A0A077Z1Z0_TRITR Loading...

Tau tubulin kinase 1

AlphaFold DB , UniProt , Accession A0A077Z1Z0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 320 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	58.2	Low	64.6	Low	223 Å²	223	111.4 Å²	111.4	100%	1.099	61%	0.611	S	S	*	*				0	-48	0	-75.3	-157.6	-84.1	0	0	114.6	A3 A4 A5	M1-A3 PolarHBondContact O-N 3.48Å; M1-A4 PolarHBondContact O-N 3.04Å; M1-A5 PolarHBondContact O-N 3.45Å
2	R	59.3	Low	64	Low	224 Å²	224	113.7 Å²	113.7	85%	0.845	61%	0.61	S	S	*	*	H	α-helix	trans	-57.8	-42.7	-178.6	-96	-179.2	174.9	177.9	-1.7	115.6	A4 A5 I6	R2-A4 PolarHBondContact O-N 3.36Å; R2-A5 PolarHBondContact O-N 3.43Å; R2-I6 WeakPolarHBondContact O-CG1 3.49Å; R2-I6 PolarHBondContact O-N 3.41Å
3	A	61.8	Low	63.3	Low	78 Å²	78	114.1 Å²	114.1	65%	0.645	60%	0.604	S	S	*	*	H	α-helix	trans	-63	-39.5	-177.9	0	0	0	0	0	113.5	M1 A5 I6 A7	M1-A3 PolarHBondContact O-N 3.48Å; A3-A5 VanDerWaalsContact C-N 3.34Å; A3-A5 PolarHBondContact O-N 3.19Å; A3-I6 PolarHBondContact O-N 3.25Å; A3-A7 PolarHBondContact O-N 3.46Å
4	A	64.9	Low	62.5	Low	72 Å²	72	113.7 Å²	113.7	60%	0.595	60%	0.597	S	S	*	*	H	α-helix	trans	-66.5	-34.9	177.2	0	0	0	0	0	112.4	M1 R2 S8	M1-A4 PolarHBondContact O-N 3.04Å; R2-A4 PolarHBondContact O-N 3.36Å; A4-S8 WeakPolarHBondContact O-CB 3.43Å; A4-S8 PolarHBondContact O-N 3.15Å
5	A	66	Low	61.3	Low	53 Å²	53	109.6 Å²	109.6	44%	0.438	58%	0.581	S	S	.	*	H	α-helix	trans	-67.3	-40.6	176.1	0	0	0	0	0	112.2	M1 R2 A3 S8 Q9	M1-A5 PolarHBondContact O-N 3.45Å; R2-A5 PolarHBondContact O-N 3.43Å; A3-A5 VanDerWaalsContact C-N 3.34Å; A3-A5 PolarHBondContact O-N 3.19Å; A5-S8 PolarHBondContact O-N 2.99Å; A5-Q9 WeakPolarHBondContact O-CG 3.42Å; A5-Q9 PolarHBondContact O-N 2.92Å
6	I	71.6	Confident	60.2	Low	98 Å²	98	109.5 Å²	109.5	50%	0.503	58%	0.578	S	S	.	*	H	α-helix	trans	-65.3	-47.6	176.5	-65.1	168.5	0	0	0	110.4	R2 A3 S8 Q9 Q10	R2-I6 WeakPolarHBondContact O-CG1 3.49Å; R2-I6 PolarHBondContact O-N 3.41Å; A3-I6 PolarHBondContact O-N 3.25Å; I6-S8 VanDerWaalsContact C-N 3.33Å; I6-S8 PolarHBondContact O-N 2.91Å; I6-Q9 PolarHBondContact O-N 3.33Å; I6-Q9 VanDerWaalsContact O-N 3.15Å; I6-Q10 WeakPolarHBondContact O-CB 3.33Å; I6-Q10 PolarHBondContact O-N 3.01Å
7	A	70.5	Confident	59.3	Low	50 Å²	50	110.8 Å²	110.8	41%	0.413	58%	0.578	S	S	.	*	H	α-helix	trans	-60.4	-41.2	177.4	0	0	0	0	0	112.4	A3 Q10 L11	A3-A7 PolarHBondContact O-N 3.46Å; A7-Q10 PolarHBondContact O-N 3.38Å; A7-L11 WeakPolarHBondContact O-CB 3.47Å; A7-L11 WeakPolarHBondContact O-CG 3.33Å; A7-L11 PolarHBondContact O-N 3.48Å
8	S	65.1	Low	58.3	Low	52 Å²	52	116.1 Å²	116.1	36%	0.364	59%	0.589	S	S	.	*	H	α-helix	trans	-63.3	-40.7	174.3	155.1	0	0	0	0	112.5	A4 A5 I6 K12	A4-S8 WeakPolarHBondContact O-CB 3.43Å; A4-S8 PolarHBondContact O-N 3.15Å; A5-S8 PolarHBondContact O-N 2.99Å; I6-S8 VanDerWaalsContact C-N 3.33Å; I6-S8 PolarHBondContact O-N 2.91Å; S8-K12 WeakPolarHBondContact O-CB 3.38Å; S8-K12 WeakPolarHBondContact O-CG 3.13Å; S8-K12 PolarHBondContact O-N 3.19Å
9	Q	66.9	Low	57.3	Low	141 Å²	141	120.8 Å²	120.8	66%	0.659	60%	0.599	S	S	*	*	H	α-helix	trans	-66.2	-39.2	175.4	-77.4	-176.3	-10.3	0	0	111.9	A5 I6 K12 F13	A5-Q9 WeakPolarHBondContact O-CG 3.42Å; A5-Q9 PolarHBondContact O-N 2.92Å; I6-Q9 PolarHBondContact O-N 3.33Å; I6-Q9 VanDerWaalsContact O-N 3.15Å; Q9-K12 PolarHBondContact O-N 2.84Å; Q9-F13 WeakPolarHBondContact O-CB 3.48Å; Q9-F13 PolarHBondContact O-N 3.16Å
10	Q	63.6	Low	56.7	Low	116 Å²	116	122.1 Å²	122.1	54%	0.542	61%	0.607	S	S	.	*	H	α-helix	trans	-68.4	-42.7	178.7	-161.7	154.4	-8.9	0	0	111.8	I6 A7 K12 F13 E14	I6-Q10 WeakPolarHBondContact O-CB 3.33Å; I6-Q10 PolarHBondContact O-N 3.01Å; A7-Q10 PolarHBondContact O-N 3.38Å; Q10-K12 PolarHBondContact O-N 3.47Å; Q10-F13 WeakPolarHBondContact O-CB 3.46Å; Q10-F13 PolarHBondContact O-N 2.87Å; Q10-F13 VanDerWaalsContact O-N 3.16Å; Q10-E14 WeakPolarHBondContact O-CG 3.48Å; Q10-E14 PolarHBondContact O-N 3.37Å
11	L	63	Low	56.4	Low	118 Å²	118	118.4 Å²	118.4	62%	0.618	59%	0.593	S	S	*	*	H	α-helix	trans	-63.1	-39.5	172.4	-76.3	167.2	0	0	0	112.4	A7 F13 S15	A7-L11 WeakPolarHBondContact O-CB 3.47Å; A7-L11 WeakPolarHBondContact O-CG 3.33Å; A7-L11 PolarHBondContact O-N 3.48Å; L11-F13 VanDerWaalsContact C-N 3.33Å; L11-S15 WeakPolarHBondContact O-CB 3.33Å; L11-S15 PolarHBondContact O-N 3.45Å
12	K	57.6	Low	56.5	Low	139 Å²	139	113.2 Å²	113.2	60%	0.604	58%	0.579	S	S	*	*	H	α-helix	trans	-65.3	-37.1	173.3	-77.9	179.3	-176.9	-178.8	0	111.8	S8 Q9 Q10 M16	S8-K12 WeakPolarHBondContact O-CB 3.38Å; S8-K12 WeakPolarHBondContact O-CG 3.13Å; S8-K12 PolarHBondContact O-N 3.19Å; Q9-K12 PolarHBondContact O-N 2.84Å; Q10-K12 PolarHBondContact O-N 3.47Å; K12-M16 WeakPolarHBondContact O-CB 3.41Å; K12-M16 PolarHBondContact O-N 2.84Å
13	F	54.8	Low	57.1	Low	119 Å²	119	109.4 Å²	109.4	52%	0.522	56%	0.564	S	S	.	*	H	α-helix	trans	-69.5	-42.5	177	-173.3	-107.6	0	0	0	112.1	Q9 Q10 L11 M16 K17	Q9-F13 WeakPolarHBondContact O-CB 3.48Å; Q9-F13 PolarHBondContact O-N 3.16Å; Q10-F13 WeakPolarHBondContact O-CB 3.46Å; Q10-F13 PolarHBondContact O-N 2.87Å; Q10-F13 VanDerWaalsContact O-N 3.16Å; L11-F13 VanDerWaalsContact C-N 3.33Å; F13-M16 WeakPolarHBondContact O-CB 3.42Å; F13-M16 PolarHBondContact O-N 2.88Å; F13-K17 HydrophobicContact CE1-CD 4.25Å; F13-K17 VanDerWaalsContact CE1-CE 3.45Å; F13-K17 PolarHBondContact O-N 3.38Å
14	E	52.3	Low	58.2	Low	109 Å²	109	110.5 Å²	110.5	51%	0.509	57%	0.565	S	S	.	*	H	α-helix	trans	-67.7	-39.4	173.6	-72.7	-169.2	172.9	0	0	112.5	Q10 M16 K17 R18	Q10-E14 WeakPolarHBondContact O-CG 3.48Å; Q10-E14 PolarHBondContact O-N 3.37Å; E14-M16 VanDerWaalsContact C-N 3.32Å; E14-M16 PolarHBondContact O-N 2.98Å; E14-K17 WeakPolarHBondContact O-CB 3.39Å; E14-K17 PolarHBondContact O-N 2.71Å; E14-R18 PolarHBondContact O-N 3.04Å
15	S	44.4	Very low	59.5	Low	52 Å²	52	111.1 Å²	111.1	36%	0.364	56%	0.563	S	S	.	*	H	α-helix	trans	-61	-40	170.7	178.9	0	0	0	0	111.5	L11 R18 R19	L11-S15 WeakPolarHBondContact O-CB 3.33Å; L11-S15 PolarHBondContact O-N 3.45Å; S15-R18 PolarHBondContact O-N 3.09Å; S15-R19 WeakPolarHBondContact O-CB 3.32Å; S15-R19 WeakPolarHBondContact O-CG 3.42Å; S15-R19 PolarHBondContact O-N 3.01Å
16	M	43.3	Very low	60.8	Low	108 Å²	108	110.5 Å²	110.5	53%	0.532	55%	0.552	S	S	.	*	H	α-helix	trans	-64.7	-41.8	173	-113.1	-176.3	-72.5	0	0	112	K12 F13 E14 R19 L20	K12-M16 WeakPolarHBondContact O-CB 3.41Å; K12-M16 PolarHBondContact O-N 2.84Å; F13-M16 WeakPolarHBondContact O-CB 3.42Å; F13-M16 PolarHBondContact O-N 2.88Å; E14-M16 VanDerWaalsContact C-N 3.32Å; E14-M16 PolarHBondContact O-N 2.98Å; M16-R19 PolarHBondContact O-N 2.83Å; M16-L20 WeakPolarHBondContact O-CB 3.36Å; M16-L20 WeakPolarHBondContact O-CD1 3.2Å; M16-L20 VanDerWaalsContact O-CG 3.31Å; M16-L20 WeakPolarHBondContact O-CG 3.36Å; M16-L20 PolarHBondContact O-N 3.41Å
17	K	44.5	Very low	61.8	Low	131 Å²	131	106 Å²	106	57%	0.57	53%	0.53	S	S	*	.	H	α-helix	trans	-60	-44.3	172.5	-78.9	-175.8	173.4	179.9	0	111.4	F13 E14 L20 S21	F13-K17 HydrophobicContact CE1-CD 4.25Å; F13-K17 VanDerWaalsContact CE1-CE 3.45Å; F13-K17 PolarHBondContact O-N 3.38Å; E14-K17 WeakPolarHBondContact O-CB 3.39Å; E14-K17 PolarHBondContact O-N 2.71Å; K17-L20 PolarHBondContact O-N 3.29Å; K17-S21 PolarHBondContact O-N 3.07Å
18	R	41.5	Very low	63	Low	206 Å²	206	108.2 Å²	108.2	78%	0.777	53%	0.534	S	S	*	.	H	α-helix	trans	-62.9	-41.4	173.7	-88.3	-179.9	97.7	169.6	5.7	112.6	E14 S15 L20 S21	E14-R18 PolarHBondContact O-N 3.04Å; S15-R18 PolarHBondContact O-N 3.09Å; R18-L20 VanDerWaalsContact C-N 3.3Å; R18-L20 PolarHBondContact O-N 2.85Å; R18-S21 CarbonylContact O-C 3.47Å; R18-S21 PolarHBondContact O-N 2.65Å; R18-S21 PolarHBondContact O-OG 3.09Å
19	R	38.8	Very low	64.5	Low	207 Å²	207	112 Å²	112	78%	0.781	55%	0.549	S	S	*	.	H	α-helix	trans	-68.9	-27.7	178	-78.6	-180	169.2	-167.9	-2.4	112.8	S15 M16	S15-R19 WeakPolarHBondContact O-CB 3.32Å; S15-R19 WeakPolarHBondContact O-CG 3.42Å; S15-R19 PolarHBondContact O-N 3.01Å; M16-R19 PolarHBondContact O-N 2.83Å
20	L	45.6	Very low	65.9	Low	145 Å²	145	107.3 Å²	107.3	76%	0.759	54%	0.539	S	S	*	.	H	α-helix	trans	-79.3	-17.7	173.7	-74.6	162.2	0	0	0	112.9	M16 K17 R18	M16-L20 WeakPolarHBondContact O-CB 3.36Å; M16-L20 WeakPolarHBondContact O-CD1 3.2Å; M16-L20 VanDerWaalsContact O-CG 3.31Å; M16-L20 WeakPolarHBondContact O-CG 3.36Å; M16-L20 PolarHBondContact O-N 3.41Å; K17-L20 PolarHBondContact O-N 3.29Å; R18-L20 VanDerWaalsContact C-N 3.3Å; R18-L20 PolarHBondContact O-N 2.85Å
21	S	49.9	Very low	67.5	Low	46 Å²	46	103 Å²	103	32%	0.322	52%	0.519	S	S	.	.			trans	-107	70.4	171.8	71.3	0	0	0	0	111.3	K17 R18 R23	K17-S21 PolarHBondContact O-N 3.07Å; R18-S21 CarbonylContact O-C 3.47Å; R18-S21 PolarHBondContact O-N 2.65Å; R18-S21 PolarHBondContact O-OG 3.09Å; S21-R23 PolarHBondContact O-N 3.22Å; S21-R23 VanDerWaalsContact O-N 3.15Å
22	S	60.7	Low	69.1	Low	113 Å²	113	101 Å²	101	79%	0.79	51%	0.508	S	S	*	.			trans	-67.2	-7.8	174.1	58.7	0	0	0	0	114
23	R	72.2	Confident	71	Confident	145 Å²	145	94.4 Å²	94.4	55%	0.547	48%	0.479	S	S	.	.	S	Bend	trans	-101.7	135.5	179.3	-67.5	-177.3	178.1	172.3	-0.7	110.8	S21 G47	S21-R23 PolarHBondContact O-N 3.22Å; S21-R23 VanDerWaalsContact O-N 3.15Å; R23-G47 PolarHBondContact NH1-O 3.41Å
24	P	85.7	Confident	72.9	Confident	100 Å²	100	94.3 Å²	94.3	65%	0.649	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-60.4	151.2	174	27.3	-34.4	0	0	0	110.8	Q50	P24-Q50 PolarHBondContact O-NE2 2.9Å
25	P	90.9	Very high	74.9	Confident	86 Å²	86	97.9 Å²	97.9	56%	0.558	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-62.1	137.3	175.6	26.7	-33.6	0	0	0	110.9
26	L	93	Very high	77.5	Confident	40 Å²	40	97.9 Å²	97.9	21%	0.209	49%	0.488	C	S	.	.	S	Bend	trans	-81.7	-20	175.2	-62.6	179.2	0	0	0	112.9	Q50 Y52 M67	L26-Q50 HydrophobicContact CD1-CG 4.45Å; L26-Y52 PolarHBondContact N-OH 3.48Å; L26-M67 HydrophobicContact CB-CB 4.3Å; L26-M67 HydrophobicContact CB-SD 4.45Å; L26-M67 HydrophobicContact CD1-CB 3.87Å
27	A	94.4	Very high	80.1	Confident	4 Å²	4	93.4 Å²	93.4	3%	0.033	47%	0.465	C	S	.	.	S	Bend	trans	-142	146.5	172.1	0	0	0	0	0	110.3	I33 V39 Y52 M67	A27-I33 HydrophobicContact CB-CD1 4.49Å; A27-V39 HydrophobicContact CB-CG2 4.05Å; A27-Y52 HydrophobicContact CB-CE1 4.38Å; A27-Y52 HydrophobicContact CB-CE2 4.32Å; A27-Y52 PolarHBondContact N-OH 3.28Å; A27-Y52 WeakPolarHBondContact O-CE1 3.44Å; A27-Y52 PolarHBondContact O-OH 2.85Å; A27-M67 HydrophobicContact CB-SD 3.79Å
28	N	95.2	Very high	82.6	Confident	95 Å²	95	90.6 Å²	90.6	51%	0.508	45%	0.453	S	S	.	.			trans	-89.7	151.9	178.1	-64.2	-42.8	0	0	0	111.3	G30 E31 V39	N28-G30 PolarHBondContact O-N 2.99Å; N28-E31 HydrophobicContact CB-CB 4.3Å; N28-E31 PolarHBondContact N-OE2 3.4Å; N28-E31 WeakPolarHBondContact O-CB 3.36Å; N28-E31 PolarHBondContact O-N 3.46Å; N28-E31 VanDerWaalsContact O-N 3.09Å; N28-V39 WeakPolarHBondContact O-CB 3.04Å; N28-V39 WeakPolarHBondContact O-CG1 3.28Å
29	I	95.9	Very high	85.3	Confident	131 Å²	131	80.8 Å²	80.8	67%	0.672	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	135.5	170.1	-63.6	171.4	0	0	0	108.9	E31 V40	I29-E31 VanDerWaalsContact C-N 3.25Å; I29-E31 PolarHBondContact O-N 2.68Å; I29-V40 VanDerWaalsContact CG2-O 3.23Å; I29-V40 WeakPolarHBondContact CG2-O 3.41Å
30	G	96.1	Very high	88.2	Confident	44 Å²	44	73 Å²	73	45%	0.454	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-5.5	-173.2	0	0	0	0	0	114.2	N28 V39	N28-G30 PolarHBondContact O-N 2.99Å; G30-V39 PolarHBondContact N-O 2.85Å
31	E	97.1	Very high	90.6	Very high	25 Å²	25	70.5 Å²	70.5	12%	0.117	38%	0.376	C	S	.	.			trans	-70.6	131.7	176.9	-172.4	169.3	174.6	0	0	111.1	N28 I29 V39 W102 K103	N28-E31 HydrophobicContact CB-CB 4.3Å; N28-E31 PolarHBondContact N-OE2 3.4Å; N28-E31 WeakPolarHBondContact O-CB 3.36Å; N28-E31 PolarHBondContact O-N 3.46Å; N28-E31 VanDerWaalsContact O-N 3.09Å; I29-E31 VanDerWaalsContact C-N 3.25Å; I29-E31 PolarHBondContact O-N 2.68Å; E31-V39 WeakPolarHBondContact O-CG2 3.12Å; E31-V39 PolarHBondContact O-N 3.06Å; E31-W102 PolarHBondContact OE1-NE1 2.77Å; E31-K103 WeakPolarHBondContact OE1-CE 3.48Å; E31-K103 IonicContact OE1-NZ 3.25Å; E31-K103 PolarHBondContact OE1-NZ 3.18Å; E31-K103 IonicContact OE2-NZ 2.64Å; E31-K103 PolarHBondContact OE2-NZ 2.9Å
32	I	97.3	Very high	92.7	Very high	77 Å²	77	71 Å²	71	40%	0.395	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	106.1	177.7	-54	177.9	0	0	0	109.4	K34 E38 I57	I32-K34 PolarHBondContact O-N 3.28Å; I32-E38 HydrophobicContact CG1-CB 4.25Å; I32-E38 HydrophobicContact CG1-CG 4.34Å; I32-I57 HydrophobicContact CD1-CD1 4.37Å; I32-I57 HydrophobicContact CG2-CD1 4.05Å
33	I	96.9	Very high	94.3	Very high	0 Å²	0	69.4 Å²	69.4	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	124.3	177.4	-60.2	179.3	0	0	0	109	A27 E35 R36 W37 V39 I65 M67 W102 Y107	A27-I33 HydrophobicContact CB-CD1 4.49Å; I33-E35 PolarHBondContact O-N 3.25Å; I33-R36 PolarHBondContact O-N 2.61Å; I33-R36 VanDerWaalsContact O-N 3.09Å; I33-W37 HydrophobicContact CB-CB 4.48Å; I33-W37 HydrophobicContact CB-CE3 4.44Å; I33-W37 HydrophobicContact CG2-CE3 4.16Å; I33-W37 PolarHBondContact N-O 3.34Å; I33-W37 PolarHBondContact O-N 3.17Å; I33-V39 HydrophobicContact CD1-CG2 3.94Å; I33-V39 HydrophobicContact CG1-CG2 4.21Å; I33-I65 HydrophobicContact CD1-CD1 3.95Å; I33-I65 HydrophobicContact CD1-CG2 4.35Å; I33-M67 HydrophobicContact CD1-CE 4.15Å; I33-M67 HydrophobicContact CD1-SD 3.95Å; I33-W102 HydrophobicContact CB-CD2 4.39Å; I33-W102 HydrophobicContact CG1-CD2 4.41Å; I33-W102 HydrophobicContact CG1-CG 4.25Å; I33-W102 HydrophobicContact CG2-CB 4.09Å; I33-W102 HydrophobicContact CG2-CD2 3.89Å; I33-W102 HydrophobicContact CG2-CE3 4.14Å; I33-W102 HydrophobicContact CG2-CG 3.87Å; I33-Y107 HydrophobicContact CG2-CD1 4.29Å; I33-Y107 HydrophobicContact CG2-CE1 4.12Å
34	K	94.9	Very high	95	Very high	117 Å²	117	63.8 Å²	63.8	51%	0.509	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	41.7	177.3	-68.2	-71	-171.5	178.5	0	113	I32 R36 W37 E101 W102 Y107	I32-K34 PolarHBondContact O-N 3.28Å; K34-R36 PolarHBondContact O-N 2.83Å; K34-W37 HydrophobicContact CB-CE3 4.39Å; K34-W37 HydrophobicContact CB-CZ3 4.08Å; K34-E101 WeakPolarHBondContact CE-O 3.24Å; K34-W102 HydrophobicContact CD-CE3 4.15Å; K34-W102 HydrophobicContact CD-CZ3 4.15Å; K34-W102 HydrophobicContact CG-CE3 4.01Å; K34-W102 HydrophobicContact CG-CZ3 4.23Å; K34-Y107 HydrophobicContact CG-CE1 4.39Å
35	E	95.3	Very high	94.6	Very high	184 Å²	184	63.6 Å²	63.6	86%	0.86	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	17.8	177.7	-58.6	173.7	-175.3	0	0	114.4	I33	I33-E35 PolarHBondContact O-N 3.25Å
36	R	97.7	Very high	93.5	Very high	52 Å²	52	61.6 Å²	61.6	20%	0.196	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.4	-42.4	-171.6	-179.2	174.6	172.3	-166.2	-8.4	114.3	I33 K34 D56 I57 K58	I33-R36 PolarHBondContact O-N 2.61Å; I33-R36 VanDerWaalsContact O-N 3.09Å; K34-R36 PolarHBondContact O-N 2.83Å; R36-D56 WeakPolarHBondContact CG-OD1 3.35Å; R36-D56 IonicContact CZ-OD1 3.77Å; R36-D56 IonicContact CZ-OD2 3.33Å; R36-D56 IonicContact NE-OD1 3.43Å; R36-D56 PolarHBondContact NE-OD1 3.4Å; R36-D56 IonicContact NE-OD2 2.7Å; R36-D56 PolarHBondContact NE-OD2 3.32Å; R36-D56 IonicContact NH2-OD1 3.7Å; R36-D56 IonicContact NH2-OD2 2.71Å; R36-D56 PolarHBondContact NH2-OD2 2.72Å; R36-I57 WeakPolarHBondContact O-CB 3.36Å; R36-I57 VanDerWaalsContact O-CG1 3.32Å; R36-I57 WeakPolarHBondContact O-CG1 3.48Å; R36-I57 PolarHBondContact O-N 2.79Å; R36-K58 HydrophobicContact CG-CB 4.23Å
37	W	98.2	Very high	92.3	Very high	13 Å²	13	62.6 Å²	62.6	5%	0.049	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	103.5	-172.7	-54.8	-73.9	0	0	0	111.1	I33 K34 A54 N55 D56 I65 Y107 V109	I33-W37 HydrophobicContact CB-CB 4.48Å; I33-W37 HydrophobicContact CB-CE3 4.44Å; I33-W37 HydrophobicContact CG2-CE3 4.16Å; I33-W37 PolarHBondContact N-O 3.34Å; I33-W37 PolarHBondContact O-N 3.17Å; K34-W37 HydrophobicContact CB-CE3 4.39Å; K34-W37 HydrophobicContact CB-CZ3 4.08Å; W37-A54 HydrophobicContact CB-CB 4.47Å; W37-N55 WeakPolarHBondContact CA-O 3.48Å; W37-D56 PolarHBondContact NE1-OD2 3.08Å; W37-I65 HydrophobicContact CB-CD1 3.67Å; W37-I65 HydrophobicContact CG-CD1 4.35Å; W37-Y107 HydrophobicContact CE3-CE2 4.21Å; W37-Y107 HydrophobicContact CH2-CE2 4.1Å; W37-Y107 AromaticContact CZ3-CE2 3.62Å; W37-Y107 HydrophobicContact CZ3-CE2 3.62Å; W37-Y107 AromaticContact CZ3-CZ 3.83Å; W37-Y107 WeakPolarHBondContact CZ3-OH 3.42Å; W37-V109 HydrophobicContact CD2-CG2 3.89Å; W37-V109 HydrophobicContact CE3-CG2 4.15Å; W37-V109 HydrophobicContact CG-CG2 4.42Å; W37-V109 HydrophobicContact CH2-CG2 4.16Å; W37-V109 HydrophobicContact CZ2-CB 4.38Å; W37-V109 HydrophobicContact CZ2-CG2 3.9Å; W37-V109 HydrophobicContact CZ3-CG2 4.29Å
38	E	98.3	Very high	91.3	Very high	72 Å²	72	64.6 Å²	64.6	34%	0.336	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	117.1	177.5	-178.8	-168	-157.5	0	0	110	I32 V40 A54 N55 I57	I32-E38 HydrophobicContact CG1-CB 4.25Å; I32-E38 HydrophobicContact CG1-CG 4.34Å; E38-V40 PolarHBondContact O-N 3.36Å; E38-A54 CarbonylContact O-C 3.5Å; E38-A54 WeakPolarHBondContact O-CA 3.4Å; E38-A54 WeakPolarHBondContact O-CB 3.09Å; E38-N55 HydrophobicContact CB-CB 4.47Å; E38-N55 PolarHBondContact N-O 3.44Å; E38-N55 PolarHBondContact O-N 2.99Å; E38-N55 PolarHBondContact OE2-ND2 3.27Å; E38-I57 HydrophobicContact CB-CD1 4.38Å
39	V	98.3	Very high	90.8	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.006	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	123.5	178.9	175.7	0	0	0	0	109.9	A27 N28 G30 E31 I33 Y52	A27-V39 HydrophobicContact CB-CG2 4.05Å; N28-V39 WeakPolarHBondContact O-CB 3.04Å; N28-V39 WeakPolarHBondContact O-CG1 3.28Å; G30-V39 PolarHBondContact N-O 2.85Å; E31-V39 WeakPolarHBondContact O-CG2 3.12Å; E31-V39 PolarHBondContact O-N 3.06Å; I33-V39 HydrophobicContact CD1-CG2 3.94Å; I33-V39 HydrophobicContact CG1-CG2 4.21Å; V39-Y52 HydrophobicContact CG1-CD1 3.68Å; V39-Y52 HydrophobicContact CG1-CE1 4.37Å; V39-Y52 HydrophobicContact CG1-CG 4.17Å
40	V	97.9	Very high	90.7	Very high	43 Å²	43	54.8 Å²	54.8	26%	0.261	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-48.5	-177.8	-178.9	0	0	0	0	111.5	I29 E38 R53 N55	I29-V40 VanDerWaalsContact CG2-O 3.23Å; I29-V40 WeakPolarHBondContact CG2-O 3.41Å; E38-V40 PolarHBondContact O-N 3.36Å; V40-R53 PolarHBondContact N-O 3.31Å; V40-N55 WeakPolarHBondContact CG2-ND2 3.34Å
41	E	96.6	Very high	90.7	Very high	93 Å²	93	54.2 Å²	54.2	44%	0.435	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	157.7	-177.8	58.7	176	174	0	0	111.8	I43 Y52 R53	E41-I43 HydrophobicContact CG-CG2 3.92Å; E41-Y52 CarbonylContact O-C 3.48Å; E41-Y52 VanDerWaalsContact O-CA 3.24Å; E41-Y52 WeakPolarHBondContact O-CA 3.4Å; E41-R53 HydrophobicContact CG-CB 3.8Å; E41-R53 PolarHBondContact N-O 3.19Å; E41-R53 PolarHBondContact O-N 3.09Å; E41-R53 WeakPolarHBondContact OE1-CD 3.45Å
42	A	94.8	Very high	90.7	Very high	55 Å²	55	53.2 Å²	53.2	46%	0.455	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	123.6	169.5	0	0	0	0	0	110.1	Y52	A42-Y52 HydrophobicContact CB-CD1 4.05Å; A42-Y52 HydrophobicContact CB-CE1 4Å
43	I	93	Very high	90.7	Very high	81 Å²	81	52.9 Å²	52.9	42%	0.415	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-12.4	-177.4	61.6	174.2	0	0	0	113.6	E41 V51 R53 L112	E41-I43 HydrophobicContact CG-CG2 3.92Å; I43-V51 HydrophobicContact CD1-CG1 3.91Å; I43-V51 HydrophobicContact CG1-CB 4.16Å; I43-V51 HydrophobicContact CG1-CG1 3.79Å; I43-V51 WeakPolarHBondContact CG1-O 3.27Å; I43-V51 PolarHBondContact N-O 3.32Å; I43-R53 HydrophobicContact CD1-CB 4.35Å; I43-R53 HydrophobicContact CG2-CB 3.71Å; I43-L112 HydrophobicContact CD1-CD1 3.8Å
44	G	87	Confident	90.8	Very high	26 Å²	26	52.9 Å²	52.9	27%	0.268	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	136.1	177	0	0	0	0	0	113.3	Q50 V51	G44-Q50 CarbonylContact O-C 3.58Å; G44-Q50 WeakPolarHBondContact O-CA 3.21Å; G44-V51 PolarHBondContact N-O 3.22Å; G44-V51 VanDerWaalsContact N-O 3.08Å; G44-V51 PolarHBondContact O-N 2.8Å
45	N	78.1	Confident	90.9	Very high	96 Å²	96	49.7 Å²	49.7	51%	0.513	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	108.4	172.2	-70.1	-44.9	0	0	0	108.1	Q50	N45-Q50 WeakPolarHBondContact OD1-CG 3.45Å
46	G	67.8	Low	91.1	Very high	45 Å²	45	41 Å²	41	46%	0.464	24%	0.244	S	C	.	.			trans	-113.9	173.1	-177.5	0	0	0	0	0	113	F48 G49	G46-F48 PolarHBondContact O-N 2.69Å; G46-G49 PolarHBondContact N-O 3.45Å; G46-G49 PolarHBondContact O-N 2.83Å; G46-G49 VanDerWaalsContact O-O 3.12Å
47	G	68.4	Low	91.1	Very high	61 Å²	61	42.6 Å²	42.6	63%	0.629	26%	0.255	S	S	*	.	S	Bend	trans	-63	-30.5	175.6	0	0	0	0	0	113.4	R23	R23-G47 PolarHBondContact NH1-O 3.41Å
48	F	72.1	Confident	91	Very high	46 Å²	46	50 Å²	50	20%	0.202	29%	0.288	C	S	.	.	S	Bend	trans	-92.8	-11.9	-175.1	-58.3	-68.3	0	0	0	114.4	G46 C76 L182	G46-F48 PolarHBondContact O-N 2.69Å; F48-C76 WeakPolarHBondContact CD1-SG 3.5Å; F48-L182 HydrophobicContact CE1-CD2 4.1Å; F48-L182 HydrophobicContact CE1-CG 4.45Å; F48-L182 HydrophobicContact CE2-CG 4.4Å; F48-L182 HydrophobicContact CZ-CD1 4.19Å; F48-L182 HydrophobicContact CZ-CD2 3.78Å; F48-L182 HydrophobicContact CZ-CG 3.72Å
49	G	86	Confident	90.9	Very high	8 Å²	8	52.9 Å²	52.9	8%	0.082	30%	0.295	C	S	.	.			trans	161.8	-171	-174.5	0	0	0	0	0	113.3	G46 M67	G46-G49 PolarHBondContact N-O 3.45Å; G46-G49 PolarHBondContact O-N 2.83Å; G46-G49 VanDerWaalsContact O-O 3.12Å; G49-M67 CarbonylContact C-O 3.39Å; G49-M67 WeakPolarHBondContact CA-O 3.32Å
50	Q	93.2	Very high	90.8	Very high	11 Å²	11	62.1 Å²	62.1	5%	0.051	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	143.8	178.1	-62.8	173.6	2.3	0	0	109.1	P24 L26 G44 N45 Y52 K66 M67	P24-Q50 PolarHBondContact O-NE2 2.9Å; L26-Q50 HydrophobicContact CD1-CG 4.45Å; G44-Q50 CarbonylContact O-C 3.58Å; G44-Q50 WeakPolarHBondContact O-CA 3.21Å; N45-Q50 WeakPolarHBondContact OD1-CG 3.45Å; Q50-Y52 HydrophobicContact CB-CE2 3.68Å; Q50-Y52 PolarHBondContact OE1-OH 2.66Å; Q50-K66 CarbonylContact O-C 3.5Å; Q50-K66 WeakPolarHBondContact O-CA 3.27Å; Q50-M67 PolarHBondContact N-O 3.43Å; Q50-M67 PolarHBondContact O-N 3.48Å
51	V	95.3	Very high	90.7	Very high	32 Å²	32	63.4 Å²	63.4	19%	0.194	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.5	179.6	-171	0	0	0	0	108.7	I43 G44 A64 I65 K66	I43-V51 HydrophobicContact CD1-CG1 3.91Å; I43-V51 HydrophobicContact CG1-CB 4.16Å; I43-V51 HydrophobicContact CG1-CG1 3.79Å; I43-V51 WeakPolarHBondContact CG1-O 3.27Å; I43-V51 PolarHBondContact N-O 3.32Å; G44-V51 PolarHBondContact N-O 3.22Å; G44-V51 VanDerWaalsContact N-O 3.08Å; G44-V51 PolarHBondContact O-N 2.8Å; V51-A64 HydrophobicContact CG1-CB 4.33Å; V51-I65 CarbonylContact C-O 3.55Å; V51-I65 VanDerWaalsContact CA-O 3.32Å; V51-I65 WeakPolarHBondContact CA-O 3.48Å; V51-K66 HydrophobicContact CG2-CB 4.27Å; V51-K66 HydrophobicContact CG2-CD 4.5Å; V51-K66 HydrophobicContact CG2-CG 4.04Å
52	Y	97.2	Very high	90.7	Very high	5 Å²	5	60.6 Å²	60.6	2%	0.02	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	144.4	-179	-61.7	-91.7	0	0	0	110.4	L26 A27 V39 E41 A42 Q50 A64 I65 M67	L26-Y52 PolarHBondContact N-OH 3.48Å; A27-Y52 HydrophobicContact CB-CE1 4.38Å; A27-Y52 HydrophobicContact CB-CE2 4.32Å; A27-Y52 PolarHBondContact N-OH 3.28Å; A27-Y52 WeakPolarHBondContact O-CE1 3.44Å; A27-Y52 PolarHBondContact O-OH 2.85Å; V39-Y52 HydrophobicContact CG1-CD1 3.68Å; V39-Y52 HydrophobicContact CG1-CE1 4.37Å; V39-Y52 HydrophobicContact CG1-CG 4.17Å; E41-Y52 CarbonylContact O-C 3.48Å; E41-Y52 VanDerWaalsContact O-CA 3.24Å; E41-Y52 WeakPolarHBondContact O-CA 3.4Å; A42-Y52 HydrophobicContact CB-CD1 4.05Å; A42-Y52 HydrophobicContact CB-CE1 4Å; Q50-Y52 HydrophobicContact CB-CE2 3.68Å; Q50-Y52 PolarHBondContact OE1-OH 2.66Å; Y52-A64 CarbonylContact O-C 3.48Å; Y52-A64 VanDerWaalsContact O-CA 3.31Å; Y52-A64 WeakPolarHBondContact O-CA 3.46Å; Y52-I65 PolarHBondContact N-O 2.9Å; Y52-I65 PolarHBondContact O-N 3.28Å; Y52-M67 HydrophobicContact CD2-CG 4.33Å; Y52-M67 HydrophobicContact CD2-SD 4.17Å; Y52-M67 HydrophobicContact CE2-CG 4.37Å; Y52-M67 HydrophobicContact CE2-SD 4.03Å
53	R	97.7	Very high	90.9	Very high	69 Å²	69	58 Å²	58	26%	0.26	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	134.6	159.5	179	-179.7	178.9	-76.2	-4.9	107.7	V40 E41 I43 L112	V40-R53 PolarHBondContact N-O 3.31Å; E41-R53 HydrophobicContact CG-CB 3.8Å; E41-R53 PolarHBondContact N-O 3.19Å; E41-R53 PolarHBondContact O-N 3.09Å; E41-R53 WeakPolarHBondContact OE1-CD 3.45Å; I43-R53 HydrophobicContact CD1-CB 4.35Å; I43-R53 HydrophobicContact CG2-CB 3.71Å; R53-L112 HydrophobicContact CG-CD1 4.41Å; R53-L112 HydrophobicContact CG-CD2 4.02Å
54	A	98.4	Very high	91.1	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	161.1	177.4	0	0	0	0	0	111.5	W37 E38 A62 V63 I65	W37-A54 HydrophobicContact CB-CB 4.47Å; E38-A54 CarbonylContact O-C 3.5Å; E38-A54 WeakPolarHBondContact O-CA 3.4Å; E38-A54 WeakPolarHBondContact O-CB 3.09Å; A54-A62 CarbonylContact O-C 3.45Å; A54-A62 WeakPolarHBondContact O-CA 3.35Å; A54-V63 HydrophobicContact CB-CG2 3.96Å; A54-V63 PolarHBondContact N-O 2.91Å; A54-V63 PolarHBondContact O-N 2.89Å; A54-I65 HydrophobicContact CB-CD1 3.44Å; A54-I65 VanDerWaalsContact CB-CD1 3.44Å; A54-I65 HydrophobicContact CB-CG1 3.78Å
55	N	98.3	Very high	91.6	Very high	51 Å²	51	53.1 Å²	53.1	27%	0.273	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	123.3	169.5	-59.1	-38.1	0	0	0	108.9	W37 E38 V40 I57	W37-N55 WeakPolarHBondContact CA-O 3.48Å; E38-N55 HydrophobicContact CB-CB 4.47Å; E38-N55 PolarHBondContact N-O 3.44Å; E38-N55 PolarHBondContact O-N 2.99Å; E38-N55 PolarHBondContact OE2-ND2 3.27Å; V40-N55 WeakPolarHBondContact CG2-ND2 3.34Å; N55-I57 PolarHBondContact O-N 2.9Å
56	D	98.3	Very high	92.4	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	101.8	166.9	-172.7	-27.7	0	0	0	108.5	R36 W37 K58 R59 K60 M61 V63	R36-D56 WeakPolarHBondContact CG-OD1 3.35Å; R36-D56 IonicContact CZ-OD1 3.77Å; R36-D56 IonicContact CZ-OD2 3.33Å; R36-D56 IonicContact NE-OD1 3.43Å; R36-D56 PolarHBondContact NE-OD1 3.4Å; R36-D56 IonicContact NE-OD2 2.7Å; R36-D56 PolarHBondContact NE-OD2 3.32Å; R36-D56 IonicContact NH2-OD1 3.7Å; R36-D56 IonicContact NH2-OD2 2.71Å; R36-D56 PolarHBondContact NH2-OD2 2.72Å; W37-D56 PolarHBondContact NE1-OD2 3.08Å; D56-K58 PolarHBondContact O-N 3.39Å; D56-K58 PolarHBondContact OD1-N 3.29Å; D56-K58 VanDerWaalsContact OD1-N 3.15Å; D56-R59 HydrophobicContact CB-CB 4.21Å; D56-R59 PolarHBondContact O-N 3.38Å; D56-R59 PolarHBondContact OD1-N 3.17Å; D56-K60 WeakPolarHBondContact O-CA 3.15Å; D56-K60 PolarHBondContact O-N 2.75Å; D56-M61 HydrophobicContact CB-CG 4.27Å; D56-M61 PolarHBondContact N-O 2.75Å; D56-M61 PolarHBondContact O-N 3.33Å; D56-V63 HydrophobicContact CB-CG1 3.87Å; D56-V63 HydrophobicContact CB-CG2 4.42Å
57	I	97.4	Very high	93.7	Very high	85 Å²	85	47.2 Å²	47.2	44%	0.436	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-38.1	-176.2	-61.3	165.7	0	0	0	110.7	I32 R36 E38 N55	I32-I57 HydrophobicContact CD1-CD1 4.37Å; I32-I57 HydrophobicContact CG2-CD1 4.05Å; R36-I57 WeakPolarHBondContact O-CB 3.36Å; R36-I57 VanDerWaalsContact O-CG1 3.32Å; R36-I57 WeakPolarHBondContact O-CG1 3.48Å; R36-I57 PolarHBondContact O-N 2.79Å; E38-I57 HydrophobicContact CB-CD1 4.38Å; N55-I57 PolarHBondContact O-N 2.9Å
58	K	96.6	Very high	94.9	Very high	170 Å²	170	44.4 Å²	44.4	74%	0.739	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-43.7	-178.6	-176.2	174.9	-178.2	173.2	0	111.7	R36 D56	R36-K58 HydrophobicContact CG-CB 4.23Å; D56-K58 PolarHBondContact O-N 3.39Å; D56-K58 PolarHBondContact OD1-N 3.29Å; D56-K58 VanDerWaalsContact OD1-N 3.15Å
59	R	95.9	Very high	95.8	Very high	131 Å²	131	43.6 Å²	43.6	49%	0.494	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-5.7	-178.9	-67.5	-174.5	171.8	175.4	-2.6	113.9	D56 M61	D56-R59 HydrophobicContact CB-CB 4.21Å; D56-R59 PolarHBondContact O-N 3.38Å; D56-R59 PolarHBondContact OD1-N 3.17Å; R59-M61 VanDerWaalsContact C-N 3.27Å; R59-M61 HydrophobicContact CB-CG 3.81Å; R59-M61 HydrophobicContact CB-SD 4.01Å; R59-M61 PolarHBondContact O-N 3.44Å
60	K	96.1	Very high	95.9	Very high	196 Å²	196	46.9 Å²	46.9	85%	0.852	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	45	-176.7	-59.5	-175.6	178.7	-178.1	0	112.7	D56	D56-K60 WeakPolarHBondContact O-CA 3.15Å; D56-K60 PolarHBondContact O-N 2.75Å
61	M	96.2	Very high	95.6	Very high	70 Å²	70	53.5 Å²	53.5	35%	0.345	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	155.4	-178	68.7	179.8	-67.6	0	0	111.9	D56 R59 V63 Y97	D56-M61 HydrophobicContact CB-CG 4.27Å; D56-M61 PolarHBondContact N-O 2.75Å; D56-M61 PolarHBondContact O-N 3.33Å; R59-M61 VanDerWaalsContact C-N 3.27Å; R59-M61 HydrophobicContact CB-CG 3.81Å; R59-M61 HydrophobicContact CB-SD 4.01Å; R59-M61 PolarHBondContact O-N 3.44Å; M61-V63 HydrophobicContact CG-CG1 4.16Å; M61-Y97 HydrophobicContact CE-CE2 3.94Å; M61-Y97 VanDerWaalsContact CE-OH 3.3Å; M61-Y97 WeakPolarHBondContact CE-OH 3.33Å; M61-Y97 HydrophobicContact SD-CE2 4.5Å
62	A	97.1	Very high	95	Very high	33 Å²	33	53.5 Å²	53.5	27%	0.273	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	140.9	172.3	0	0	0	0	0	111	A54 L112	A54-A62 CarbonylContact O-C 3.45Å; A54-A62 WeakPolarHBondContact O-CA 3.35Å; A62-L112 HydrophobicContact CB-CD2 3.71Å
63	V	97.8	Very high	93.8	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	163.7	-179.6	-58.6	0	0	0	0	110.4	A54 D56 M61 I65 Y97 V109	A54-V63 HydrophobicContact CB-CG2 3.96Å; A54-V63 PolarHBondContact N-O 2.91Å; A54-V63 PolarHBondContact O-N 2.89Å; D56-V63 HydrophobicContact CB-CG1 3.87Å; D56-V63 HydrophobicContact CB-CG2 4.42Å; M61-V63 HydrophobicContact CG-CG1 4.16Å; V63-I65 HydrophobicContact CG2-CG1 4.44Å; V63-Y97 HydrophobicContact CB-CD2 4.19Å; V63-Y97 HydrophobicContact CB-CE2 4.4Å; V63-Y97 HydrophobicContact CG1-CD2 3.59Å; V63-Y97 HydrophobicContact CG1-CE2 3.69Å; V63-V109 HydrophobicContact CB-CG1 3.87Å; V63-V109 HydrophobicContact CG1-CG1 4.35Å; V63-V109 HydrophobicContact CG2-CG1 3.67Å
64	A	97.4	Very high	92.5	Very high	6 Å²	6	69.7 Å²	69.7	5%	0.05	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	136.3	168.4	0	0	0	0	0	110	V51 Y52 V109 M110 L112	V51-A64 HydrophobicContact CG1-CB 4.33Å; Y52-A64 CarbonylContact O-C 3.48Å; Y52-A64 VanDerWaalsContact O-CA 3.31Å; Y52-A64 WeakPolarHBondContact O-CA 3.46Å; A64-V109 WeakPolarHBondContact O-CA 3.47Å; A64-M110 HydrophobicContact CB-CG 4.09Å; A64-M110 PolarHBondContact N-O 3.31Å; A64-M110 PolarHBondContact O-N 3.37Å; A64-L112 HydrophobicContact CB-CD1 4.09Å
65	I	97.4	Very high	91.4	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	113.2	174.4	-50.8	-177.7	0	0	0	108.6	I33 W37 V51 Y52 A54 V63 M67 Y107 M108 V109	I33-I65 HydrophobicContact CD1-CD1 3.95Å; I33-I65 HydrophobicContact CD1-CG2 4.35Å; W37-I65 HydrophobicContact CB-CD1 3.67Å; W37-I65 HydrophobicContact CG-CD1 4.35Å; V51-I65 CarbonylContact C-O 3.55Å; V51-I65 VanDerWaalsContact CA-O 3.32Å; V51-I65 WeakPolarHBondContact CA-O 3.48Å; Y52-I65 PolarHBondContact N-O 2.9Å; Y52-I65 PolarHBondContact O-N 3.28Å; A54-I65 HydrophobicContact CB-CD1 3.44Å; A54-I65 VanDerWaalsContact CB-CD1 3.44Å; A54-I65 HydrophobicContact CB-CG1 3.78Å; V63-I65 HydrophobicContact CG2-CG1 4.44Å; I65-M67 HydrophobicContact CG2-CG 3.77Å; I65-M67 HydrophobicContact CG2-SD 4.3Å; I65-Y107 HydrophobicContact CG2-CD2 4.49Å; I65-M108 CarbonylContact C-O 3.52Å; I65-M108 WeakPolarHBondContact CA-O 3.31Å; I65-V109 HydrophobicContact CG1-CG1 4.41Å; I65-V109 HydrophobicContact CG1-CG2 4.26Å
66	K	95.7	Very high	90.8	Very high	15 Å²	15	70.7 Å²	70.7	7%	0.065	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	129.5	169.8	-172	172.3	-166.7	-172.8	0	108.7	Q50 V51 L77 E80 Y107 M108 M110 D179	Q50-K66 CarbonylContact O-C 3.5Å; Q50-K66 WeakPolarHBondContact O-CA 3.27Å; V51-K66 HydrophobicContact CG2-CB 4.27Å; V51-K66 HydrophobicContact CG2-CD 4.5Å; V51-K66 HydrophobicContact CG2-CG 4.04Å; K66-L77 HydrophobicContact CB-CD1 4.19Å; K66-L77 HydrophobicContact CD-CD1 3.73Å; K66-L77 HydrophobicContact CG-CD1 3.81Å; K66-E80 WeakPolarHBondContact CE-OE2 3.4Å; K66-E80 IonicContact NZ-OE1 2.72Å; K66-E80 PolarHBondContact NZ-OE1 3.39Å; K66-E80 IonicContact NZ-OE2 3.46Å; K66-E80 PolarHBondContact NZ-OE2 3.45Å; K66-Y107 CarbonylContact O-C 3.54Å; K66-Y107 VanDerWaalsContact O-CA 3.29Å; K66-Y107 WeakPolarHBondContact O-CA 3.37Å; K66-M108 HydrophobicContact CB-CE 4.39Å; K66-M108 HydrophobicContact CD-CE 4.29Å; K66-M108 PolarHBondContact N-O 2.99Å; K66-M108 PolarHBondContact O-N 3.48Å; K66-M110 HydrophobicContact CB-CE 3.61Å; K66-M110 HydrophobicContact CD-CE 4.22Å; K66-D179 IonicContact NZ-OD1 3.18Å; K66-D179 PolarHBondContact NZ-OD1 3.05Å
67	M	95	Very high	90.4	Very high	1 Å²	1	70.9 Å²	70.9	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139.5	-178.3	-58.8	-172.6	76.8	0	0	111.3	L26 A27 I33 G49 Q50 Y52 I65 W102 F106	L26-M67 HydrophobicContact CB-CB 4.3Å; L26-M67 HydrophobicContact CB-SD 4.45Å; L26-M67 HydrophobicContact CD1-CB 3.87Å; A27-M67 HydrophobicContact CB-SD 3.79Å; I33-M67 HydrophobicContact CD1-CE 4.15Å; I33-M67 HydrophobicContact CD1-SD 3.95Å; G49-M67 CarbonylContact C-O 3.39Å; G49-M67 WeakPolarHBondContact CA-O 3.32Å; Q50-M67 PolarHBondContact N-O 3.43Å; Q50-M67 PolarHBondContact O-N 3.48Å; Y52-M67 HydrophobicContact CD2-CG 4.33Å; Y52-M67 HydrophobicContact CD2-SD 4.17Å; Y52-M67 HydrophobicContact CE2-CG 4.37Å; Y52-M67 HydrophobicContact CE2-SD 4.03Å; I65-M67 HydrophobicContact CG2-CG 3.77Å; I65-M67 HydrophobicContact CG2-SD 4.3Å; M67-W102 HydrophobicContact CE-CB 4.26Å; M67-F106 CarbonylContact C-O 3.54Å; M67-F106 VanDerWaalsContact CA-O 3.27Å; M67-F106 WeakPolarHBondContact CA-O 3.45Å
68	E	93.1	Very high	90.1	Very high	2 Å²	2	72.6 Å²	72.6	1%	0.009	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.8	171.2	69.5	174.1	-168.8	0	0	110.7	S75 C76 L77 S105 F106	E68-S75 PolarHBondContact OE1-OG 3.49Å; E68-S75 WeakPolarHBondContact OE2-CA 3.42Å; E68-C76 PolarHBondContact OE2-N 2.82Å; E68-L77 HydrophobicContact CB-CB 4.45Å; E68-L77 HydrophobicContact CB-CD2 4.48Å; E68-L77 HydrophobicContact CG-CB 3.63Å; E68-L77 HydrophobicContact CG-CD2 3.9Å; E68-L77 HydrophobicContact CG-CG 4.43Å; E68-L77 VanDerWaalsContact OE1-CB 3.31Å; E68-L77 WeakPolarHBondContact OE1-CB 3.3Å; E68-L77 PolarHBondContact OE1-N 3.16Å; E68-L77 WeakPolarHBondContact OE2-CB 3.47Å; E68-L77 PolarHBondContact OE2-N 2.8Å; E68-S105 CarbonylContact O-C 3.48Å; E68-S105 WeakPolarHBondContact O-CA 3.43Å; E68-S105 VanDerWaalsContact O-CB 3.23Å; E68-S105 WeakPolarHBondContact O-CB 3.4Å; E68-F106 HydrophobicContact CG-CB 3.94Å; E68-F106 HydrophobicContact CG-CD2 4.42Å; E68-F106 PolarHBondContact N-O 3.27Å; E68-F106 PolarHBondContact O-N 2.96Å
69	S	91.5	Very high	89.9	Confident	30 Å²	30	69.2 Å²	69.2	21%	0.21	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	140	174	171.1	0	0	0	0	110.7	E71 S72	S69-E71 PolarHBondContact O-N 3.06Å; S69-E71 PolarHBondContact OG-N 3.37Å; S69-E71 VanDerWaalsContact OG-N 3.16Å; S69-S72 WeakPolarHBondContact O-CB 3.44Å; S69-S72 PolarHBondContact O-N 2.92Å
70	K	89.2	Confident	89.8	Confident	76 Å²	76	63.2 Å²	63.2	33%	0.33	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-24.1	173.6	-69	177.8	174.7	175.8	0	112.8	S72 E101 K103 N104 F106	K70-S72 VanDerWaalsContact C-N 3.26Å; K70-S72 PolarHBondContact O-N 3.42Å; K70-E101 WeakPolarHBondContact CE-OE2 3.46Å; K70-E101 IonicContact NZ-OE2 2.64Å; K70-E101 PolarHBondContact NZ-OE2 3.1Å; K70-K103 PolarHBondContact NZ-O 2.97Å; K70-N104 PolarHBondContact N-O 2.96Å; K70-F106 HydrophobicContact CB-CE2 4.42Å; K70-F106 HydrophobicContact CG-CD2 3.98Å; K70-F106 HydrophobicContact CG-CE2 3.71Å; K70-F106 HydrophobicContact CG-CZ 4.28Å
71	E	86.5	Confident	89.8	Confident	151 Å²	151	54.5 Å²	54.5	71%	0.706	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-2.3	177.2	-64.4	168.8	-163.7	0	0	112.9	S69 R73 N104	S69-E71 PolarHBondContact O-N 3.06Å; S69-E71 PolarHBondContact OG-N 3.37Å; S69-E71 VanDerWaalsContact OG-N 3.16Å; E71-R73 PolarHBondContact O-N 3.16Å; E71-R73 VanDerWaalsContact O-N 3.15Å; E71-N104 PolarHBondContact OE1-ND2 3.48Å
72	S	82.1	Confident	89.8	Confident	32 Å²	32	54.8 Å²	54.8	22%	0.224	27%	0.268	C	S	.	.			trans	-63.2	118.3	177.4	-177.7	0	0	0	0	110.5	S69 K70 K74 S75	S69-S72 WeakPolarHBondContact O-CB 3.44Å; S69-S72 PolarHBondContact O-N 2.92Å; K70-S72 VanDerWaalsContact C-N 3.26Å; K70-S72 PolarHBondContact O-N 3.42Å; S72-K74 PolarHBondContact O-N 2.99Å; S72-K74 PolarHBondContact OG-N 3.45Å; S72-S75 PolarHBondContact O-N 3.27Å
73	R	72.2	Confident	89.9	Confident	254 Å²	254	53.2 Å²	53.2	96%	0.958	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-12.8	171.7	-65	-173.2	180	-173.7	-0.2	113.9	E71	E71-R73 PolarHBondContact O-N 3.16Å; E71-R73 VanDerWaalsContact O-N 3.15Å
74	K	70.9	Confident	89.8	Confident	160 Å²	160	53.3 Å²	53.3	70%	0.696	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.9	56	179.7	-62.2	-177.1	-178.1	179.1	0	109.8	S72 C76	S72-K74 PolarHBondContact O-N 2.99Å; S72-K74 PolarHBondContact OG-N 3.45Å; K74-C76 PolarHBondContact O-N 3.47Å; K74-C76 VanDerWaalsContact O-N 3.15Å
75	S	75	Confident	89.8	Confident	60 Å²	60	57.7 Å²	57.7	42%	0.42	28%	0.275	S	S	.	.			trans	-63.2	114.3	172.6	173.1	0	0	0	0	109.1	E68 S72	E68-S75 PolarHBondContact OE1-OG 3.49Å; E68-S75 WeakPolarHBondContact OE2-CA 3.42Å; S72-S75 PolarHBondContact O-N 3.27Å
76	C	86.3	Confident	89.8	Confident	12 Å²	12	59.8 Å²	59.8	8%	0.081	29%	0.292	C	S	.	.			trans	-127.2	-11.5	-179.4	65.1	0	0	0	0	112.2	F48 E68 K74 K78 M79 E80 G181	F48-C76 WeakPolarHBondContact CD1-SG 3.5Å; E68-C76 PolarHBondContact OE2-N 2.82Å; K74-C76 PolarHBondContact O-N 3.47Å; K74-C76 VanDerWaalsContact O-N 3.15Å; C76-K78 VanDerWaalsContact C-N 3.29Å; C76-K78 PolarHBondContact O-N 3.07Å; C76-M79 WeakPolarHBondContact O-CB 3.37Å; C76-M79 PolarHBondContact O-N 2.93Å; C76-M79 VanDerWaalsContact O-N 3.08Å; C76-E80 PolarHBondContact O-N 3.36Å; C76-G181 WeakPolarHBondContact CB-O 3.46Å
77	L	89.4	Confident	89.9	Confident	4 Å²	4	59.1 Å²	59.1	2%	0.021	29%	0.289	C	S	.	.	H	α-helix	trans	-63.1	-35.4	-176.8	-167.5	62.5	0	0	0	112.2	K66 E68 M79 E80 V81 F106 M108	K66-L77 HydrophobicContact CB-CD1 4.19Å; K66-L77 HydrophobicContact CD-CD1 3.73Å; K66-L77 HydrophobicContact CG-CD1 3.81Å; E68-L77 HydrophobicContact CB-CB 4.45Å; E68-L77 HydrophobicContact CB-CD2 4.48Å; E68-L77 HydrophobicContact CG-CB 3.63Å; E68-L77 HydrophobicContact CG-CD2 3.9Å; E68-L77 HydrophobicContact CG-CG 4.43Å; E68-L77 VanDerWaalsContact OE1-CB 3.31Å; E68-L77 WeakPolarHBondContact OE1-CB 3.3Å; E68-L77 PolarHBondContact OE1-N 3.16Å; E68-L77 WeakPolarHBondContact OE2-CB 3.47Å; E68-L77 PolarHBondContact OE2-N 2.8Å; L77-M79 VanDerWaalsContact C-N 3.33Å; L77-M79 PolarHBondContact O-N 3.06Å; L77-E80 WeakPolarHBondContact O-CB 3.48Å; L77-E80 PolarHBondContact O-N 3.27Å; L77-V81 WeakPolarHBondContact O-CG2 3.24Å; L77-V81 PolarHBondContact O-N 2.96Å; L77-F106 HydrophobicContact CD2-CB 4.15Å; L77-F106 WeakPolarHBondContact CD2-O 3.39Å; L77-M108 HydrophobicContact CD1-CB 3.96Å; L77-M108 HydrophobicContact CD1-CE 4.01Å; L77-M108 HydrophobicContact CD1-SD 4.4Å; L77-M108 HydrophobicContact CD2-CB 4.26Å; L77-M108 HydrophobicContact CG-CB 4.19Å
78	K	91.4	Very high	89.9	Confident	121 Å²	121	62 Å²	62	53%	0.526	30%	0.303	S	S	.	.	H	α-helix	trans	-60	-42.7	173.5	-68.4	-175	178.5	-177.5	0	112.3	C76 E80 V81 V82	C76-K78 VanDerWaalsContact C-N 3.29Å; C76-K78 PolarHBondContact O-N 3.07Å; K78-E80 VanDerWaalsContact C-N 3.34Å; K78-V81 PolarHBondContact O-N 3.22Å; K78-V82 WeakPolarHBondContact O-CG2 3.5Å; K78-V82 PolarHBondContact O-N 3.08Å
79	M	91	Very high	90	Very high	100 Å²	100	68.3 Å²	68.3	49%	0.493	34%	0.341	S	S	.	.	H	α-helix	trans	-68.3	-37.9	177	-176.7	142.4	-75.6	0	0	111.1	C76 L77 V81 V82 V83	C76-M79 WeakPolarHBondContact O-CB 3.37Å; C76-M79 PolarHBondContact O-N 2.93Å; C76-M79 VanDerWaalsContact O-N 3.08Å; L77-M79 VanDerWaalsContact C-N 3.33Å; L77-M79 PolarHBondContact O-N 3.06Å; M79-V81 VanDerWaalsContact C-N 3.35Å; M79-V81 PolarHBondContact O-N 2.93Å; M79-V82 WeakPolarHBondContact O-CB 3.5Å; M79-V82 PolarHBondContact O-N 3.48Å; M79-V83 HydrophobicContact CG-CG2 4.49Å; M79-V83 VanDerWaalsContact O-CG2 3.27Å; M79-V83 WeakPolarHBondContact O-CG2 3.4Å; M79-V83 PolarHBondContact O-N 2.91Å
80	E	94.8	Very high	90.3	Very high	4 Å²	4	67.1 Å²	67.1	2%	0.019	33%	0.333	C	S	.	.	H	α-helix	trans	-62.4	-39.6	175.7	-178.8	167.2	-168.5	0	0	112.6	K66 C76 L77 K78 V82 V83 I84 M108 D179 F180	K66-E80 WeakPolarHBondContact CE-OE2 3.4Å; K66-E80 IonicContact NZ-OE1 2.72Å; K66-E80 PolarHBondContact NZ-OE1 3.39Å; K66-E80 IonicContact NZ-OE2 3.46Å; K66-E80 PolarHBondContact NZ-OE2 3.45Å; C76-E80 PolarHBondContact O-N 3.36Å; L77-E80 WeakPolarHBondContact O-CB 3.48Å; L77-E80 PolarHBondContact O-N 3.27Å; K78-E80 VanDerWaalsContact C-N 3.34Å; E80-V82 PolarHBondContact O-N 2.94Å; E80-V83 PolarHBondContact O-N 2.98Å; E80-I84 HydrophobicContact CG-CD1 3.85Å; E80-I84 WeakPolarHBondContact O-CB 3.38Å; E80-I84 WeakPolarHBondContact O-CG1 3.46Å; E80-I84 PolarHBondContact O-N 3.44Å; E80-M108 HydrophobicContact CG-CE 3.96Å; E80-M108 HydrophobicContact CG-SD 4.42Å; E80-D179 WeakPolarHBondContact OE1-CA 3.38Å; E80-F180 HydrophobicContact CB-CB 4.38Å; E80-F180 HydrophobicContact CG-CB 4.01Å; E80-F180 HydrophobicContact CG-CD2 4.17Å; E80-F180 PolarHBondContact OE1-N 3.27Å
81	V	96.1	Very high	90.6	Very high	13 Å²	13	70 Å²	70	8%	0.079	35%	0.345	C	S	.	.	H	α-helix	trans	-58.1	-47.9	172.2	171.9	0	0	0	0	110.9	L77 K78 M79 V83 I84 Q85 F96 C99 M108	L77-V81 WeakPolarHBondContact O-CG2 3.24Å; L77-V81 PolarHBondContact O-N 2.96Å; K78-V81 PolarHBondContact O-N 3.22Å; M79-V81 VanDerWaalsContact C-N 3.35Å; M79-V81 PolarHBondContact O-N 2.93Å; V81-V83 VanDerWaalsContact C-N 3.31Å; V81-V83 PolarHBondContact O-N 3.44Å; V81-I84 PolarHBondContact O-N 2.82Å; V81-Q85 HydrophobicContact CG1-CG 4.37Å; V81-Q85 WeakPolarHBondContact O-CB 3.06Å; V81-Q85 VanDerWaalsContact O-CG 3.32Å; V81-Q85 WeakPolarHBondContact O-CG 3.46Å; V81-Q85 PolarHBondContact O-N 3.4Å; V81-F96 HydrophobicContact CG1-CE2 3.92Å; V81-F96 HydrophobicContact CG1-CZ 4.05Å; V81-F96 HydrophobicContact CG2-CE2 4.24Å; V81-C99 HydrophobicContact CG2-CB 4.04Å; V81-M108 HydrophobicContact CB-SD 4.48Å; V81-M108 HydrophobicContact CG2-CB 4.19Å; V81-M108 HydrophobicContact CG2-CG 3.98Å; V81-M108 HydrophobicContact CG2-SD 3.57Å; V81-M108 VanDerWaalsContact CG2-SD 3.57Å
82	V	96.3	Very high	91.2	Very high	77 Å²	77	62.9 Å²	62.9	47%	0.467	31%	0.312	S	S	.	.	H	α-helix	trans	-59	-43.6	178.6	173.1	0	0	0	0	111.4	K78 M79 E80 A86 F153	K78-V82 WeakPolarHBondContact O-CG2 3.5Å; K78-V82 PolarHBondContact O-N 3.08Å; M79-V82 WeakPolarHBondContact O-CB 3.5Å; M79-V82 PolarHBondContact O-N 3.48Å; E80-V82 PolarHBondContact O-N 2.94Å; V82-A86 WeakPolarHBondContact O-CB 3.48Å; V82-A86 PolarHBondContact O-N 3.07Å; V82-A86 VanDerWaalsContact O-N 3.07Å; V82-F153 HydrophobicContact CG1-CZ 4.13Å
83	V	97.7	Very high	91.9	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-66.7	-46.3	179.9	177.7	0	0	0	0	111	M79 E80 V81 Q85 A86 F87 L148 F153 F180 A183	M79-V83 HydrophobicContact CG-CG2 4.49Å; M79-V83 VanDerWaalsContact O-CG2 3.27Å; M79-V83 WeakPolarHBondContact O-CG2 3.4Å; M79-V83 PolarHBondContact O-N 2.91Å; E80-V83 PolarHBondContact O-N 2.98Å; V81-V83 VanDerWaalsContact C-N 3.31Å; V81-V83 PolarHBondContact O-N 3.44Å; V83-Q85 VanDerWaalsContact C-N 3.34Å; V83-Q85 PolarHBondContact O-N 2.9Å; V83-A86 PolarHBondContact O-N 2.95Å; V83-F87 VanDerWaalsContact O-CB 3.23Å; V83-F87 WeakPolarHBondContact O-CB 3.09Å; V83-F87 PolarHBondContact O-N 2.88Å; V83-L148 HydrophobicContact CG1-CD1 3.7Å; V83-F153 HydrophobicContact CG1-CG 4.37Å; V83-F153 HydrophobicContact CG2-CD1 3.6Å; V83-F153 HydrophobicContact CG2-CE1 3.68Å; V83-F153 HydrophobicContact CG2-CG 4.08Å; V83-F153 HydrophobicContact CG2-CZ 4.24Å; V83-F180 HydrophobicContact CB-CB 3.95Å; V83-F180 HydrophobicContact CB-CG 4.2Å; V83-F180 HydrophobicContact CG1-CB 3.79Å; V83-F180 HydrophobicContact CG1-CD1 3.54Å; V83-F180 HydrophobicContact CG1-CD2 4.35Å; V83-F180 HydrophobicContact CG1-CE1 4.19Å; V83-F180 HydrophobicContact CG1-CG 3.63Å; V83-F180 HydrophobicContact CG2-CB 4.33Å; V83-A183 HydrophobicContact CG1-CB 4.37Å; V83-A183 HydrophobicContact CG2-CB 3.91Å
84	I	97.6	Very high	93	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-60.8	-44.8	179.3	-73.6	169.1	0	0	0	110.6	E80 V81 A86 F87 E88 P94 F96 M108 F180	E80-I84 HydrophobicContact CG-CD1 3.85Å; E80-I84 WeakPolarHBondContact O-CB 3.38Å; E80-I84 WeakPolarHBondContact O-CG1 3.46Å; E80-I84 PolarHBondContact O-N 3.44Å; V81-I84 PolarHBondContact O-N 2.82Å; I84-A86 VanDerWaalsContact C-N 3.34Å; I84-A86 PolarHBondContact O-N 3.37Å; I84-F87 CarbonylContact O-C 3.51Å; I84-F87 PolarHBondContact O-N 3.28Å; I84-F87 VanDerWaalsContact O-N 3.15Å; I84-E88 WeakPolarHBondContact O-CA 3.44Å; I84-E88 WeakPolarHBondContact O-CB 3.36Å; I84-E88 PolarHBondContact O-N 3.5Å; I84-P94 HydrophobicContact CD1-CG 4.34Å; I84-F96 HydrophobicContact CG2-CB 3.93Å; I84-F96 HydrophobicContact CG2-CD2 4.46Å; I84-M108 HydrophobicContact CD1-CE 3.54Å; I84-M108 HydrophobicContact CD1-SD 3.61Å; I84-F180 HydrophobicContact CD1-CD2 4.02Å; I84-F180 HydrophobicContact CD1-CE2 4.19Å; I84-F180 HydrophobicContact CG1-CD2 3.54Å; I84-F180 HydrophobicContact CG1-CE2 3.57Å
85	Q	96.7	Very high	94.2	Very high	99 Å²	99	47.4 Å²	47.4	46%	0.463	25%	0.245	S	C	.	.	H	α-helix	trans	-63.6	-39.1	178.4	-72.2	179.8	-47	0	0	112.2	V81 V83 F87 F96	V81-Q85 HydrophobicContact CG1-CG 4.37Å; V81-Q85 WeakPolarHBondContact O-CB 3.06Å; V81-Q85 VanDerWaalsContact O-CG 3.32Å; V81-Q85 WeakPolarHBondContact O-CG 3.46Å; V81-Q85 PolarHBondContact O-N 3.4Å; V83-Q85 VanDerWaalsContact C-N 3.34Å; V83-Q85 PolarHBondContact O-N 2.9Å; Q85-F87 VanDerWaalsContact C-N 3.31Å; Q85-F87 PolarHBondContact O-N 3.21Å; Q85-F96 HydrophobicContact CG-CD1 4.37Å
86	A	96.8	Very high	95.2	Very high	44 Å²	44	46.2 Å²	46.2	36%	0.364	23%	0.232	S	C	.	.	H	α-helix	trans	-67.7	-31.8	174.6	0	0	0	0	0	112.7	V82 V83 I84 C151 F153	V82-A86 WeakPolarHBondContact O-CB 3.48Å; V82-A86 PolarHBondContact O-N 3.07Å; V82-A86 VanDerWaalsContact O-N 3.07Å; V83-A86 PolarHBondContact O-N 2.95Å; I84-A86 VanDerWaalsContact C-N 3.34Å; I84-A86 PolarHBondContact O-N 3.37Å; A86-C151 HydrophobicContact CB-CB 4.38Å; A86-C151 PolarHBondContact O-SG 3.07Å; A86-F153 HydrophobicContact CB-CD2 4.46Å; A86-F153 HydrophobicContact CB-CE2 3.85Å
87	F	98	Very high	95.7	Very high	1 Å²	1	47.4 Å²	47.4	0%	0.004	24%	0.235	C	C	.	.	H	α-helix	trans	-94.1	-4.7	-175.9	-174	-136.9	0	0	0	113.8	V83 I84 Q85 V89 S90 H92 C93 E147 L148 L177 F180	V83-F87 VanDerWaalsContact O-CB 3.23Å; V83-F87 WeakPolarHBondContact O-CB 3.09Å; V83-F87 PolarHBondContact O-N 2.88Å; I84-F87 CarbonylContact O-C 3.51Å; I84-F87 PolarHBondContact O-N 3.28Å; I84-F87 VanDerWaalsContact O-N 3.15Å; Q85-F87 VanDerWaalsContact C-N 3.31Å; Q85-F87 PolarHBondContact O-N 3.21Å; F87-V89 PolarHBondContact O-N 3.35Å; F87-S90 WeakPolarHBondContact CE2-OG 3.45Å; F87-S90 WeakPolarHBondContact CZ-OG 3.47Å; F87-S90 VanDerWaalsContact O-CB 3.27Å; F87-S90 WeakPolarHBondContact O-CB 3.38Å; F87-S90 PolarHBondContact O-N 2.93Å; F87-H92 HydrophobicContact CZ-CB 4.11Å; F87-C93 HydrophobicContact CB-CB 4.43Å; F87-C93 HydrophobicContact CD1-CB 3.37Å; F87-C93 WeakPolarHBondContact CD1-SG 3.43Å; F87-C93 HydrophobicContact CE1-CB 3.61Å; F87-C93 HydrophobicContact CG-CB 3.88Å; F87-C93 HydrophobicContact CZ-CB 4.31Å; F87-C93 VanDerWaalsContact O-CB 3.25Å; F87-C93 WeakPolarHBondContact O-CB 3.41Å; F87-E147 HydrophobicContact CD2-CB 4.47Å; F87-E147 HydrophobicContact CE2-CB 3.68Å; F87-L148 HydrophobicContact CB-CD1 4.37Å; F87-L148 HydrophobicContact CD1-CD1 4.32Å; F87-L148 HydrophobicContact CD2-CB 4.31Å; F87-L148 HydrophobicContact CD2-CD1 4.48Å; F87-L148 HydrophobicContact CE2-CB 4.13Å; F87-L148 HydrophobicContact CG-CD1 4.16Å; F87-L148 HydrophobicContact CZ-CB 4.38Å; F87-L177 HydrophobicContact CE1-CB 4.28Å; F87-L177 HydrophobicContact CE1-CD1 4.27Å; F87-L177 HydrophobicContact CZ-CD1 4.25Å; F87-F180 HydrophobicContact CD1-CE1 4.2Å; F87-F180 AromaticContact CD1-CZ 3.82Å; F87-F180 HydrophobicContact CD1-CZ 3.82Å; F87-F180 HydrophobicContact CE1-CE1 4.44Å; F87-F180 HydrophobicContact CE1-CZ 4.07Å
88	E	96.1	Very high	96.1	Very high	61 Å²	61	47.9 Å²	47.9	29%	0.285	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-22	-168.1	-176.4	164.4	-142.1	0	0	114.9	I84 S90 R95 F96	I84-E88 WeakPolarHBondContact O-CA 3.44Å; I84-E88 WeakPolarHBondContact O-CB 3.36Å; I84-E88 PolarHBondContact O-N 3.5Å; E88-S90 PolarHBondContact O-N 3.13Å; E88-R95 PolarHBondContact O-NH1 3.43Å; E88-F96 PolarHBondContact OE1-N 2.82Å
89	V	95.2	Very high	96.3	Very high	135 Å²	135	45.1 Å²	45.1	82%	0.818	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-25.1	174.6	-62.8	0	0	0	0	112.4	F87	F87-V89 PolarHBondContact O-N 3.35Å
90	S	97.1	Very high	96.5	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.028	23%	0.225	C	C	.	.	S	Bend	trans	-72.7	137.2	179	173.5	0	0	0	0	111.9	F87 E88 H92 C93 E147	F87-S90 WeakPolarHBondContact CE2-OG 3.45Å; F87-S90 WeakPolarHBondContact CZ-OG 3.47Å; F87-S90 VanDerWaalsContact O-CB 3.27Å; F87-S90 WeakPolarHBondContact O-CB 3.38Å; F87-S90 PolarHBondContact O-N 2.93Å; E88-S90 PolarHBondContact O-N 3.13Å; S90-H92 PolarHBondContact O-N 3.07Å; S90-H92 WeakPolarHBondContact OG-CA 3.44Å; S90-H92 WeakPolarHBondContact OG-CB 3.28Å; S90-H92 PolarHBondContact OG-N 2.89Å; S90-C93 WeakPolarHBondContact O-CB 3.4Å; S90-C93 PolarHBondContact O-N 3.04Å; S90-E147 WeakPolarHBondContact CB-OE2 3.13Å; S90-E147 PolarHBondContact OG-OE2 2.92Å
91	K	96	Very high	96.6	Very high	137 Å²	137	45.9 Å²	45.9	60%	0.596	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66	-14	167.8	71.2	-177.3	179.4	-172.9	0	113.1	T174 I176	K91-T174 HydrophobicContact CG-CG2 4.4Å; K91-I176 WeakPolarHBondContact O-CD1 3.37Å
92	H	97.7	Very high	96.5	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	6.7	178.3	-58.2	-70.6	0	0	0	112.6	F87 S90 A144 E147 V175 I176 L177	F87-H92 HydrophobicContact CZ-CB 4.11Å; S90-H92 PolarHBondContact O-N 3.07Å; S90-H92 WeakPolarHBondContact OG-CA 3.44Å; S90-H92 WeakPolarHBondContact OG-CB 3.28Å; S90-H92 PolarHBondContact OG-N 2.89Å; H92-A144 HydrophobicContact CB-CB 3.45Å; H92-A144 VanDerWaalsContact CB-CB 3.45Å; H92-E147 IonicContact CD2-OE2 3.59Å; H92-E147 PolarHBondContact CD2-OE2 3.1Å; H92-V175 PolarHBondContact ND1-O 2.84Å; H92-I176 CarbonylContact O-C 3.47Å; H92-I176 WeakPolarHBondContact O-CA 3.36Å; H92-L177 PolarHBondContact O-N 2.9Å
93	C	97.6	Very high	96.3	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.02	26%	0.257	C	S	.	.	S	Bend	trans	-104.2	138.5	174.6	-171.1	0	0	0	0	111.2	F87 S90	F87-C93 HydrophobicContact CB-CB 4.43Å; F87-C93 HydrophobicContact CD1-CB 3.37Å; F87-C93 WeakPolarHBondContact CD1-SG 3.43Å; F87-C93 HydrophobicContact CE1-CB 3.61Å; F87-C93 HydrophobicContact CG-CB 3.88Å; F87-C93 HydrophobicContact CZ-CB 4.31Å; F87-C93 VanDerWaalsContact O-CB 3.25Å; F87-C93 WeakPolarHBondContact O-CB 3.41Å; S90-C93 WeakPolarHBondContact O-CB 3.4Å; S90-C93 PolarHBondContact O-N 3.04Å
94	P	95.6	Very high	96	Very high	1 Å²	1	54 Å²	54	1%	0.006	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-64.7	138.4	169.6	27.3	-33.9	0	0	0	110.6	I84 F96 Q111 L113 I176 L177 L178	I84-P94 HydrophobicContact CD1-CG 4.34Å; P94-F96 PolarHBondContact O-N 3.24Å; P94-Q111 HydrophobicContact CB-CB 4.49Å; P94-L113 HydrophobicContact CB-CD1 4.35Å; P94-I176 HydrophobicContact CB-CG2 4.25Å; P94-I176 HydrophobicContact CG-CG2 4.46Å; P94-L177 WeakPolarHBondContact CD-O 3.5Å; P94-L178 HydrophobicContact CB-CD2 4.47Å; P94-L178 HydrophobicContact CG-CD2 4.2Å
95	R	95.5	Very high	95.8	Very high	117 Å²	117	54.2 Å²	54.2	44%	0.442	28%	0.276	S	S	.	.	P	Polyproline II helix	trans	-63.2	135.2	174.7	-60.6	-59.2	-168.2	-175.1	-0.7	111.4	E88 Y97 M110 Q111	E88-R95 PolarHBondContact O-NH1 3.43Å; R95-Y97 HydrophobicContact CB-CD1 4.46Å; R95-Y97 HydrophobicContact CB-CE1 3.69Å; R95-M110 CarbonylContact O-C 3.59Å; R95-M110 WeakPolarHBondContact O-CA 3.43Å; R95-M110 WeakPolarHBondContact O-CB 3.44Å; R95-Q111 HydrophobicContact CB-CB 4.1Å; R95-Q111 PolarHBondContact O-N 2.88Å
96	F	96.7	Very high	95.7	Very high	35 Å²	35	51 Å²	51	15%	0.154	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	133.1	177.2	178	-101.4	0	0	0	110.8	V81 I84 Q85 E88 P94 G98 C99 M108	V81-F96 HydrophobicContact CG1-CE2 3.92Å; V81-F96 HydrophobicContact CG1-CZ 4.05Å; V81-F96 HydrophobicContact CG2-CE2 4.24Å; I84-F96 HydrophobicContact CG2-CB 3.93Å; I84-F96 HydrophobicContact CG2-CD2 4.46Å; Q85-F96 HydrophobicContact CG-CD1 4.37Å; E88-F96 PolarHBondContact OE1-N 2.82Å; P94-F96 PolarHBondContact O-N 3.24Å; F96-G98 WeakPolarHBondContact CE2-O 3.14Å; F96-C99 HydrophobicContact CE2-CB 4.09Å; F96-C99 HydrophobicContact CZ-CB 3.96Å; F96-M108 HydrophobicContact CD2-CG 4.18Å; F96-M108 HydrophobicContact CD2-SD 4.45Å; F96-M108 HydrophobicContact CE2-CG 3.95Å; F96-M108 HydrophobicContact CE2-SD 4.46Å
97	Y	96.8	Very high	95.7	Very high	37 Å²	37	49.5 Å²	49.5	15%	0.145	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	-16.9	-178.1	-59.3	-33.5	0	0	0	114.2	M61 V63 R95 V109 Q111	M61-Y97 HydrophobicContact CE-CE2 3.94Å; M61-Y97 VanDerWaalsContact CE-OH 3.3Å; M61-Y97 WeakPolarHBondContact CE-OH 3.33Å; M61-Y97 HydrophobicContact SD-CE2 4.5Å; V63-Y97 HydrophobicContact CB-CD2 4.19Å; V63-Y97 HydrophobicContact CB-CE2 4.4Å; V63-Y97 HydrophobicContact CG1-CD2 3.59Å; V63-Y97 HydrophobicContact CG1-CE2 3.69Å; R95-Y97 HydrophobicContact CB-CD1 4.46Å; R95-Y97 HydrophobicContact CB-CE1 3.69Å; Y97-V109 HydrophobicContact CD2-CG1 4.27Å; Y97-V109 PolarHBondContact N-O 3.07Å; Y97-Q111 HydrophobicContact CE2-CB 4.41Å
98	G	96.3	Very high	95.6	Very high	14 Å²	14	49.5 Å²	49.5	14%	0.144	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	156.2	168.5	174.8	0	0	0	0	0	112.4	F96 V109	F96-G98 WeakPolarHBondContact CE2-O 3.14Å; G98-V109 PolarHBondContact N-O 2.97Å; G98-V109 PolarHBondContact O-N 3.28Å
99	C	96.7	Very high	95.7	Very high	63 Å²	63	46.6 Å²	46.6	43%	0.426	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	168.4	172.3	63.8	0	0	0	0	109.8	V81 F96 Y107	V81-C99 HydrophobicContact CG2-CB 4.04Å; F96-C99 HydrophobicContact CE2-CB 4.09Å; F96-C99 HydrophobicContact CZ-CB 3.96Å; C99-Y107 CarbonylContact C-O 3.58Å; C99-Y107 WeakPolarHBondContact CA-O 3.3Å; C99-Y107 VanDerWaalsContact CB-O 3.25Å; C99-Y107 WeakPolarHBondContact CB-O 3.45Å
100	G	95.9	Very high	95.8	Very high	24 Å²	24	40.8 Å²	40.8	25%	0.247	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.7	-158.9	175	0	0	0	0	0	112.7	F106 Y107	G100-F106 WeakPolarHBondContact O-CA 3.25Å; G100-Y107 VanDerWaalsContact C-CD1 3.45Å; G100-Y107 PolarHBondContact N-O 3.31Å; G100-Y107 WeakPolarHBondContact O-CD1 3.39Å; G100-Y107 PolarHBondContact O-N 3.3Å
101	E	95.1	Very high	95.7	Very high	96 Å²	96	42.1 Å²	42.1	45%	0.449	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	138.9	176.4	-63.3	-176.4	-171.1	0	0	110.6	K34 K70 S105 F106	K34-E101 WeakPolarHBondContact CE-O 3.24Å; K70-E101 WeakPolarHBondContact CE-OE2 3.46Å; K70-E101 IonicContact NZ-OE2 2.64Å; K70-E101 PolarHBondContact NZ-OE2 3.1Å; E101-S105 WeakPolarHBondContact CA-O 3.46Å; E101-F106 HydrophobicContact CG-CD1 3.64Å; E101-F106 HydrophobicContact CG-CE1 3.52Å; E101-F106 HydrophobicContact CG-CZ 4.45Å; E101-F106 WeakPolarHBondContact OE1-CE1 3.3Å
102	W	94.7	Very high	95.7	Very high	59 Å²	59	36.6 Å²	36.6	22%	0.223	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	119.9	175.4	-173.9	-108.3	0	0	0	109.2	E31 I33 K34 M67 N104 S105 Y107	E31-W102 PolarHBondContact OE1-NE1 2.77Å; I33-W102 HydrophobicContact CB-CD2 4.39Å; I33-W102 HydrophobicContact CG1-CD2 4.41Å; I33-W102 HydrophobicContact CG1-CG 4.25Å; I33-W102 HydrophobicContact CG2-CB 4.09Å; I33-W102 HydrophobicContact CG2-CD2 3.89Å; I33-W102 HydrophobicContact CG2-CE3 4.14Å; I33-W102 HydrophobicContact CG2-CG 3.87Å; K34-W102 HydrophobicContact CD-CE3 4.15Å; K34-W102 HydrophobicContact CD-CZ3 4.15Å; K34-W102 HydrophobicContact CG-CE3 4.01Å; K34-W102 HydrophobicContact CG-CZ3 4.23Å; M67-W102 HydrophobicContact CE-CB 4.26Å; W102-N104 PolarHBondContact O-N 3.41Å; W102-S105 PolarHBondContact N-O 3.46Å; W102-S105 PolarHBondContact O-N 2.92Å; W102-Y107 HydrophobicContact CB-CD1 3.79Å; W102-Y107 HydrophobicContact CB-CE1 4.13Å
103	K	92.6	Very high	95.6	Very high	131 Å²	131	37.6 Å²	37.6	57%	0.57	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	-127.2	-171.1	-60.3	171.4	171.7	170.1	0	110.5	E31 K70 S105	E31-K103 WeakPolarHBondContact OE1-CE 3.48Å; E31-K103 IonicContact OE1-NZ 3.25Å; E31-K103 PolarHBondContact OE1-NZ 3.18Å; E31-K103 IonicContact OE2-NZ 2.64Å; E31-K103 PolarHBondContact OE2-NZ 2.9Å; K70-K103 PolarHBondContact NZ-O 2.97Å; K103-S105 VanDerWaalsContact C-N 3.31Å; K103-S105 PolarHBondContact O-N 3.17Å
104	N	91.6	Very high	95.4	Very high	71 Å²	71	38.7 Å²	38.7	38%	0.38	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	32.5	177.8	-161.3	29.8	0	0	0	113.1	K70 E71 W102	K70-N104 PolarHBondContact N-O 2.96Å; E71-N104 PolarHBondContact OE1-ND2 3.48Å; W102-N104 PolarHBondContact O-N 3.41Å
105	S	93.7	Very high	95.3	Very high	5 Å²	5	42 Å²	42	4%	0.035	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	147.5	-176	-64	0	0	0	0	113.3	E68 E101 W102 K103	E68-S105 CarbonylContact O-C 3.48Å; E68-S105 WeakPolarHBondContact O-CA 3.43Å; E68-S105 VanDerWaalsContact O-CB 3.23Å; E68-S105 WeakPolarHBondContact O-CB 3.4Å; E101-S105 WeakPolarHBondContact CA-O 3.46Å; W102-S105 PolarHBondContact N-O 3.46Å; W102-S105 PolarHBondContact O-N 2.92Å; K103-S105 VanDerWaalsContact C-N 3.31Å; K103-S105 PolarHBondContact O-N 3.17Å
106	F	94.8	Very high	95.3	Very high	31 Å²	31	37.1 Å²	37.1	14%	0.136	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	141.9	161.6	-67.9	-75.5	0	0	0	108.7	M67 E68 K70 L77 G100 E101	M67-F106 CarbonylContact C-O 3.54Å; M67-F106 VanDerWaalsContact CA-O 3.27Å; M67-F106 WeakPolarHBondContact CA-O 3.45Å; E68-F106 HydrophobicContact CG-CB 3.94Å; E68-F106 HydrophobicContact CG-CD2 4.42Å; E68-F106 PolarHBondContact N-O 3.27Å; E68-F106 PolarHBondContact O-N 2.96Å; K70-F106 HydrophobicContact CB-CE2 4.42Å; K70-F106 HydrophobicContact CG-CD2 3.98Å; K70-F106 HydrophobicContact CG-CE2 3.71Å; K70-F106 HydrophobicContact CG-CZ 4.28Å; L77-F106 HydrophobicContact CD2-CB 4.15Å; L77-F106 WeakPolarHBondContact CD2-O 3.39Å; G100-F106 WeakPolarHBondContact O-CA 3.25Å; E101-F106 HydrophobicContact CG-CD1 3.64Å; E101-F106 HydrophobicContact CG-CE1 3.52Å; E101-F106 HydrophobicContact CG-CZ 4.45Å; E101-F106 WeakPolarHBondContact OE1-CE1 3.3Å
107	Y	95.8	Very high	95.3	Very high	14 Å²	14	35.5 Å²	35.5	6%	0.055	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	151.3	175	73.9	-93.1	0	0	0	111.8	I33 K34 W37 I65 K66 C99 G100 W102 V109	I33-Y107 HydrophobicContact CG2-CD1 4.29Å; I33-Y107 HydrophobicContact CG2-CE1 4.12Å; K34-Y107 HydrophobicContact CG-CE1 4.39Å; W37-Y107 HydrophobicContact CE3-CE2 4.21Å; W37-Y107 HydrophobicContact CH2-CE2 4.1Å; W37-Y107 AromaticContact CZ3-CE2 3.62Å; W37-Y107 HydrophobicContact CZ3-CE2 3.62Å; W37-Y107 AromaticContact CZ3-CZ 3.83Å; W37-Y107 WeakPolarHBondContact CZ3-OH 3.42Å; I65-Y107 HydrophobicContact CG2-CD2 4.49Å; K66-Y107 CarbonylContact O-C 3.54Å; K66-Y107 VanDerWaalsContact O-CA 3.29Å; K66-Y107 WeakPolarHBondContact O-CA 3.37Å; C99-Y107 CarbonylContact C-O 3.58Å; C99-Y107 WeakPolarHBondContact CA-O 3.3Å; C99-Y107 VanDerWaalsContact CB-O 3.25Å; C99-Y107 WeakPolarHBondContact CB-O 3.45Å; G100-Y107 VanDerWaalsContact C-CD1 3.45Å; G100-Y107 PolarHBondContact N-O 3.31Å; G100-Y107 WeakPolarHBondContact O-CD1 3.39Å; G100-Y107 PolarHBondContact O-N 3.3Å; W102-Y107 HydrophobicContact CB-CD1 3.79Å; W102-Y107 HydrophobicContact CB-CE1 4.13Å; Y107-V109 HydrophobicContact CD2-CG2 3.74Å; Y107-V109 HydrophobicContact CE2-CG2 3.82Å
108	M	96.7	Very high	95.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	128.4	171.6	177.2	176.8	74.2	0	0	108.6	I65 K66 L77 E80 V81 I84 F96 M110	I65-M108 CarbonylContact C-O 3.52Å; I65-M108 WeakPolarHBondContact CA-O 3.31Å; K66-M108 HydrophobicContact CB-CE 4.39Å; K66-M108 HydrophobicContact CD-CE 4.29Å; K66-M108 PolarHBondContact N-O 2.99Å; K66-M108 PolarHBondContact O-N 3.48Å; L77-M108 HydrophobicContact CD1-CB 3.96Å; L77-M108 HydrophobicContact CD1-CE 4.01Å; L77-M108 HydrophobicContact CD1-SD 4.4Å; L77-M108 HydrophobicContact CD2-CB 4.26Å; L77-M108 HydrophobicContact CG-CB 4.19Å; E80-M108 HydrophobicContact CG-CE 3.96Å; E80-M108 HydrophobicContact CG-SD 4.42Å; V81-M108 HydrophobicContact CB-SD 4.48Å; V81-M108 HydrophobicContact CG2-CB 4.19Å; V81-M108 HydrophobicContact CG2-CG 3.98Å; V81-M108 HydrophobicContact CG2-SD 3.57Å; V81-M108 VanDerWaalsContact CG2-SD 3.57Å; I84-M108 HydrophobicContact CD1-CE 3.54Å; I84-M108 HydrophobicContact CD1-SD 3.61Å; F96-M108 HydrophobicContact CD2-CG 4.18Å; F96-M108 HydrophobicContact CD2-SD 4.45Å; F96-M108 HydrophobicContact CE2-CG 3.95Å; F96-M108 HydrophobicContact CE2-SD 4.46Å; M108-M110 HydrophobicContact CE-CE 3.8Å; M108-M110 HydrophobicContact CE-SD 3.74Å
109	V	97.9	Very high	95.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	126.9	177.4	-168.6	0	0	0	0	108.6	W37 V63 A64 I65 Y97 G98 Y107	W37-V109 HydrophobicContact CD2-CG2 3.89Å; W37-V109 HydrophobicContact CE3-CG2 4.15Å; W37-V109 HydrophobicContact CG-CG2 4.42Å; W37-V109 HydrophobicContact CH2-CG2 4.16Å; W37-V109 HydrophobicContact CZ2-CB 4.38Å; W37-V109 HydrophobicContact CZ2-CG2 3.9Å; W37-V109 HydrophobicContact CZ3-CG2 4.29Å; V63-V109 HydrophobicContact CB-CG1 3.87Å; V63-V109 HydrophobicContact CG1-CG1 4.35Å; V63-V109 HydrophobicContact CG2-CG1 3.67Å; A64-V109 WeakPolarHBondContact O-CA 3.47Å; I65-V109 HydrophobicContact CG1-CG1 4.41Å; I65-V109 HydrophobicContact CG1-CG2 4.26Å; Y97-V109 HydrophobicContact CD2-CG1 4.27Å; Y97-V109 PolarHBondContact N-O 3.07Å; G98-V109 PolarHBondContact N-O 2.97Å; G98-V109 PolarHBondContact O-N 3.28Å; Y107-V109 HydrophobicContact CD2-CG2 3.74Å; Y107-V109 HydrophobicContact CE2-CG2 3.82Å
110	M	97.1	Very high	95.2	Very high	14 Å²	14	35.4 Å²	35.4	7%	0.069	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	172.8	-176.3	62.1	-175.9	146	0	0	111.6	A64 K66 R95 M108 L112	A64-M110 HydrophobicContact CB-CG 4.09Å; A64-M110 PolarHBondContact N-O 3.31Å; A64-M110 PolarHBondContact O-N 3.37Å; K66-M110 HydrophobicContact CB-CE 3.61Å; K66-M110 HydrophobicContact CD-CE 4.22Å; R95-M110 CarbonylContact O-C 3.59Å; R95-M110 WeakPolarHBondContact O-CA 3.43Å; R95-M110 WeakPolarHBondContact O-CB 3.44Å; M108-M110 HydrophobicContact CE-CE 3.8Å; M108-M110 HydrophobicContact CE-SD 3.74Å; M110-L112 PolarHBondContact O-N 3.33Å
111	Q	95.5	Very high	95.2	Very high	31 Å²	31	35 Å²	35	15%	0.145	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.8	130.3	173	-171.8	177.3	7.7	0	0	111.7	P94 R95 Y97 L113	P94-Q111 HydrophobicContact CB-CB 4.49Å; R95-Q111 HydrophobicContact CB-CB 4.1Å; R95-Q111 PolarHBondContact O-N 2.88Å; Y97-Q111 HydrophobicContact CE2-CB 4.41Å; Q111-L113 HydrophobicContact CB-CD2 4.43Å; Q111-L113 HydrophobicContact CG-CD2 3.93Å; Q111-L113 PolarHBondContact O-N 3.21Å
112	L	95.8	Very high	95.2	Very high	22 Å²	22	37.1 Å²	37.1	12%	0.115	17%	0.174	C	C	.	.			trans	-72.6	122.6	166.7	-174.8	65.8	0	0	0	109.1	I43 R53 A62 A64 M110	I43-L112 HydrophobicContact CD1-CD1 3.8Å; R53-L112 HydrophobicContact CG-CD1 4.41Å; R53-L112 HydrophobicContact CG-CD2 4.02Å; A62-L112 HydrophobicContact CB-CD2 3.71Å; A64-L112 HydrophobicContact CB-CD1 4.09Å; M110-L112 PolarHBondContact O-N 3.33Å
113	L	95.3	Very high	95.3	Very high	22 Å²	22	38.8 Å²	38.8	12%	0.115	19%	0.185	C	C	.	.			trans	-106.9	164.7	-178.4	-62.4	177.1	0	0	0	111.8	P94 Q111 A164 Q167 I176 L178	P94-L113 HydrophobicContact CB-CD1 4.35Å; Q111-L113 HydrophobicContact CB-CD2 4.43Å; Q111-L113 HydrophobicContact CG-CD2 3.93Å; Q111-L113 PolarHBondContact O-N 3.21Å; L113-A164 HydrophobicContact CB-CB 3.99Å; L113-A164 HydrophobicContact CD1-CB 4.03Å; L113-Q167 VanDerWaalsContact C-CG 3.49Å; L113-Q167 PolarHBondContact O-NE2 3.17Å; L113-I176 HydrophobicContact CD1-CB 3.91Å; L113-I176 HydrophobicContact CD1-CG1 4.39Å; L113-I176 HydrophobicContact CD1-CG2 3.62Å; L113-I176 HydrophobicContact CD2-CB 4.45Å; L113-I176 HydrophobicContact CD2-CG1 4.02Å; L113-I176 HydrophobicContact CD2-CG2 4.39Å; L113-L178 HydrophobicContact CD1-CD1 4.09Å; L113-L178 HydrophobicContact CD1-CD2 3.37Å; L113-L178 HydrophobicContact CD1-CG 4.03Å
114	G	93.5	Very high	95.4	Very high	26 Å²	26	33.5 Å²	33.5	27%	0.268	16%	0.162	S	C	.	.			trans	-71.1	-168.1	176	0	0	0	0	0	112	L165	G114-L165 WeakPolarHBondContact CA-O 3.47Å; G114-L165 PolarHBondContact N-O 3.33Å
115	Q	93	Very high	95.5	Very high	71 Å²	71	35.2 Å²	35.2	33%	0.332	18%	0.177	S	C	.	.			trans	-58.6	146.8	173.8	-70	-176.3	76.8	0	0	111.1	Q119 K120 L165	Q115-Q119 HydrophobicContact CB-CB 4.19Å; Q115-K120 HydrophobicContact CB-CD 4.43Å; Q115-K120 HydrophobicContact CB-CG 4.28Å; Q115-L165 PolarHBondContact O-N 3.33Å
116	S	95.7	Very high	95.6	Very high	14 Å²	14	41.6 Å²	41.6	10%	0.098	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-60.7	148.8	166	63	0	0	0	0	110.6	G118 Q119 K120 M163	S116-G118 PolarHBondContact O-N 3.05Å; S116-Q119 WeakPolarHBondContact O-CB 3.23Å; S116-Q119 PolarHBondContact O-N 3.31Å; S116-Q119 VanDerWaalsContact OG-CG 3.28Å; S116-Q119 WeakPolarHBondContact OG-CG 3.44Å; S116-Q119 PolarHBondContact OG-N 3.14Å; S116-Q119 PolarHBondContact OG-OE1 3.3Å; S116-K120 PolarHBondContact O-N 3.46Å; S116-K120 VanDerWaalsContact O-N 3.1Å; S116-M163 CarbonylContact C-O 3.44Å; S116-M163 WeakPolarHBondContact CA-O 3.41Å; S116-M163 WeakPolarHBondContact CB-O 3.32Å
117	I	96.8	Very high	95.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.2	-31.2	174.1	-60.5	176.8	0	0	0	109.8	Q119 K120 R121 F129 M141 L160 M163 L165 V175 W313	I117-Q119 PolarHBondContact O-N 3.21Å; I117-K120 PolarHBondContact O-N 2.54Å; I117-R121 WeakPolarHBondContact O-CB 3.03Å; I117-R121 PolarHBondContact O-N 3.49Å; I117-F129 HydrophobicContact CG2-CE2 3.61Å; I117-F129 HydrophobicContact CG2-CZ 4.01Å; I117-M141 HydrophobicContact CD1-CE 3.71Å; I117-L160 HydrophobicContact CB-CB 4.39Å; I117-L160 HydrophobicContact CB-CD2 4.17Å; I117-L160 HydrophobicContact CG2-CD1 4.41Å; I117-L160 HydrophobicContact CG2-CD2 3.73Å; I117-L160 HydrophobicContact CG2-CG 4.44Å; I117-L160 PolarHBondContact N-O 2.92Å; I117-M163 HydrophobicContact CD1-CB 3.86Å; I117-M163 HydrophobicContact CG1-CB 4.28Å; I117-M163 PolarHBondContact N-O 3.06Å; I117-L165 HydrophobicContact CG1-CD2 4.36Å; I117-V175 HydrophobicContact CD1-CB 4.35Å; I117-V175 HydrophobicContact CD1-CG1 3.78Å; I117-V175 HydrophobicContact CD1-CG2 3.76Å; I117-W313 HydrophobicContact CG2-CZ3 4.22Å
118	G	96.6	Very high	95.7	Very high	3 Å²	3	49.8 Å²	49.8	3%	0.031	24%	0.24	C	C	.	.	H	α-helix	trans	-65.7	-34.3	175.1	0	0	0	0	0	113.5	S116 R122 L160	S116-G118 PolarHBondContact O-N 3.05Å; G118-R122 WeakPolarHBondContact O-CG 3.3Å; G118-R122 PolarHBondContact O-N 3.19Å; G118-R122 PolarHBondContact O-NH1 2.96Å; G118-L160 PolarHBondContact N-O 2.93Å
119	Q	95.6	Very high	95.8	Very high	79 Å²	79	49.9 Å²	49.9	37%	0.369	24%	0.24	S	C	.	.	H	α-helix	trans	-68.5	-47.2	171.7	-77.1	161.3	-56	0	0	110.8	Q115 S116 I117 R121 R122 Q123	Q115-Q119 HydrophobicContact CB-CB 4.19Å; S116-Q119 WeakPolarHBondContact O-CB 3.23Å; S116-Q119 PolarHBondContact O-N 3.31Å; S116-Q119 VanDerWaalsContact OG-CG 3.28Å; S116-Q119 WeakPolarHBondContact OG-CG 3.44Å; S116-Q119 PolarHBondContact OG-N 3.14Å; S116-Q119 PolarHBondContact OG-OE1 3.3Å; I117-Q119 PolarHBondContact O-N 3.21Å; Q119-R121 PolarHBondContact O-N 2.9Å; Q119-R122 VanDerWaalsContact CG-NH2 3.26Å; Q119-R122 PolarHBondContact O-N 2.98Å; Q119-Q123 PolarHBondContact O-N 3.31Å
120	K	95.8	Very high	95.8	Very high	30 Å²	30	51.9 Å²	51.9	13%	0.13	25%	0.254	C	S	.	.	H	α-helix	trans	-56.6	-46.9	176.1	-70.2	-61.9	-158.4	158.6	0	111.9	Q115 S116 I117 R122 Q123 M124 F129 L165 W313 M316	Q115-K120 HydrophobicContact CB-CD 4.43Å; Q115-K120 HydrophobicContact CB-CG 4.28Å; S116-K120 PolarHBondContact O-N 3.46Å; S116-K120 VanDerWaalsContact O-N 3.1Å; I117-K120 PolarHBondContact O-N 2.54Å; K120-R122 VanDerWaalsContact C-N 3.31Å; K120-R122 PolarHBondContact O-N 2.78Å; K120-Q123 WeakPolarHBondContact O-CB 3.49Å; K120-Q123 PolarHBondContact O-N 3Å; K120-M124 PolarHBondContact O-N 3.28Å; K120-F129 HydrophobicContact CB-CE1 4.38Å; K120-F129 HydrophobicContact CB-CZ 4.01Å; K120-L165 HydrophobicContact CG-CD1 4.34Å; K120-W313 HydrophobicContact CB-CB 4.14Å; K120-W313 HydrophobicContact CB-CE3 4.46Å; K120-W313 HydrophobicContact CD-CB 3.7Å; K120-W313 HydrophobicContact CG-CB 3.99Å; K120-W313 HydrophobicContact CG-CG 4.49Å; K120-W313 PolarHBondContact NZ-O 3.29Å; K120-M316 HydrophobicContact CD-CE 4.18Å; K120-M316 HydrophobicContact CD-SD 3.89Å
121	R	96.6	Very high	95.8	Very high	16 Å²	16	54.4 Å²	54.4	6%	0.06	27%	0.268	C	S	.	.	H	α-helix	trans	-58.6	-41.2	178.2	-171.2	-179	67.3	92.4	-12.2	112.2	I117 Q119 Q123 M124 K127 F129 L160 E234 G238	I117-R121 WeakPolarHBondContact O-CB 3.03Å; I117-R121 PolarHBondContact O-N 3.49Å; Q119-R121 PolarHBondContact O-N 2.9Å; R121-Q123 PolarHBondContact O-N 3Å; R121-M124 WeakPolarHBondContact O-CB 3.23Å; R121-M124 PolarHBondContact O-N 3.15Å; R121-M124 VanDerWaalsContact O-N 3.08Å; R121-K127 WeakPolarHBondContact CD-O 3.36Å; R121-K127 WeakPolarHBondContact CG-O 3.3Å; R121-K127 PolarHBondContact NH1-O 3.32Å; R121-K127 WeakPolarHBondContact O-CA 3.34Å; R121-F129 HydrophobicContact CB-CD2 4.36Å; R121-F129 HydrophobicContact CB-CE1 4.29Å; R121-F129 HydrophobicContact CB-CE2 3.6Å; R121-F129 HydrophobicContact CB-CZ 3.57Å; R121-F129 HydrophobicContact CG-CD2 4.27Å; R121-F129 HydrophobicContact CG-CE2 3.99Å; R121-F129 HydrophobicContact CG-CZ 4.26Å; R121-F129 VanDerWaalsContact N-CZ 3.29Å; R121-L160 HydrophobicContact CB-CD1 4.36Å; R121-E234 IonicContact CZ-OE2 3.5Å; R121-E234 IonicContact NE-OE2 2.77Å; R121-E234 IonicContact NH2-OE1 2.78Å; R121-E234 PolarHBondContact NH2-OE1 3.22Å; R121-E234 IonicContact NH2-OE2 3.33Å; R121-E234 PolarHBondContact NH2-OE2 2.82Å; R121-G238 PolarHBondContact NH1-O 3.4Å; R121-G238 VanDerWaalsContact NH1-O 3.09Å
122	R	95.3	Very high	96	Very high	140 Å²	140	53.8 Å²	53.8	53%	0.528	27%	0.266	S	S	.	.	H	α-helix	trans	-66.7	-20.8	179.8	-76.3	-171.2	-60.8	-89.3	8.8	113.6	G118 Q119 K120 M124	G118-R122 WeakPolarHBondContact O-CG 3.3Å; G118-R122 PolarHBondContact O-N 3.19Å; G118-R122 PolarHBondContact O-NH1 2.96Å; Q119-R122 VanDerWaalsContact CG-NH2 3.26Å; Q119-R122 PolarHBondContact O-N 2.98Å; K120-R122 VanDerWaalsContact C-N 3.31Å; K120-R122 PolarHBondContact O-N 2.78Å; R122-M124 VanDerWaalsContact C-N 3.35Å
123	Q	95.4	Very high	96.1	Very high	95 Å²	95	52.7 Å²	52.7	44%	0.444	26%	0.261	S	S	.	.	H	α-helix	trans	-84.9	-12.1	175.7	-67	155.8	-7	0	0	112.1	Q119 K120 R121 M316	Q119-Q123 PolarHBondContact O-N 3.31Å; K120-Q123 WeakPolarHBondContact O-CB 3.49Å; K120-Q123 PolarHBondContact O-N 3Å; R121-Q123 PolarHBondContact O-N 3Å; Q123-M316 HydrophobicContact CB-CE 4.1Å; Q123-M316 HydrophobicContact CB-SD 4.47Å; Q123-M316 HydrophobicContact CG-CE 4.47Å
124	M	95.5	Very high	96.2	Very high	19 Å²	19	51.7 Å²	51.7	9%	0.094	26%	0.255	C	S	.	.	S	Bend	trans	-77.9	152.1	178.6	-59.4	-64.9	96.4	0	0	112.4	K120 R121 R122 E126 K127 R128 F129 D312 M316	K120-M124 PolarHBondContact O-N 3.28Å; R121-M124 WeakPolarHBondContact O-CB 3.23Å; R121-M124 PolarHBondContact O-N 3.15Å; R121-M124 VanDerWaalsContact O-N 3.08Å; R122-M124 VanDerWaalsContact C-N 3.35Å; M124-E126 PolarHBondContact O-N 2.93Å; M124-K127 PolarHBondContact O-N 3.19Å; M124-R128 WeakPolarHBondContact CB-O 3.19Å; M124-R128 WeakPolarHBondContact CG-O 3.46Å; M124-F129 HydrophobicContact CG-CD1 3.48Å; M124-F129 VanDerWaalsContact CG-CD1 3.48Å; M124-F129 HydrophobicContact CG-CE1 3.41Å; M124-F129 VanDerWaalsContact CG-CE1 3.41Å; M124-F129 HydrophobicContact CG-CZ 4.48Å; M124-F129 HydrophobicContact SD-CD1 3.9Å; M124-F129 HydrophobicContact SD-CE1 3.89Å; M124-D312 HydrophobicContact SD-CB 3.57Å; M124-D312 VanDerWaalsContact SD-CB 3.57Å; M124-M316 HydrophobicContact CE-CG 3.39Å; M124-M316 HydrophobicContact CE-SD 3.2Å; M124-M316 WeakPolarHBondContact CE-SD 3.47Å
125	P	94	Very high	96.5	Very high	108 Å²	108	50.4 Å²	50.4	70%	0.701	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-49.6	137.8	164.2	-25.2	34.9	0	0	0	111.2	K127 R128	P125-K127 PolarHBondContact O-N 3.44Å; P125-R128 PolarHBondContact O-N 2.81Å
126	E	94.3	Very high	96.7	Very high	138 Å²	138	47.3 Å²	47.3	65%	0.645	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	56.1	10.1	-178.9	-59.5	172.7	178	0	0	114.7	M124 R128	M124-E126 PolarHBondContact O-N 2.93Å; E126-R128 VanDerWaalsContact C-N 3.26Å; E126-R128 HydrophobicContact CB-CG 4.19Å; E126-R128 PolarHBondContact O-N 2.86Å; E126-R128 IonicContact OE2-CZ 3.31Å; E126-R128 VanDerWaalsContact OE2-CZ 3.31Å; E126-R128 IonicContact OE2-NE 2.71Å; E126-R128 PolarHBondContact OE2-NE 3.24Å; E126-R128 IonicContact OE2-NH2 3.01Å; E126-R128 PolarHBondContact OE2-NH2 2.91Å
127	K	96.2	Very high	96.9	Very high	116 Å²	116	46.6 Å²	46.6	50%	0.504	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	55	38.5	-173.1	-54.1	175.1	-178.2	170.7	0	112.3	R121 M124 P125	R121-K127 WeakPolarHBondContact CD-O 3.36Å; R121-K127 WeakPolarHBondContact CG-O 3.3Å; R121-K127 PolarHBondContact NH1-O 3.32Å; R121-K127 WeakPolarHBondContact O-CA 3.34Å; M124-K127 PolarHBondContact O-N 3.19Å; P125-K127 PolarHBondContact O-N 3.44Å
128	R	97.4	Very high	97	Very high	101 Å²	101	46.7 Å²	46.7	38%	0.381	22%	0.223	S	C	.	.			trans	-132.2	161.4	176.6	71.2	-174.7	175.7	91.1	2.1	111.1	M124 P125 E126 M235 I236	M124-R128 WeakPolarHBondContact CB-O 3.19Å; M124-R128 WeakPolarHBondContact CG-O 3.46Å; P125-R128 PolarHBondContact O-N 2.81Å; E126-R128 VanDerWaalsContact C-N 3.26Å; E126-R128 HydrophobicContact CB-CG 4.19Å; E126-R128 PolarHBondContact O-N 2.86Å; E126-R128 IonicContact OE2-CZ 3.31Å; E126-R128 VanDerWaalsContact OE2-CZ 3.31Å; E126-R128 IonicContact OE2-NE 2.71Å; E126-R128 PolarHBondContact OE2-NE 3.24Å; E126-R128 IonicContact OE2-NH2 3.01Å; E126-R128 PolarHBondContact OE2-NH2 2.91Å; R128-M235 WeakPolarHBondContact CA-O 3.42Å; R128-M235 WeakPolarHBondContact CB-O 3.37Å; R128-I236 WeakPolarHBondContact CD-O 3.2Å
129	F	98.2	Very high	97.1	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.009	23%	0.227	C	C	.	.			trans	-99.4	160.7	171.6	-67	-54.3	0	0	0	110.1	I117 K120 R121 M124 T133 S134 M235 D312 W313	I117-F129 HydrophobicContact CG2-CE2 3.61Å; I117-F129 HydrophobicContact CG2-CZ 4.01Å; K120-F129 HydrophobicContact CB-CE1 4.38Å; K120-F129 HydrophobicContact CB-CZ 4.01Å; R121-F129 HydrophobicContact CB-CD2 4.36Å; R121-F129 HydrophobicContact CB-CE1 4.29Å; R121-F129 HydrophobicContact CB-CE2 3.6Å; R121-F129 HydrophobicContact CB-CZ 3.57Å; R121-F129 HydrophobicContact CG-CD2 4.27Å; R121-F129 HydrophobicContact CG-CE2 3.99Å; R121-F129 HydrophobicContact CG-CZ 4.26Å; R121-F129 VanDerWaalsContact N-CZ 3.29Å; M124-F129 HydrophobicContact CG-CD1 3.48Å; M124-F129 VanDerWaalsContact CG-CD1 3.48Å; M124-F129 HydrophobicContact CG-CE1 3.41Å; M124-F129 VanDerWaalsContact CG-CE1 3.41Å; M124-F129 HydrophobicContact CG-CZ 4.48Å; M124-F129 HydrophobicContact SD-CD1 3.9Å; M124-F129 HydrophobicContact SD-CE1 3.89Å; F129-T133 HydrophobicContact CB-CG2 3.6Å; F129-T133 HydrophobicContact CD1-CG2 3.68Å; F129-T133 HydrophobicContact CD2-CG2 4.02Å; F129-T133 HydrophobicContact CE1-CG2 4.33Å; F129-T133 HydrophobicContact CG-CG2 3.51Å; F129-S134 WeakPolarHBondContact CB-OG 3.35Å; F129-M235 HydrophobicContact CD2-CB 4.16Å; F129-M235 HydrophobicContact CD2-CG 3.96Å; F129-M235 HydrophobicContact CD2-SD 3.95Å; F129-M235 HydrophobicContact CE2-CG 4.4Å; F129-M235 HydrophobicContact CE2-SD 4.23Å; F129-M235 PolarHBondContact N-O 3.34Å; F129-D312 WeakPolarHBondContact CA-OD2 3.46Å; F129-D312 VanDerWaalsContact CB-OD2 3.28Å; F129-D312 WeakPolarHBondContact CB-OD2 3.13Å; F129-D312 HydrophobicContact CD1-CB 4.09Å; F129-D312 WeakPolarHBondContact CD1-OD2 3.42Å; F129-W313 HydrophobicContact CD1-CE3 4.3Å; F129-W313 HydrophobicContact CD2-CZ3 4.46Å; F129-W313 AromaticContact CE1-CE3 3.64Å; F129-W313 HydrophobicContact CE1-CE3 3.64Å; F129-W313 HydrophobicContact CE1-CZ3 4.11Å; F129-W313 HydrophobicContact CE2-CE3 4.29Å; F129-W313 AromaticContact CE2-CZ3 3.99Å; F129-W313 HydrophobicContact CE2-CZ3 3.99Å; F129-W313 AromaticContact CZ-CE3 3.62Å; F129-W313 HydrophobicContact CZ-CE3 3.62Å; F129-W313 AromaticContact CZ-CZ3 3.79Å; F129-W313 HydrophobicContact CZ-CZ3 3.79Å
130	S	97.9	Very high	97.2	Very high	42 Å²	42	44.9 Å²	44.9	29%	0.294	22%	0.216	S	C	.	.			trans	-59.7	162.1	165.3	68.7	0	0	0	0	110.8	S132 T133 S134 D312	S130-S132 VanDerWaalsContact C-N 3.26Å; S130-S132 PolarHBondContact O-N 3.49Å; S130-T133 PolarHBondContact O-N 2.89Å; S130-T133 PolarHBondContact OG-N 3.27Å; S130-T133 VanDerWaalsContact OG-N 3.17Å; S130-T133 PolarHBondContact OG-OG1 2.93Å; S130-S134 VanDerWaalsContact O-CB 3.27Å; S130-S134 WeakPolarHBondContact O-CB 3.49Å; S130-S134 PolarHBondContact O-N 3.05Å; S130-S134 PolarHBondContact O-OG 2.67Å; S130-D312 WeakPolarHBondContact CB-OD1 3.44Å; S130-D312 PolarHBondContact N-OD2 2.64Å; S130-D312 PolarHBondContact OG-OD1 3.13Å; S130-D312 PolarHBondContact OG-OD2 2.93Å
131	L	98.3	Very high	97.3	Very high	68 Å²	68	43.5 Å²	43.5	36%	0.356	21%	0.21	S	C	.	.	H	α-helix	trans	-61	-38.2	172.7	-69.9	173.4	0	0	0	111.3	S134 L135 I236 P268 L303 I305	L131-S134 PolarHBondContact O-N 2.79Å; L131-L135 VanDerWaalsContact O-CB 3.3Å; L131-L135 WeakPolarHBondContact O-CB 3.31Å; L131-L135 VanDerWaalsContact O-CG 3.24Å; L131-L135 WeakPolarHBondContact O-CG 3.26Å; L131-L135 PolarHBondContact O-N 3.03Å; L131-I236 HydrophobicContact CD2-CB 4.49Å; L131-I236 HydrophobicContact CD2-CD1 4.12Å; L131-I236 HydrophobicContact CD2-CG1 4.07Å; L131-I236 HydrophobicContact CD2-CG2 3.67Å; L131-P268 HydrophobicContact CD2-CG 3.94Å; L131-L303 HydrophobicContact CB-CD1 4.46Å; L131-L303 HydrophobicContact CD1-CD1 3.95Å; L131-I305 HydrophobicContact CB-CD1 4.19Å
132	S	98.3	Very high	97.4	Very high	17 Å²	17	42.7 Å²	42.7	12%	0.119	21%	0.207	C	C	.	.	H	α-helix	trans	-57.5	-54.5	176.6	179.5	0	0	0	0	111.4	S130 R136 I305 D309	S130-S132 VanDerWaalsContact C-N 3.26Å; S130-S132 PolarHBondContact O-N 3.49Å; S132-R136 WeakPolarHBondContact O-CB 3.43Å; S132-R136 WeakPolarHBondContact O-CG 3.36Å; S132-R136 PolarHBondContact O-N 3.36Å; S132-R136 PolarHBondContact O-NE 3.17Å; S132-R136 VanDerWaalsContact O-NE 3.1Å; S132-R136 PolarHBondContact OG-NE 3.02Å; S132-R136 VanDerWaalsContact OG-NE 3.07Å; S132-R136 PolarHBondContact OG-NH2 3.26Å; S132-I305 WeakPolarHBondContact OG-CG2 3.46Å; S132-D309 WeakPolarHBondContact OG-CB 3.26Å; S132-D309 PolarHBondContact OG-OD2 3.26Å
133	T	98.3	Very high	97.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-62.6	-46.1	178	-70.2	0	0	0	0	111.9	F129 S130 L135 A137 Y311 D312 W313	F129-T133 HydrophobicContact CB-CG2 3.6Å; F129-T133 HydrophobicContact CD1-CG2 3.68Å; F129-T133 HydrophobicContact CD2-CG2 4.02Å; F129-T133 HydrophobicContact CE1-CG2 4.33Å; F129-T133 HydrophobicContact CG-CG2 3.51Å; S130-T133 PolarHBondContact O-N 2.89Å; S130-T133 PolarHBondContact OG-N 3.27Å; S130-T133 VanDerWaalsContact OG-N 3.17Å; S130-T133 PolarHBondContact OG-OG1 2.93Å; T133-L135 PolarHBondContact O-N 3.23Å; T133-A137 WeakPolarHBondContact O-CB 3.25Å; T133-A137 PolarHBondContact O-N 3.25Å; T133-Y311 HydrophobicContact CG2-CD1 4.01Å; T133-Y311 WeakPolarHBondContact OG1-CA 3.29Å; T133-D312 WeakPolarHBondContact CB-OD2 3.11Å; T133-D312 HydrophobicContact CG2-CB 4.49Å; T133-D312 PolarHBondContact OG1-N 2.93Å; T133-D312 PolarHBondContact OG1-OD1 3.44Å; T133-D312 PolarHBondContact OG1-OD2 2.81Å; T133-W313 HydrophobicContact CG2-CE3 3.78Å; T133-W313 HydrophobicContact CG2-CH2 3.87Å; T133-W313 HydrophobicContact CG2-CZ3 3.33Å
134	S	98.6	Very high	97.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.2	-43.3	-176.7	-61	0	0	0	0	112.8	F129 S130 L131 T138	F129-S134 WeakPolarHBondContact CB-OG 3.35Å; S130-S134 VanDerWaalsContact O-CB 3.27Å; S130-S134 WeakPolarHBondContact O-CB 3.49Å; S130-S134 PolarHBondContact O-N 3.05Å; S130-S134 PolarHBondContact O-OG 2.67Å; L131-S134 PolarHBondContact O-N 2.79Å; S134-T138 VanDerWaalsContact O-CB 3.31Å; S134-T138 WeakPolarHBondContact O-CB 3.24Å; S134-T138 PolarHBondContact O-N 2.81Å; S134-T138 PolarHBondContact O-OG1 2.83Å
135	L	98.7	Very high	97.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-71.8	-47.2	-178.4	-69.5	171.9	0	0	0	111	L131 T133 A137 T138 A139 P268 F271 I296 A299 M300 L303 I305	L131-L135 VanDerWaalsContact O-CB 3.3Å; L131-L135 WeakPolarHBondContact O-CB 3.31Å; L131-L135 VanDerWaalsContact O-CG 3.24Å; L131-L135 WeakPolarHBondContact O-CG 3.26Å; L131-L135 PolarHBondContact O-N 3.03Å; T133-L135 PolarHBondContact O-N 3.23Å; L135-A137 PolarHBondContact O-N 3.23Å; L135-T138 WeakPolarHBondContact O-CB 3.48Å; L135-T138 PolarHBondContact O-N 3Å; L135-T138 VanDerWaalsContact O-N 3.16Å; L135-A139 PolarHBondContact O-N 3.03Å; L135-P268 HydrophobicContact CD2-CG 4.44Å; L135-F271 HydrophobicContact CD2-CE2 3.86Å; L135-F271 HydrophobicContact CD2-CZ 4.31Å; L135-I296 HydrophobicContact CB-CG2 4.04Å; L135-I296 HydrophobicContact CD2-CD1 4.25Å; L135-I296 HydrophobicContact CD2-CG2 4.17Å; L135-I296 WeakPolarHBondContact O-CG2 3.26Å; L135-A299 HydrophobicContact CD1-CB 3.95Å; L135-A299 HydrophobicContact CD2-CB 4.09Å; L135-M300 HydrophobicContact CB-CG 3.78Å; L135-M300 HydrophobicContact CB-SD 4.29Å; L135-M300 HydrophobicContact CD1-CG 4.05Å; L135-L303 HydrophobicContact CD1-CD1 4.03Å; L135-I305 HydrophobicContact CD1-CD1 3.68Å
136	R	98.3	Very high	98.1	Very high	5 Å²	5	29.8 Å²	29.8	2%	0.019	15%	0.146	C	C	.	.	H	α-helix	trans	-64.7	-38.5	178.8	-69.6	-179.3	-67.2	123.4	-3.2	112.6	S132 A139 Q140 M300 I305 A306 D309 P310 Y311	S132-R136 WeakPolarHBondContact O-CB 3.43Å; S132-R136 WeakPolarHBondContact O-CG 3.36Å; S132-R136 PolarHBondContact O-N 3.36Å; S132-R136 PolarHBondContact O-NE 3.17Å; S132-R136 VanDerWaalsContact O-NE 3.1Å; S132-R136 PolarHBondContact OG-NE 3.02Å; S132-R136 VanDerWaalsContact OG-NE 3.07Å; S132-R136 PolarHBondContact OG-NH2 3.26Å; R136-A139 PolarHBondContact O-N 2.78Å; R136-Q140 PolarHBondContact O-N 3.18Å; R136-M300 HydrophobicContact CG-CE 3.6Å; R136-M300 HydrophobicContact CG-SD 4.02Å; R136-I305 HydrophobicContact CG-CG2 4.34Å; R136-A306 WeakPolarHBondContact CD-O 3.41Å; R136-D309 PolarHBondContact NH1-O 2.98Å; R136-D309 PolarHBondContact NH2-O 3.46Å; R136-P310 PolarHBondContact NH2-O 3.49Å; R136-Y311 HydrophobicContact CB-CE1 3.78Å; R136-Y311 VanDerWaalsContact NH1-CD2 3.33Å; R136-Y311 VanDerWaalsContact NH1-CE1 3.3Å
137	A	98.3	Very high	98.4	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-64.6	-43.4	173.3	0	0	0	0	0	111.3	T133 L135 A139 Q140 M141 W313	T133-A137 WeakPolarHBondContact O-CB 3.25Å; T133-A137 PolarHBondContact O-N 3.25Å; L135-A137 PolarHBondContact O-N 3.23Å; A137-A139 PolarHBondContact O-N 2.98Å; A137-Q140 PolarHBondContact O-N 3.18Å; A137-M141 HydrophobicContact CB-CE 3.92Å; A137-M141 VanDerWaalsContact O-CG 3.25Å; A137-M141 WeakPolarHBondContact O-CG 3.07Å; A137-M141 PolarHBondContact O-N 3.1Å; A137-W313 HydrophobicContact CB-CH2 4.04Å
138	T	98.7	Very high	98.5	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.006	11%	0.105	C	C	.	.	H	α-helix	trans	-59.7	-42.9	175.9	-58.6	0	0	0	0	111.9	S134 L135 Q140 M141 I142 L228 C232 M235 I296	S134-T138 VanDerWaalsContact O-CB 3.31Å; S134-T138 WeakPolarHBondContact O-CB 3.24Å; S134-T138 PolarHBondContact O-N 2.81Å; S134-T138 PolarHBondContact O-OG1 2.83Å; L135-T138 WeakPolarHBondContact O-CB 3.48Å; L135-T138 PolarHBondContact O-N 3Å; L135-T138 VanDerWaalsContact O-N 3.16Å; T138-Q140 VanDerWaalsContact C-N 3.33Å; T138-Q140 PolarHBondContact O-N 3.28Å; T138-M141 WeakPolarHBondContact O-CB 3.35Å; T138-M141 PolarHBondContact O-N 3.44Å; T138-M141 VanDerWaalsContact O-N 3.07Å; T138-I142 HydrophobicContact CG2-CD1 4.17Å; T138-I142 HydrophobicContact CG2-CG1 4.39Å; T138-I142 WeakPolarHBondContact O-CG1 3.37Å; T138-I142 PolarHBondContact O-N 3.25Å; T138-L228 HydrophobicContact CG2-CD2 4.42Å; T138-C232 PolarHBondContact OG1-SG 2.92Å; T138-M235 WeakPolarHBondContact OG1-CE 3.33Å; T138-I296 HydrophobicContact CG2-CD1 3.79Å; T138-I296 HydrophobicContact CG2-CG1 4.04Å
139	A	98.6	Very high	98.5	Very high	12 Å²	12	15.8 Å²	15.8	10%	0.099	9%	0.087	C	C	.	.	H	α-helix	trans	-56.7	-46.1	176.2	0	0	0	0	0	111.9	L135 R136 A137 M141 I142 V143 L293 I296	L135-A139 PolarHBondContact O-N 3.03Å; R136-A139 PolarHBondContact O-N 2.78Å; A137-A139 PolarHBondContact O-N 2.98Å; A139-M141 VanDerWaalsContact C-N 3.33Å; A139-M141 PolarHBondContact O-N 2.91Å; A139-I142 PolarHBondContact O-N 2.94Å; A139-V143 WeakPolarHBondContact O-CG2 3.23Å; A139-V143 PolarHBondContact O-N 3.44Å; A139-L293 HydrophobicContact CB-CD1 3.8Å; A139-I296 HydrophobicContact CB-CG2 4.04Å
140	Q	98.3	Very high	98.5	Very high	33 Å²	33	19.3 Å²	19.3	15%	0.154	11%	0.105	C	C	.	.	H	α-helix	trans	-62.8	-38.4	174.6	-65.9	-168.8	59.7	0	0	112.7	R136 A137 T138 V143 A144 N173 V175 Y311	R136-Q140 PolarHBondContact O-N 3.18Å; A137-Q140 PolarHBondContact O-N 3.18Å; T138-Q140 VanDerWaalsContact C-N 3.33Å; T138-Q140 PolarHBondContact O-N 3.28Å; Q140-V143 PolarHBondContact O-N 3.43Å; Q140-A144 WeakPolarHBondContact O-CB 3.22Å; Q140-A144 PolarHBondContact O-N 3.28Å; Q140-N173 PolarHBondContact NE2-O 3.42Å; Q140-N173 PolarHBondContact OE1-O 3.2Å; Q140-V175 HydrophobicContact CB-CB 4.03Å; Q140-V175 HydrophobicContact CB-CG2 3.94Å; Q140-V175 HydrophobicContact CG-CG2 4.49Å; Q140-Y311 PolarHBondContact NE2-OH 3.15Å
141	M	98.8	Very high	98.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66	-37.6	178	-65.4	166.5	-165.5	0	0	112.3	I117 A137 T138 A139 A144 I145 L160 M163 V175 L228 V231 M235	I117-M141 HydrophobicContact CD1-CE 3.71Å; A137-M141 HydrophobicContact CB-CE 3.92Å; A137-M141 VanDerWaalsContact O-CG 3.25Å; A137-M141 WeakPolarHBondContact O-CG 3.07Å; A137-M141 PolarHBondContact O-N 3.1Å; T138-M141 WeakPolarHBondContact O-CB 3.35Å; T138-M141 PolarHBondContact O-N 3.44Å; T138-M141 VanDerWaalsContact O-N 3.07Å; A139-M141 VanDerWaalsContact C-N 3.33Å; A139-M141 PolarHBondContact O-N 2.91Å; M141-A144 PolarHBondContact O-N 3.16Å; M141-I145 WeakPolarHBondContact O-CB 3.43Å; M141-I145 WeakPolarHBondContact O-CD1 3.14Å; M141-I145 WeakPolarHBondContact O-CG1 3.41Å; M141-I145 PolarHBondContact O-N 3.42Å; M141-L160 HydrophobicContact CE-CD2 3.91Å; M141-M163 HydrophobicContact CB-CE 4.32Å; M141-M163 HydrophobicContact CE-SD 3.57Å; M141-M163 VanDerWaalsContact CE-SD 3.57Å; M141-M163 HydrophobicContact CG-CE 3.84Å; M141-M163 HydrophobicContact CG-SD 3.69Å; M141-M163 HydrophobicContact SD-CE 3.97Å; M141-M163 HydrophobicContact SD-SD 3.56Å; M141-V175 HydrophobicContact CG-CG1 4.21Å; M141-L228 HydrophobicContact CB-CD1 3.65Å; M141-L228 HydrophobicContact CB-CD2 4.37Å; M141-L228 HydrophobicContact CG-CD1 4.22Å; M141-L228 HydrophobicContact SD-CD1 3.6Å; M141-L228 VanDerWaalsContact SD-CD1 3.6Å; M141-V231 HydrophobicContact SD-CG1 4.37Å; M141-M235 HydrophobicContact CE-CE 3.98Å; M141-M235 HydrophobicContact CE-SD 4.09Å; M141-M235 HydrophobicContact SD-CE 4.17Å
142	I	98.9	Very high	98.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.6	-50.3	175.3	-66.2	168.3	0	0	0	109.8	T138 A139 A144 I145 Q146 F225 L228 F274 L292 L293 I296	T138-I142 HydrophobicContact CG2-CD1 4.17Å; T138-I142 HydrophobicContact CG2-CG1 4.39Å; T138-I142 WeakPolarHBondContact O-CG1 3.37Å; T138-I142 PolarHBondContact O-N 3.25Å; A139-I142 PolarHBondContact O-N 2.94Å; I142-A144 PolarHBondContact O-N 2.95Å; I142-I145 PolarHBondContact O-N 3.12Å; I142-Q146 WeakPolarHBondContact O-CB 3.45Å; I142-Q146 PolarHBondContact O-N 3.02Å; I142-F225 HydrophobicContact CB-CE1 4.46Å; I142-F225 HydrophobicContact CG1-CE1 4.16Å; I142-F225 HydrophobicContact CG2-CE1 4.2Å; I142-F225 HydrophobicContact CG2-CZ 4.47Å; I142-L228 HydrophobicContact CG1-CD2 3.71Å; I142-F274 HydrophobicContact CD1-CE2 4.21Å; I142-L292 HydrophobicContact CD1-CB 4.24Å; I142-L292 HydrophobicContact CG2-CB 4.4Å; I142-L293 HydrophobicContact CG2-CB 4.42Å; I142-I296 HydrophobicContact CD1-CG1 3.64Å
143	V	98.7	Very high	98.5	Very high	38 Å²	38	15.5 Å²	15.5	23%	0.23	8%	0.083	C	C	.	.	H	α-helix	trans	-60.1	-46.9	178.4	175.8	0	0	0	0	110.8	A139 Q140 I145 Q146 E147 L293	A139-V143 WeakPolarHBondContact O-CG2 3.23Å; A139-V143 PolarHBondContact O-N 3.44Å; Q140-V143 PolarHBondContact O-N 3.43Å; V143-I145 PolarHBondContact O-N 3Å; V143-Q146 WeakPolarHBondContact O-CB 3.49Å; V143-Q146 PolarHBondContact O-N 3.45Å; V143-E147 HydrophobicContact CG1-CG 4.35Å; V143-E147 WeakPolarHBondContact O-CG 3.45Å; V143-E147 PolarHBondContact O-N 2.65Å; V143-L293 HydrophobicContact CG2-CD2 4.46Å
144	A	98.7	Very high	98.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.6	-41.4	179.7	0	0	0	0	0	113.1	H92 Q140 M141 I142 L148 L177	H92-A144 HydrophobicContact CB-CB 3.45Å; H92-A144 VanDerWaalsContact CB-CB 3.45Å; Q140-A144 WeakPolarHBondContact O-CB 3.22Å; Q140-A144 PolarHBondContact O-N 3.28Å; M141-A144 PolarHBondContact O-N 3.16Å; I142-A144 PolarHBondContact O-N 2.95Å; A144-L148 WeakPolarHBondContact O-CB 3.44Å; A144-L148 PolarHBondContact O-N 3.39Å; A144-L148 VanDerWaalsContact O-N 3.1Å; A144-L177 HydrophobicContact CB-CD1 3.72Å; A144-L177 HydrophobicContact CB-CD2 4.35Å; A144-L177 HydrophobicContact CB-CG 3.78Å
145	I	98.9	Very high	98.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-68	-41.8	177	-70.7	167.1	0	0	0	110.5	M141 I142 V143 L148 H149 I158 L177 D224 F225 L228	M141-I145 WeakPolarHBondContact O-CB 3.43Å; M141-I145 WeakPolarHBondContact O-CD1 3.14Å; M141-I145 WeakPolarHBondContact O-CG1 3.41Å; M141-I145 PolarHBondContact O-N 3.42Å; I142-I145 PolarHBondContact O-N 3.12Å; V143-I145 PolarHBondContact O-N 3Å; I145-L148 PolarHBondContact O-N 3.06Å; I145-H149 WeakPolarHBondContact CG2-CE1 3.47Å; I145-H149 WeakPolarHBondContact O-CB 3.3Å; I145-H149 PolarHBondContact O-CD2 3.4Å; I145-H149 PolarHBondContact O-N 3.46Å; I145-I158 HydrophobicContact CD1-CD1 3.84Å; I145-I158 HydrophobicContact CD1-CG1 4.15Å; I145-I158 HydrophobicContact CD1-CG2 4.31Å; I145-I158 HydrophobicContact CG1-CD1 3.85Å; I145-L177 HydrophobicContact CG1-CD1 4.5Å; I145-D224 HydrophobicContact CG2-CB 4.21Å; I145-F225 HydrophobicContact CB-CZ 4.24Å; I145-F225 HydrophobicContact CG2-CD2 4.43Å; I145-F225 HydrophobicContact CG2-CE2 3.69Å; I145-F225 HydrophobicContact CG2-CZ 3.72Å; I145-L228 HydrophobicContact CD1-CB 4.34Å; I145-L228 HydrophobicContact CD1-CD2 4.07Å
146	Q	98.8	Very high	98.4	Very high	53 Å²	53	16.7 Å²	16.7	25%	0.248	9%	0.087	C	C	.	.	H	α-helix	trans	-57.6	-52.6	175.2	-179.6	-177.9	-16.9	0	0	111.3	I142 V143 L148 H149 D150 Y289	I142-Q146 WeakPolarHBondContact O-CB 3.45Å; I142-Q146 PolarHBondContact O-N 3.02Å; V143-Q146 WeakPolarHBondContact O-CB 3.49Å; V143-Q146 PolarHBondContact O-N 3.45Å; Q146-L148 VanDerWaalsContact C-N 3.28Å; Q146-L148 PolarHBondContact O-N 2.93Å; Q146-H149 CarbonylContact O-C 3.54Å; Q146-H149 WeakPolarHBondContact O-CA 3.34Å; Q146-H149 WeakPolarHBondContact O-CB 3.45Å; Q146-H149 PolarHBondContact O-N 3.15Å; Q146-D150 WeakPolarHBondContact O-CB 3.48Å; Q146-D150 VanDerWaalsContact O-CG 3.28Å; Q146-D150 PolarHBondContact O-N 2.65Å; Q146-Y289 HydrophobicContact CB-CD1 3.42Å; Q146-Y289 VanDerWaalsContact CB-CD1 3.42Å; Q146-Y289 HydrophobicContact CB-CE1 3.7Å; Q146-Y289 HydrophobicContact CB-CG 3.89Å; Q146-Y289 HydrophobicContact CG-CD1 3.66Å; Q146-Y289 HydrophobicContact CG-CD2 3.85Å; Q146-Y289 HydrophobicContact CG-CE1 3.94Å; Q146-Y289 HydrophobicContact CG-CE2 4.15Å; Q146-Y289 HydrophobicContact CG-CG 3.61Å
147	E	98.7	Very high	98.4	Very high	61 Å²	61	16.8 Å²	16.8	29%	0.285	9%	0.088	S	C	.	.	H	α-helix	trans	-61.2	-38	-178.4	-71	174.7	164.5	0	0	111.2	F87 S90 H92 V143 D150 C151	F87-E147 HydrophobicContact CD2-CB 4.47Å; F87-E147 HydrophobicContact CE2-CB 3.68Å; S90-E147 WeakPolarHBondContact CB-OE2 3.13Å; S90-E147 PolarHBondContact OG-OE2 2.92Å; H92-E147 IonicContact CD2-OE2 3.59Å; H92-E147 PolarHBondContact CD2-OE2 3.1Å; V143-E147 HydrophobicContact CG1-CG 4.35Å; V143-E147 WeakPolarHBondContact O-CG 3.45Å; V143-E147 PolarHBondContact O-N 2.65Å; E147-D150 PolarHBondContact O-N 2.92Å; E147-C151 PolarHBondContact O-N 2.77Å; E147-C151 VanDerWaalsContact O-N 3.1Å; E147-C151 PolarHBondContact O-SG 2.83Å
148	L	98.8	Very high	98.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-63.5	-43.2	172	179	67.3	0	0	0	112.4	V83 F87 A144 I145 Q146 D150 C151 F153 H155 L177 F180	V83-L148 HydrophobicContact CG1-CD1 3.7Å; F87-L148 HydrophobicContact CB-CD1 4.37Å; F87-L148 HydrophobicContact CD1-CD1 4.32Å; F87-L148 HydrophobicContact CD2-CB 4.31Å; F87-L148 HydrophobicContact CD2-CD1 4.48Å; F87-L148 HydrophobicContact CE2-CB 4.13Å; F87-L148 HydrophobicContact CG-CD1 4.16Å; F87-L148 HydrophobicContact CZ-CB 4.38Å; A144-L148 WeakPolarHBondContact O-CB 3.44Å; A144-L148 PolarHBondContact O-N 3.39Å; A144-L148 VanDerWaalsContact O-N 3.1Å; I145-L148 PolarHBondContact O-N 3.06Å; Q146-L148 VanDerWaalsContact C-N 3.28Å; Q146-L148 PolarHBondContact O-N 2.93Å; L148-D150 VanDerWaalsContact C-N 3.28Å; L148-D150 PolarHBondContact O-N 2.81Å; L148-C151 WeakPolarHBondContact O-CB 3.19Å; L148-C151 PolarHBondContact O-N 3.34Å; L148-F153 CarbonylContact C-O 3.47Å; L148-F153 HydrophobicContact CD1-CB 4.01Å; L148-F153 HydrophobicContact CG-CB 4.33Å; L148-F153 PolarHBondContact O-N 3.33Å; L148-H155 HydrophobicContact CD2-CB 3.75Å; L148-L177 HydrophobicContact CD2-CD1 4.41Å; L148-F180 HydrophobicContact CD1-CD1 4.26Å; L148-F180 HydrophobicContact CD1-CE1 4Å; L148-F180 HydrophobicContact CD2-CD1 4.34Å; L148-F180 HydrophobicContact CD2-CE1 4.1Å
149	H	98.7	Very high	98.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.9	-34.6	176	-70.8	179.7	0	0	0	112.1	I145 Q146 C151 G152 F153 Y186 R221 D224 F225 Y289	I145-H149 WeakPolarHBondContact CG2-CE1 3.47Å; I145-H149 WeakPolarHBondContact O-CB 3.3Å; I145-H149 PolarHBondContact O-CD2 3.4Å; I145-H149 PolarHBondContact O-N 3.46Å; Q146-H149 CarbonylContact O-C 3.54Å; Q146-H149 WeakPolarHBondContact O-CA 3.34Å; Q146-H149 WeakPolarHBondContact O-CB 3.45Å; Q146-H149 PolarHBondContact O-N 3.15Å; H149-C151 VanDerWaalsContact C-N 3.31Å; H149-G152 WeakPolarHBondContact O-CA 3.37Å; H149-G152 PolarHBondContact O-N 3.44Å; H149-F153 VanDerWaalsContact CA-O 3.28Å; H149-F153 WeakPolarHBondContact CA-O 3.43Å; H149-F153 PolarHBondContact CD2-O 2.65Å; H149-F153 PolarHBondContact N-O 3.22Å; H149-Y186 WeakPolarHBondContact O-CE1 3.39Å; H149-Y186 PolarHBondContact O-OH 2.77Å; H149-R221 HydrophobicContact CB-CG 4.4Å; H149-R221 VanDerWaalsContact CE1-CB 3.47Å; H149-R221 WeakPolarHBondContact CE1-CB 3.48Å; H149-R221 PolarHBondContact CE1-O 3.04Å; H149-D224 IonicContact NE2-OD2 2.72Å; H149-D224 PolarHBondContact NE2-OD2 3.48Å; H149-D224 VanDerWaalsContact NE2-OD2 3.1Å; H149-F225 AromaticContact CE1-CE2 3.98Å; H149-Y289 WeakPolarHBondContact CB-OH 3.26Å; H149-Y289 AromaticContact ND1-CE1 3.73Å; H149-Y289 AromaticContact ND1-CZ 3.7Å; H149-Y289 PolarHBondContact ND1-OH 2.83Å
150	D	97.9	Very high	98.3	Very high	75 Å²	75	17.7 Å²	17.7	40%	0.401	9%	0.09	S	C	.	.	H	α-helix	trans	-72	-27.4	177.6	-69.6	-17.5	0	0	0	111.6	Q146 E147 L148 G152 R286	Q146-D150 WeakPolarHBondContact O-CB 3.48Å; Q146-D150 VanDerWaalsContact O-CG 3.28Å; Q146-D150 PolarHBondContact O-N 2.65Å; E147-D150 PolarHBondContact O-N 2.92Å; L148-D150 VanDerWaalsContact C-N 3.28Å; L148-D150 PolarHBondContact O-N 2.81Å; D150-G152 PolarHBondContact O-N 2.9Å; D150-R286 IonicContact OD1-CZ 2.81Å; D150-R286 IonicContact OD1-NH1 3.97Å; D150-R286 PolarHBondContact OD1-NH1 2.7Å; D150-R286 IonicContact OD1-NH2 2.79Å; D150-R286 PolarHBondContact OD1-NH2 3.04Å; D150-R286 IonicContact OD2-NH2 3.31Å; D150-R286 PolarHBondContact OD2-NH2 3.5Å
151	C	97.5	Very high	98.2	Very high	37 Å²	37	19 Å²	19	25%	0.25	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-1.6	165.5	-61.4	0	0	0	0	113.8	A86 E147 L148 H149 F153	A86-C151 HydrophobicContact CB-CB 4.38Å; A86-C151 PolarHBondContact O-SG 3.07Å; E147-C151 PolarHBondContact O-N 2.77Å; E147-C151 VanDerWaalsContact O-N 3.1Å; E147-C151 PolarHBondContact O-SG 2.83Å; L148-C151 WeakPolarHBondContact O-CB 3.19Å; L148-C151 PolarHBondContact O-N 3.34Å; H149-C151 VanDerWaalsContact C-N 3.31Å; C151-F153 HydrophobicContact CB-CD2 4.33Å; C151-F153 VanDerWaalsContact O-CD2 3.26Å; C151-F153 WeakPolarHBondContact O-CD2 3.45Å; C151-F153 WeakPolarHBondContact O-CE2 3.24Å
152	G	98	Very high	98.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	88	13.2	176.4	0	0	0	0	0	115.5	H149 D150 K185 Y186 I187	H149-G152 WeakPolarHBondContact O-CA 3.37Å; H149-G152 PolarHBondContact O-N 3.44Å; D150-G152 PolarHBondContact O-N 2.9Å; G152-K185 CarbonylContact O-C 3.49Å; G152-K185 VanDerWaalsContact O-CA 3.29Å; G152-K185 WeakPolarHBondContact O-CA 3.37Å; G152-K185 WeakPolarHBondContact O-CG 3.38Å; G152-Y186 WeakPolarHBondContact O-CD1 3.42Å; G152-Y186 PolarHBondContact O-N 3.43Å; G152-I187 VanDerWaalsContact CA-CD1 3.41Å
153	F	98.4	Very high	98	Very high	10 Å²	10	19.6 Å²	19.6	4%	0.044	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	146.7	-179.5	-65.8	-89.7	0	0	0	112.2	V82 V83 A86 L148 H149 C151 R184 K185	V82-F153 HydrophobicContact CG1-CZ 4.13Å; V83-F153 HydrophobicContact CG1-CG 4.37Å; V83-F153 HydrophobicContact CG2-CD1 3.6Å; V83-F153 HydrophobicContact CG2-CE1 3.68Å; V83-F153 HydrophobicContact CG2-CG 4.08Å; V83-F153 HydrophobicContact CG2-CZ 4.24Å; A86-F153 HydrophobicContact CB-CD2 4.46Å; A86-F153 HydrophobicContact CB-CE2 3.85Å; L148-F153 CarbonylContact C-O 3.47Å; L148-F153 HydrophobicContact CD1-CB 4.01Å; L148-F153 HydrophobicContact CG-CB 4.33Å; L148-F153 PolarHBondContact O-N 3.33Å; H149-F153 VanDerWaalsContact CA-O 3.28Å; H149-F153 WeakPolarHBondContact CA-O 3.43Å; H149-F153 PolarHBondContact CD2-O 2.65Å; H149-F153 PolarHBondContact N-O 3.22Å; C151-F153 HydrophobicContact CB-CD2 4.33Å; C151-F153 VanDerWaalsContact O-CD2 3.26Å; C151-F153 WeakPolarHBondContact O-CD2 3.45Å; C151-F153 WeakPolarHBondContact O-CE2 3.24Å; F153-R184 CarbonylContact C-O 3.58Å; F153-R184 WeakPolarHBondContact CA-O 3.47Å; F153-K185 HydrophobicContact CD1-CB 3.9Å; F153-K185 HydrophobicContact CD1-CG 4.29Å; F153-K185 VanDerWaalsContact CD1-N 3.35Å; F153-K185 HydrophobicContact CE1-CB 3.59Å; F153-K185 HydrophobicContact CE1-CD 4.49Å; F153-K185 HydrophobicContact CE1-CG 3.91Å; F153-K185 HydrophobicContact CE2-CG 4.45Å; F153-K185 HydrophobicContact CZ-CB 4.17Å; F153-K185 HydrophobicContact CZ-CD 4.24Å; F153-K185 HydrophobicContact CZ-CG 3.99Å
154	I	98.4	Very high	97.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	146.8	163.8	55	171.7	0	0	0	109.1	R156 A183 R184 Y186 L219 R221	I154-R156 HydrophobicContact CB-CG 4.42Å; I154-R156 HydrophobicContact CD1-CG 3.67Å; I154-R156 HydrophobicContact CG1-CG 3.82Å; I154-A183 CarbonylContact O-C 3.55Å; I154-A183 WeakPolarHBondContact O-CA 3.29Å; I154-A183 WeakPolarHBondContact O-CB 3.37Å; I154-R184 HydrophobicContact CG1-CB 4.19Å; I154-R184 WeakPolarHBondContact CG1-O 3.49Å; I154-R184 PolarHBondContact N-O 2.83Å; I154-R184 PolarHBondContact O-N 3.15Å; I154-Y186 HydrophobicContact CG2-CD1 3.82Å; I154-Y186 HydrophobicContact CG2-CE1 4.43Å; I154-Y186 HydrophobicContact CG2-CG 4.25Å; I154-L219 HydrophobicContact CD1-CB 4.3Å; I154-L219 WeakPolarHBondContact CD1-O 3.23Å; I154-R221 HydrophobicContact CG2-CB 4.32Å; I154-R221 HydrophobicContact CG2-CG 3.62Å
155	H	98.4	Very high	97.8	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	10%	0.098	C	C	.	.			trans	-80.5	-46	-175	-169.6	-47.6	0	0	0	112.9	L148 D157 I158 L178 D179 L182 A183 D224	L148-H155 HydrophobicContact CD2-CB 3.75Å; H155-D157 PolarHBondContact ND1-N 3.47Å; H155-D157 PolarHBondContact O-N 2.86Å; H155-I158 HydrophobicContact CB-CD1 3.63Å; H155-I158 HydrophobicContact CB-CG1 4.19Å; H155-L178 PolarHBondContact NE2-O 3.31Å; H155-L178 VanDerWaalsContact NE2-O 3.1Å; H155-D179 PolarHBondContact CE1-O 3.36Å; H155-D179 VanDerWaalsContact CE1-O 3.26Å; H155-L182 CarbonylContact O-C 3.48Å; H155-A183 PolarHBondContact O-N 3.44Å; H155-D224 PolarHBondContact N-OD2 2.81Å
156	R	97.7	Very high	97.5	Very high	25 Å²	25	18.7 Å²	18.7	9%	0.094	10%	0.101	C	C	.	.	S	Bend	trans	63.6	11	-179.3	-52.9	-169.1	-61.4	173.2	-2.2	116.9	I154 L182 A183 G204 L219 D224	I154-R156 HydrophobicContact CB-CG 4.42Å; I154-R156 HydrophobicContact CD1-CG 3.67Å; I154-R156 HydrophobicContact CG1-CG 3.82Å; R156-L182 HydrophobicContact CB-CB 4.49Å; R156-L182 PolarHBondContact NE-O 2.89Å; R156-L182 PolarHBondContact NH2-O 3.23Å; R156-A183 PolarHBondContact NH2-O 3.45Å; R156-G204 WeakPolarHBondContact O-CA 3.4Å; R156-L219 HydrophobicContact CB-CD1 3.99Å; R156-L219 HydrophobicContact CG-CB 4.12Å; R156-L219 HydrophobicContact CG-CD1 4.03Å; R156-D224 WeakPolarHBondContact CA-OD1 3.5Å; R156-D224 PolarHBondContact N-OD1 3.09Å
157	D	96.9	Very high	96.8	Very high	6 Å²	6	21.2 Å²	21.2	3%	0.032	11%	0.113	C	C	.	.			trans	-151.8	42.8	175.4	-159.5	25.1	0	0	0	112.9	H155 K159 N162 L182 G204 T205	H155-D157 PolarHBondContact ND1-N 3.47Å; H155-D157 PolarHBondContact O-N 2.86Å; D157-K159 PolarHBondContact O-N 2.88Å; D157-K159 IonicContact OD1-NZ 2.93Å; D157-K159 PolarHBondContact OD1-NZ 3.29Å; D157-K159 VanDerWaalsContact OD2-CE 3.23Å; D157-K159 WeakPolarHBondContact OD2-CE 3.33Å; D157-K159 IonicContact OD2-NZ 3.86Å; D157-K159 PolarHBondContact OD2-NZ 3.41Å; D157-N162 PolarHBondContact O-ND2 3.39Å; D157-N162 PolarHBondContact OD2-ND2 3.32Å; D157-L182 HydrophobicContact CB-CB 4.37Å; D157-L182 HydrophobicContact CB-CD1 3.88Å; D157-G204 WeakPolarHBondContact OD1-CA 3.41Å; D157-T205 WeakPolarHBondContact OD1-CB 3.21Å; D157-T205 PolarHBondContact OD1-N 3.07Å; D157-T205 PolarHBondContact OD1-OG1 3.34Å
158	I	98.7	Very high	95.8	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.118	C	C	.	.			trans	-61.4	117.7	177	-61.4	-60.3	0	0	0	110.3	I145 H155 M163 D224 L228 V231	I145-I158 HydrophobicContact CD1-CD1 3.84Å; I145-I158 HydrophobicContact CD1-CG1 4.15Å; I145-I158 HydrophobicContact CD1-CG2 4.31Å; I145-I158 HydrophobicContact CG1-CD1 3.85Å; H155-I158 HydrophobicContact CB-CD1 3.63Å; H155-I158 HydrophobicContact CB-CG1 4.19Å; I158-M163 HydrophobicContact CG2-CE 3.71Å; I158-D224 HydrophobicContact CG1-CB 3.85Å; I158-L228 HydrophobicContact CG2-CB 4.27Å; I158-V231 HydrophobicContact CG2-CG2 4.49Å
159	K	97.7	Very high	94.3	Very high	29 Å²	29	27 Å²	27	13%	0.126	16%	0.155	C	C	.	.			trans	-165.1	158.4	176.9	63.4	-168.5	168.9	-167.6	0	110.8	D157 S161 N162 T205 Y208	D157-K159 PolarHBondContact O-N 2.88Å; D157-K159 IonicContact OD1-NZ 2.93Å; D157-K159 PolarHBondContact OD1-NZ 3.29Å; D157-K159 VanDerWaalsContact OD2-CE 3.23Å; D157-K159 WeakPolarHBondContact OD2-CE 3.33Å; D157-K159 IonicContact OD2-NZ 3.86Å; D157-K159 PolarHBondContact OD2-NZ 3.41Å; K159-S161 WeakPolarHBondContact CD-OG 3.46Å; K159-S161 VanDerWaalsContact CE-OG 3.26Å; K159-S161 WeakPolarHBondContact CE-OG 3.49Å; K159-S161 WeakPolarHBondContact CG-OG 3.4Å; K159-S161 PolarHBondContact O-N 3.05Å; K159-S161 VanDerWaalsContact O-N 3.12Å; K159-N162 WeakPolarHBondContact CE-ND2 3.39Å; K159-N162 WeakPolarHBondContact CE-OD1 3.24Å; K159-N162 HydrophobicContact CG-CB 4.02Å; K159-N162 PolarHBondContact O-N 3.46Å; K159-T205 HydrophobicContact CD-CG2 4.26Å; K159-T205 VanDerWaalsContact CD-OG1 3.22Å; K159-T205 WeakPolarHBondContact CD-OG1 3.48Å; K159-T205 PolarHBondContact NZ-OG1 2.92Å; K159-Y208 HydrophobicContact CB-CD2 3.49Å; K159-Y208 VanDerWaalsContact CB-CD2 3.49Å; K159-Y208 HydrophobicContact CB-CE2 3.67Å; K159-Y208 HydrophobicContact CB-CG 4.28Å
160	L	97.5	Very high	93.1	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.016	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-63.9	-20.2	-177.5	-61	-179.1	0	0	0	115.3	I117 G118 R121 M141 N162 M163 V231 M235	I117-L160 HydrophobicContact CB-CB 4.39Å; I117-L160 HydrophobicContact CB-CD2 4.17Å; I117-L160 HydrophobicContact CG2-CD1 4.41Å; I117-L160 HydrophobicContact CG2-CD2 3.73Å; I117-L160 HydrophobicContact CG2-CG 4.44Å; I117-L160 PolarHBondContact N-O 2.92Å; G118-L160 PolarHBondContact N-O 2.93Å; R121-L160 HydrophobicContact CB-CD1 4.36Å; M141-L160 HydrophobicContact CE-CD2 3.91Å; L160-N162 VanDerWaalsContact C-N 3.28Å; L160-M163 HydrophobicContact CD2-SD 4.31Å; L160-M163 VanDerWaalsContact O-O 3.09Å; L160-V231 HydrophobicContact CD2-CG1 3.36Å; L160-V231 HydrophobicContact CG-CG1 3.77Å; L160-M235 HydrophobicContact CD1-CG 3.76Å; L160-M235 HydrophobicContact CD1-SD 4.35Å; L160-M235 HydrophobicContact CD2-CG 4.14Å; L160-M235 HydrophobicContact CD2-SD 3.75Å; L160-M235 HydrophobicContact CG-CG 4.48Å
161	S	95.5	Very high	92.3	Very high	59 Å²	59	31.2 Å²	31.2	41%	0.413	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-76.4	-19.4	173.9	65.7	0	0	0	0	112.9	K159 M163	K159-S161 WeakPolarHBondContact CD-OG 3.46Å; K159-S161 VanDerWaalsContact CE-OG 3.26Å; K159-S161 WeakPolarHBondContact CE-OG 3.49Å; K159-S161 WeakPolarHBondContact CG-OG 3.4Å; K159-S161 PolarHBondContact O-N 3.05Å; K159-S161 VanDerWaalsContact O-N 3.12Å; S161-M163 VanDerWaalsContact C-N 3.31Å
162	N	96.9	Very high	91.7	Very high	12 Å²	12	36.3 Å²	36.3	6%	0.064	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-101.3	23	178	-71.1	18	0	0	0	110.7	D157 K159 L160 L178 D179	D157-N162 PolarHBondContact O-ND2 3.39Å; D157-N162 PolarHBondContact OD2-ND2 3.32Å; K159-N162 WeakPolarHBondContact CE-ND2 3.39Å; K159-N162 WeakPolarHBondContact CE-OD1 3.24Å; K159-N162 HydrophobicContact CG-CB 4.02Å; K159-N162 PolarHBondContact O-N 3.46Å; L160-N162 VanDerWaalsContact C-N 3.28Å; N162-L178 WeakPolarHBondContact CB-O 3.5Å; N162-L178 PolarHBondContact O-N 2.97Å; N162-D179 PolarHBondContact ND2-OD2 2.81Å
163	M	97.4	Very high	91.4	Very high	1 Å²	1	38 Å²	38	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	123.2	175.7	-63.1	172	175	0	0	107.6	S116 I117 M141 I158 L160 S161 V175 I176 L177	S116-M163 CarbonylContact C-O 3.44Å; S116-M163 WeakPolarHBondContact CA-O 3.41Å; S116-M163 WeakPolarHBondContact CB-O 3.32Å; I117-M163 HydrophobicContact CD1-CB 3.86Å; I117-M163 HydrophobicContact CG1-CB 4.28Å; I117-M163 PolarHBondContact N-O 3.06Å; M141-M163 HydrophobicContact CB-CE 4.32Å; M141-M163 HydrophobicContact CE-SD 3.57Å; M141-M163 VanDerWaalsContact CE-SD 3.57Å; M141-M163 HydrophobicContact CG-CE 3.84Å; M141-M163 HydrophobicContact CG-SD 3.69Å; M141-M163 HydrophobicContact SD-CE 3.97Å; M141-M163 HydrophobicContact SD-SD 3.56Å; I158-M163 HydrophobicContact CG2-CE 3.71Å; L160-M163 HydrophobicContact CD2-SD 4.31Å; L160-M163 VanDerWaalsContact O-O 3.09Å; S161-M163 VanDerWaalsContact C-N 3.31Å; M163-V175 HydrophobicContact CB-CG1 4.14Å; M163-V175 HydrophobicContact CG-CG1 4.45Å; M163-I176 CarbonylContact C-O 3.59Å; M163-I176 VanDerWaalsContact CA-O 3.29Å; M163-I176 WeakPolarHBondContact CA-O 3.49Å; M163-L177 HydrophobicContact CE-CD2 3.93Å; M163-L177 HydrophobicContact CG-CD2 4.02Å
164	A	96.3	Very high	91.3	Very high	3 Å²	3	38.5 Å²	38.5	3%	0.025	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	162.6	178.5	0	0	0	0	0	111.6	L113 I176 L178	L113-A164 HydrophobicContact CB-CB 3.99Å; L113-A164 HydrophobicContact CD1-CB 4.03Å; A164-I176 PolarHBondContact N-O 2.94Å; A164-I176 PolarHBondContact O-N 2.95Å; A164-L178 HydrophobicContact CB-CD1 3.52Å; A164-L178 HydrophobicContact CB-CG 4.42Å
165	L	95.9	Very high	91.2	Very high	10 Å²	10	38.5 Å²	38.5	5%	0.052	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	140.5	172.2	-62.2	175.4	0	0	0	109.5	G114 Q115 I117 K120 T174 W313	G114-L165 WeakPolarHBondContact CA-O 3.47Å; G114-L165 PolarHBondContact N-O 3.33Å; Q115-L165 PolarHBondContact O-N 3.33Å; I117-L165 HydrophobicContact CG1-CD2 4.36Å; K120-L165 HydrophobicContact CG-CD1 4.34Å; L165-T174 WeakPolarHBondContact CA-O 3.29Å; L165-W313 HydrophobicContact CD1-CD2 4.08Å; L165-W313 HydrophobicContact CD1-CG 4.03Å; L165-W313 HydrophobicContact CD1-CZ2 4.47Å; L165-W313 HydrophobicContact CD2-CZ2 3.85Å
166	A	93.8	Very high	91.2	Very high	7 Å²	7	38.7 Å²	38.7	6%	0.058	22%	0.222	C	C	.	.			trans	-63.1	154.3	167.4	0	0	0	0	0	110.8	N171 R172 T174 I176	A166-N171 HydrophobicContact CB-CB 4.35Å; A166-N171 WeakPolarHBondContact CB-O 3.47Å; A166-R172 WeakPolarHBondContact O-CA 3.45Å; A166-T174 PolarHBondContact N-O 3.47Å; A166-I176 HydrophobicContact CB-CD1 4.37Å; A166-I176 HydrophobicContact CB-CG1 4.16Å
167	Q	84.3	Confident	91.2	Very high	106 Å²	106	37.5 Å²	37.5	50%	0.495	22%	0.217	S	C	.	.			trans	-98.7	-12.3	-179.8	-64.4	-164	-4.6	0	0	114	L113	L113-Q167 VanDerWaalsContact C-CG 3.49Å; L113-Q167 PolarHBondContact O-NE2 3.17Å
168	T	78.1	Confident	91.1	Very high	63 Å²	63	39 Å²	39	39%	0.387	23%	0.225	S	C	.	.	S	Bend	trans	-72.1	137.8	-173.9	51.1	0	0	0	0	110.6	G170 N171 R172	T168-G170 PolarHBondContact O-N 3.16Å; T168-G170 VanDerWaalsContact O-N 3.08Å; T168-N171 CarbonylContact O-C 3.55Å; T168-N171 PolarHBondContact O-N 3.02Å; T168-N171 WeakPolarHBondContact OG1-CB 3.4Å; T168-R172 PolarHBondContact O-N 3.25Å
169	P	67	Low	90.9	Very high	120 Å²	120	40.2 Å²	40.2	78%	0.779	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	-38.4	-174.5	-30.8	35.4	0	0	0	114.8
170	G	73.9	Confident	90.8	Very high	72 Å²	72	38.9 Å²	38.9	74%	0.742	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-17.8	178.2	0	0	0	0	0	115.6	T168	T168-G170 PolarHBondContact O-N 3.16Å; T168-G170 VanDerWaalsContact O-N 3.08Å
171	N	80.2	Confident	90.5	Very high	91 Å²	91	39.2 Å²	39.2	49%	0.487	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.2	18.6	-175.8	-63.7	-23.2	0	0	0	112.8	A166 T168 N173 T174	A166-N171 HydrophobicContact CB-CB 4.35Å; A166-N171 WeakPolarHBondContact CB-O 3.47Å; T168-N171 CarbonylContact O-C 3.55Å; T168-N171 PolarHBondContact O-N 3.02Å; T168-N171 WeakPolarHBondContact OG1-CB 3.4Å; N171-N173 PolarHBondContact O-N 3.18Å; N171-T174 WeakPolarHBondContact O-CB 3.22Å; N171-T174 PolarHBondContact O-N 3.33Å; N171-T174 PolarHBondContact O-OG1 3.18Å
172	R	85	Confident	90.5	Very high	143 Å²	143	37.6 Å²	37.6	54%	0.54	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-17.6	-171.2	70.9	-177.1	-172.7	-161.5	-1.2	115.4	A166 T168 E314	A166-R172 WeakPolarHBondContact O-CA 3.45Å; T168-R172 PolarHBondContact O-N 3.25Å; R172-E314 IonicContact CZ-OE1 3.89Å; R172-E314 VanDerWaalsContact CZ-OE1 3.31Å; R172-E314 IonicContact NE-OE1 3.55Å; R172-E314 PolarHBondContact NE-OE1 2.96Å; R172-E314 IonicContact NH2-OE1 2.93Å; R172-E314 PolarHBondContact NH2-OE1 3.09Å
173	N	90.7	Very high	90.4	Very high	37 Å²	37	37.1 Å²	37.1	20%	0.198	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	3.2	178.9	-67.8	-32.8	0	0	0	113.7	Q140 N171 V175 Y311 W313 E314	Q140-N173 PolarHBondContact NE2-O 3.42Å; Q140-N173 PolarHBondContact OE1-O 3.2Å; N171-N173 PolarHBondContact O-N 3.18Å; N173-V175 PolarHBondContact O-N 3.41Å; N173-Y311 HydrophobicContact CB-CD2 3.8Å; N173-Y311 HydrophobicContact CB-CE2 3.52Å; N173-Y311 VanDerWaalsContact CG-CD2 3.44Å; N173-W313 PolarHBondContact OD1-NE1 3.39Å; N173-E314 PolarHBondContact ND2-OE1 2.91Å; N173-E314 PolarHBondContact ND2-OE2 3.35Å
174	T	96.2	Very high	90.4	Very high	20 Å²	20	38.7 Å²	38.7	12%	0.123	22%	0.221	C	C	.	.			trans	-72.7	124.8	175.5	-57	0	0	0	0	109.8	K91 L165 A166 N171 I176	K91-T174 HydrophobicContact CG-CG2 4.4Å; L165-T174 WeakPolarHBondContact CA-O 3.29Å; A166-T174 PolarHBondContact N-O 3.47Å; N171-T174 WeakPolarHBondContact O-CB 3.22Å; N171-T174 PolarHBondContact O-N 3.33Å; N171-T174 PolarHBondContact O-OG1 3.18Å; T174-I176 HydrophobicContact CG2-CD1 3.91Å
175	V	97.7	Very high	90.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	126.1	173.8	177.8	0	0	0	0	109.3	H92 I117 Q140 M141 M163 N173	H92-V175 PolarHBondContact ND1-O 2.84Å; I117-V175 HydrophobicContact CD1-CB 4.35Å; I117-V175 HydrophobicContact CD1-CG1 3.78Å; I117-V175 HydrophobicContact CD1-CG2 3.76Å; Q140-V175 HydrophobicContact CB-CB 4.03Å; Q140-V175 HydrophobicContact CB-CG2 3.94Å; Q140-V175 HydrophobicContact CG-CG2 4.49Å; M141-V175 HydrophobicContact CG-CG1 4.21Å; M163-V175 HydrophobicContact CB-CG1 4.14Å; M163-V175 HydrophobicContact CG-CG1 4.45Å; N173-V175 PolarHBondContact O-N 3.41Å
176	I	98	Very high	90.5	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.3	178.6	-52.8	-62.6	0	0	0	108.7	K91 H92 P94 L113 M163 A164 A166 T174	K91-I176 WeakPolarHBondContact O-CD1 3.37Å; H92-I176 CarbonylContact O-C 3.47Å; H92-I176 WeakPolarHBondContact O-CA 3.36Å; P94-I176 HydrophobicContact CB-CG2 4.25Å; P94-I176 HydrophobicContact CG-CG2 4.46Å; L113-I176 HydrophobicContact CD1-CB 3.91Å; L113-I176 HydrophobicContact CD1-CG1 4.39Å; L113-I176 HydrophobicContact CD1-CG2 3.62Å; L113-I176 HydrophobicContact CD2-CB 4.45Å; L113-I176 HydrophobicContact CD2-CG1 4.02Å; L113-I176 HydrophobicContact CD2-CG2 4.39Å; M163-I176 CarbonylContact C-O 3.59Å; M163-I176 VanDerWaalsContact CA-O 3.29Å; M163-I176 WeakPolarHBondContact CA-O 3.49Å; A164-I176 PolarHBondContact N-O 2.94Å; A164-I176 PolarHBondContact O-N 2.95Å; A166-I176 HydrophobicContact CB-CD1 4.37Å; A166-I176 HydrophobicContact CB-CG1 4.16Å; T174-I176 HydrophobicContact CG2-CD1 3.91Å
177	L	98.1	Very high	90.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	142	172.7	-66.4	-179.3	0	0	0	110.6	F87 H92 P94 A144 I145 L148 M163 F180	F87-L177 HydrophobicContact CE1-CB 4.28Å; F87-L177 HydrophobicContact CE1-CD1 4.27Å; F87-L177 HydrophobicContact CZ-CD1 4.25Å; H92-L177 PolarHBondContact O-N 2.9Å; P94-L177 WeakPolarHBondContact CD-O 3.5Å; A144-L177 HydrophobicContact CB-CD1 3.72Å; A144-L177 HydrophobicContact CB-CD2 4.35Å; A144-L177 HydrophobicContact CB-CG 3.78Å; I145-L177 HydrophobicContact CG1-CD1 4.5Å; L148-L177 HydrophobicContact CD2-CD1 4.41Å; M163-L177 HydrophobicContact CE-CD2 3.93Å; M163-L177 HydrophobicContact CG-CD2 4.02Å; L177-F180 HydrophobicContact CB-CE1 4.18Å; L177-F180 HydrophobicContact CB-CZ 3.95Å
178	L	95.3	Very high	91.2	Very high	37 Å²	37	40.5 Å²	40.5	19%	0.194	23%	0.227	C	C	.	.			trans	-134	163.1	-178	-67.2	175.4	0	0	0	111.5	P94 L113 H155 N162 A164	P94-L178 HydrophobicContact CB-CD2 4.47Å; P94-L178 HydrophobicContact CG-CD2 4.2Å; L113-L178 HydrophobicContact CD1-CD1 4.09Å; L113-L178 HydrophobicContact CD1-CD2 3.37Å; L113-L178 HydrophobicContact CD1-CG 4.03Å; H155-L178 PolarHBondContact NE2-O 3.31Å; H155-L178 VanDerWaalsContact NE2-O 3.1Å; N162-L178 WeakPolarHBondContact CB-O 3.5Å; N162-L178 PolarHBondContact O-N 2.97Å; A164-L178 HydrophobicContact CB-CD1 3.52Å; A164-L178 HydrophobicContact CB-CG 4.42Å
179	D	93.3	Very high	92	Very high	28 Å²	28	45.6 Å²	45.6	15%	0.15	25%	0.246	C	C	.	.			trans	61	72.6	169.6	-166.6	26.8	0	0	0	113.7	K66 E80 H155 N162 G181	K66-D179 IonicContact NZ-OD1 3.18Å; K66-D179 PolarHBondContact NZ-OD1 3.05Å; E80-D179 WeakPolarHBondContact OE1-CA 3.38Å; H155-D179 PolarHBondContact CE1-O 3.36Å; H155-D179 VanDerWaalsContact CE1-O 3.26Å; N162-D179 PolarHBondContact ND2-OD2 2.81Å; D179-G181 PolarHBondContact O-N 2.78Å
180	F	95.3	Very high	93.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-85	17.1	176.6	-50.1	-84.1	0	0	0	112.9	E80 V83 I84 F87 L148 L177 L182 A183	E80-F180 HydrophobicContact CB-CB 4.38Å; E80-F180 HydrophobicContact CG-CB 4.01Å; E80-F180 HydrophobicContact CG-CD2 4.17Å; E80-F180 PolarHBondContact OE1-N 3.27Å; V83-F180 HydrophobicContact CB-CB 3.95Å; V83-F180 HydrophobicContact CB-CG 4.2Å; V83-F180 HydrophobicContact CG1-CB 3.79Å; V83-F180 HydrophobicContact CG1-CD1 3.54Å; V83-F180 HydrophobicContact CG1-CD2 4.35Å; V83-F180 HydrophobicContact CG1-CE1 4.19Å; V83-F180 HydrophobicContact CG1-CG 3.63Å; V83-F180 HydrophobicContact CG2-CB 4.33Å; I84-F180 HydrophobicContact CD1-CD2 4.02Å; I84-F180 HydrophobicContact CD1-CE2 4.19Å; I84-F180 HydrophobicContact CG1-CD2 3.54Å; I84-F180 HydrophobicContact CG1-CE2 3.57Å; F87-F180 HydrophobicContact CD1-CE1 4.2Å; F87-F180 AromaticContact CD1-CZ 3.82Å; F87-F180 HydrophobicContact CD1-CZ 3.82Å; F87-F180 HydrophobicContact CE1-CE1 4.44Å; F87-F180 HydrophobicContact CE1-CZ 4.07Å; L148-F180 HydrophobicContact CD1-CD1 4.26Å; L148-F180 HydrophobicContact CD1-CE1 4Å; L148-F180 HydrophobicContact CD2-CD1 4.34Å; L148-F180 HydrophobicContact CD2-CE1 4.1Å; L177-F180 HydrophobicContact CB-CE1 4.18Å; L177-F180 HydrophobicContact CB-CZ 3.95Å; F180-L182 PolarHBondContact O-N 2.85Å; F180-L182 VanDerWaalsContact O-N 3.15Å; F180-A183 HydrophobicContact CB-CB 3.88Å; F180-A183 VanDerWaalsContact O-CB 3.24Å; F180-A183 WeakPolarHBondContact O-CB 3.23Å; F180-A183 PolarHBondContact O-N 2.95Å
181	G	92.4	Very high	94.3	Very high	11 Å²	11	44.7 Å²	44.7	11%	0.113	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-62.8	-21.5	-179.5	0	0	0	0	0	114	C76 D179	C76-G181 WeakPolarHBondContact CB-O 3.46Å; D179-G181 PolarHBondContact O-N 2.78Å
182	L	93.8	Very high	95.1	Very high	24 Å²	24	48.5 Å²	48.5	13%	0.126	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-101.6	0.6	171.3	-67.5	-174.9	0	0	0	113.5	F48 H155 R156 D157 F180	F48-L182 HydrophobicContact CE1-CD2 4.1Å; F48-L182 HydrophobicContact CE1-CG 4.45Å; F48-L182 HydrophobicContact CE2-CG 4.4Å; F48-L182 HydrophobicContact CZ-CD1 4.19Å; F48-L182 HydrophobicContact CZ-CD2 3.78Å; F48-L182 HydrophobicContact CZ-CG 3.72Å; H155-L182 CarbonylContact O-C 3.48Å; R156-L182 HydrophobicContact CB-CB 4.49Å; R156-L182 PolarHBondContact NE-O 2.89Å; R156-L182 PolarHBondContact NH2-O 3.23Å; D157-L182 HydrophobicContact CB-CB 4.37Å; D157-L182 HydrophobicContact CB-CD1 3.88Å; F180-L182 PolarHBondContact O-N 2.85Å; F180-L182 VanDerWaalsContact O-N 3.15Å
183	A	96.5	Very high	95.7	Very high	2 Å²	2	45.5 Å²	45.5	2%	0.017	23%	0.227	C	C	.	.			trans	-63	160	-179.5	0	0	0	0	0	111.7	V83 I154 H155 R156 F180	V83-A183 HydrophobicContact CG1-CB 4.37Å; V83-A183 HydrophobicContact CG2-CB 3.91Å; I154-A183 CarbonylContact O-C 3.55Å; I154-A183 WeakPolarHBondContact O-CA 3.29Å; I154-A183 WeakPolarHBondContact O-CB 3.37Å; H155-A183 PolarHBondContact O-N 3.44Å; R156-A183 PolarHBondContact NH2-O 3.45Å; F180-A183 HydrophobicContact CB-CB 3.88Å; F180-A183 VanDerWaalsContact O-CB 3.24Å; F180-A183 WeakPolarHBondContact O-CB 3.23Å; F180-A183 PolarHBondContact O-N 2.95Å
184	R	95.8	Very high	96	Very high	35 Å²	35	48.4 Å²	48.4	13%	0.132	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	134.7	177.6	179.8	175.2	-178.6	-103.6	-0.7	110.6	F153 I154 Y186 D218	F153-R184 CarbonylContact C-O 3.58Å; F153-R184 WeakPolarHBondContact CA-O 3.47Å; I154-R184 HydrophobicContact CG1-CB 4.19Å; I154-R184 WeakPolarHBondContact CG1-O 3.49Å; I154-R184 PolarHBondContact N-O 2.83Å; I154-R184 PolarHBondContact O-N 3.15Å; R184-Y186 PolarHBondContact O-N 2.84Å; R184-D218 IonicContact CZ-OD2 3.2Å; R184-D218 IonicContact NH1-OD2 2.95Å; R184-D218 PolarHBondContact NH1-OD2 3.08Å
185	K	97.1	Very high	95.9	Very high	70 Å²	70	52.7 Å²	52.7	30%	0.304	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	119.1	168.6	-153.1	-179.3	178.9	180	0	108.9	G152 F153 I187 R194	G152-K185 CarbonylContact O-C 3.49Å; G152-K185 VanDerWaalsContact O-CA 3.29Å; G152-K185 WeakPolarHBondContact O-CA 3.37Å; G152-K185 WeakPolarHBondContact O-CG 3.38Å; F153-K185 HydrophobicContact CD1-CB 3.9Å; F153-K185 HydrophobicContact CD1-CG 4.29Å; F153-K185 VanDerWaalsContact CD1-N 3.35Å; F153-K185 HydrophobicContact CE1-CB 3.59Å; F153-K185 HydrophobicContact CE1-CD 4.49Å; F153-K185 HydrophobicContact CE1-CG 3.91Å; F153-K185 HydrophobicContact CE2-CG 4.45Å; F153-K185 HydrophobicContact CZ-CB 4.17Å; F153-K185 HydrophobicContact CZ-CD 4.24Å; F153-K185 HydrophobicContact CZ-CG 3.99Å; K185-I187 WeakPolarHBondContact CG-O 3.19Å; K185-R194 WeakPolarHBondContact O-CD 3.41Å
186	Y	97.7	Very high	95.8	Very high	24 Å²	24	57.2 Å²	57.2	9%	0.094	28%	0.283	C	S	.	.			trans	-100.3	-11.7	-178.8	76.5	-87.2	0	0	0	112.8	H149 G152 I154 R184 L193 R194 R221	H149-Y186 WeakPolarHBondContact O-CE1 3.39Å; H149-Y186 PolarHBondContact O-OH 2.77Å; G152-Y186 WeakPolarHBondContact O-CD1 3.42Å; G152-Y186 PolarHBondContact O-N 3.43Å; I154-Y186 HydrophobicContact CG2-CD1 3.82Å; I154-Y186 HydrophobicContact CG2-CE1 4.43Å; I154-Y186 HydrophobicContact CG2-CG 4.25Å; R184-Y186 PolarHBondContact O-N 2.84Å; Y186-L193 HydrophobicContact CD2-CD2 3.48Å; Y186-L193 VanDerWaalsContact CD2-CD2 3.48Å; Y186-L193 HydrophobicContact CE2-CD2 3.56Å; Y186-R194 WeakPolarHBondContact O-CB 3.36Å; Y186-R194 PolarHBondContact O-N 2.93Å; Y186-R221 HydrophobicContact CE1-CG 4.28Å; Y186-R221 HydrophobicContact CE2-CG 4.36Å; Y186-R221 VanDerWaalsContact CE2-NH1 3.32Å; Y186-R221 PolarHBondContact OH-NH1 3.39Å
187	I	97.8	Very high	95.7	Very high	31 Å²	31	61.7 Å²	61.7	16%	0.159	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-108.4	158.3	170.3	61.1	-177.8	0	0	0	111.9	G152 K185 R192 L193 R194	G152-I187 VanDerWaalsContact CA-CD1 3.41Å; K185-I187 WeakPolarHBondContact CG-O 3.19Å; I187-R192 CarbonylContact C-O 3.37Å; I187-R192 WeakPolarHBondContact CA-O 3.39Å; I187-R192 WeakPolarHBondContact CB-O 3.46Å; I187-L193 HydrophobicContact CG2-CD2 4.28Å; I187-R194 PolarHBondContact O-NE 2.77Å
188	D	96	Very high	95.3	Very high	39 Å²	39	70.6 Å²	70.6	21%	0.209	34%	0.341	C	S	.	.			trans	-82.9	-162.2	170.3	61	17.9	0	0	0	112	E190 G191 R192	D188-E190 WeakPolarHBondContact OD1-CA 3.35Å; D188-E190 PolarHBondContact OD1-N 3.25Å; D188-E190 VanDerWaalsContact OD1-N 3.11Å; D188-G191 PolarHBondContact OD1-N 2.54Å; D188-R192 PolarHBondContact N-O 3.01Å; D188-R192 PolarHBondContact OD1-N 3.45Å; D188-R192 WeakPolarHBondContact OD2-CB 3.05Å
189	E	93.6	Very high	94.6	Very high	169 Å²	169	73.4 Å²	73.4	79%	0.79	37%	0.37	S	S	*	.	S	Bend	trans	-79.9	-25	-179.8	-66.3	179.3	-179.9	0	0	111.3	G191	E189-G191 VanDerWaalsContact C-N 3.28Å
190	E	95.8	Very high	94.3	Very high	126 Å²	126	72.8 Å²	72.8	59%	0.589	37%	0.366	S	S	*	.	S	Bend	trans	-85.2	1.1	175.4	-58.9	72	-158.5	0	0	112.9	D188 R192	D188-E190 WeakPolarHBondContact OD1-CA 3.35Å; D188-E190 PolarHBondContact OD1-N 3.25Å; D188-E190 VanDerWaalsContact OD1-N 3.11Å; E190-R192 VanDerWaalsContact C-N 3.32Å; E190-R192 HydrophobicContact CB-CG 4.19Å; E190-R192 PolarHBondContact O-N 3.19Å
191	G	94.3	Very high	94.1	Very high	47 Å²	47	74.7 Å²	74.7	49%	0.485	39%	0.386	S	S	.	.	S	Bend	trans	78.7	10.2	179.6	0	0	0	0	0	114.8	D188 E189	D188-G191 PolarHBondContact OD1-N 2.54Å; E189-G191 VanDerWaalsContact C-N 3.28Å
192	R	96.7	Very high	94.2	Very high	172 Å²	172	76 Å²	76	65%	0.649	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-85.1	147.6	179.8	-51.4	169.4	177.6	172.7	-0.3	110.4	I187 D188 E190 R194	I187-R192 CarbonylContact C-O 3.37Å; I187-R192 WeakPolarHBondContact CA-O 3.39Å; I187-R192 WeakPolarHBondContact CB-O 3.46Å; D188-R192 PolarHBondContact N-O 3.01Å; D188-R192 PolarHBondContact OD1-N 3.45Å; D188-R192 WeakPolarHBondContact OD2-CB 3.05Å; E190-R192 VanDerWaalsContact C-N 3.32Å; E190-R192 HydrophobicContact CB-CG 4.19Å; E190-R192 PolarHBondContact O-N 3.19Å; R192-R194 PolarHBondContact O-N 3.08Å
193	L	97.3	Very high	94.2	Very high	79 Å²	79	79.6 Å²	79.6	41%	0.414	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-62.9	128.2	177.4	-69.1	171.5	0	0	0	110.5	Y186 I187 E284	Y186-L193 HydrophobicContact CD2-CD2 3.48Å; Y186-L193 VanDerWaalsContact CD2-CD2 3.48Å; Y186-L193 HydrophobicContact CE2-CD2 3.56Å; I187-L193 HydrophobicContact CG2-CD2 4.28Å; L193-E284 HydrophobicContact CD1-CB 3.98Å; L193-E284 VanDerWaalsContact CD1-O 3.26Å; L193-E284 WeakPolarHBondContact CD1-O 3.48Å
194	R	97	Very high	94.1	Very high	99 Å²	99	80.3 Å²	80.3	37%	0.374	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-67.8	142.8	171.8	-69.6	177.3	174.9	-105.8	-1	109.8	K185 Y186 I187 R192	K185-R194 WeakPolarHBondContact O-CD 3.41Å; Y186-R194 WeakPolarHBondContact O-CB 3.36Å; Y186-R194 PolarHBondContact O-N 2.93Å; I187-R194 PolarHBondContact O-NE 2.77Å; R192-R194 PolarHBondContact O-N 3.08Å
195	P	95.1	Very high	94	Very high	110 Å²	110	80.6 Å²	80.6	71%	0.714	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-60.8	145.7	179.3	25.1	-34	0	0	0	111.5	R197	P195-R197 PolarHBondContact O-N 2.86Å
196	K	95.8	Very high	94	Very high	95 Å²	95	79.2 Å²	79.2	41%	0.413	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-59.2	129.1	173.5	-172.8	176.7	-178.1	178.3	0	109.2	Q217 D218 F283	K196-Q217 VanDerWaalsContact NZ-OE1 3.15Å; K196-D218 HydrophobicContact CG-CB 4.08Å; K196-F283 HydrophobicContact CB-CD1 3.85Å; K196-F283 HydrophobicContact CB-CE1 3.64Å; K196-F283 HydrophobicContact CB-CE2 4.33Å; K196-F283 HydrophobicContact CB-CG 4.3Å; K196-F283 HydrophobicContact CB-CZ 3.9Å; K196-F283 HydrophobicContact CD-CB 4.38Å; K196-F283 HydrophobicContact CD-CD1 4.39Å; K196-F283 HydrophobicContact CD-CD2 4.1Å; K196-F283 HydrophobicContact CD-CG 4.03Å; K196-F283 HydrophobicContact CG-CD1 4.22Å; K196-F283 HydrophobicContact CG-CD2 4.01Å; K196-F283 HydrophobicContact CG-CE1 4.16Å; K196-F283 HydrophobicContact CG-CE2 3.95Å; K196-F283 HydrophobicContact CG-CG 4.15Å; K196-F283 HydrophobicContact CG-CZ 4.03Å
197	R	94.9	Very high	93.9	Very high	97 Å²	97	82.6 Å²	82.6	37%	0.366	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-84	141.6	175.4	-62.5	175.7	-65.1	154.2	9.9	110.7	P195 I200 D218	P195-R197 PolarHBondContact O-N 2.86Å; R197-I200 HydrophobicContact CB-CG2 4.06Å; R197-D218 HydrophobicContact CB-CB 4.36Å; R197-D218 WeakPolarHBondContact CB-OD2 3.34Å; R197-D218 WeakPolarHBondContact CG-OD2 3.31Å; R197-D218 IonicContact CZ-OD1 2.9Å; R197-D218 IonicContact CZ-OD2 3.03Å; R197-D218 PolarHBondContact N-OD2 3.45Å; R197-D218 IonicContact NE-OD1 3.7Å; R197-D218 IonicContact NE-OD2 3.5Å; R197-D218 PolarHBondContact NE-OD2 3.39Å; R197-D218 IonicContact NH2-OD1 3.49Å; R197-D218 PolarHBondContact NH2-OD1 3.45Å; R197-D218 IonicContact NH2-OD2 3.36Å
198	E	90.7	Very high	93.9	Very high	187 Å²	187	81.9 Å²	81.9	87%	0.874	42%	0.419	S	S	*	.	S	Bend	trans	-74.8	142.9	171.6	-61.7	-174.4	170.3	0	0	110.7
199	A	79.3	Confident	94	Very high	96 Å²	96	80.2 Å²	80.2	79%	0.793	41%	0.411	S	S	*	.	S	Bend	trans	39.7	80.9	170.1	0	0	0	0	0	115.8
200	I	87.2	Confident	94.1	Very high	16 Å²	16	72.2 Å²	72.2	8%	0.082	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-96.8	145.6	174.9	68.7	153.2	0	0	0	111.7	R197 L216 Q217 D218 L219	R197-I200 HydrophobicContact CB-CG2 4.06Å; I200-L216 PolarHBondContact N-O 3.18Å; I200-L216 CarbonylContact O-C 3.56Å; I200-L216 VanDerWaalsContact O-CA 3.27Å; I200-L216 WeakPolarHBondContact O-CA 3.44Å; I200-L216 WeakPolarHBondContact O-CB 3.5Å; I200-Q217 VanDerWaalsContact CD1-O 3.27Å; I200-Q217 WeakPolarHBondContact CD1-O 3.4Å; I200-Q217 VanDerWaalsContact CG1-C 3.41Å; I200-Q217 WeakPolarHBondContact CG1-O 3.43Å; I200-D218 HydrophobicContact CD1-CB 4.49Å; I200-D218 HydrophobicContact CG2-CB 4.32Å; I200-L219 HydrophobicContact CD1-CG 4.43Å
201	G	91.9	Very high	94.1	Very high	39 Å²	39	68.1 Å²	68.1	40%	0.402	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-62.7	154.7	169.7	0	0	0	0	0	112	R203	G201-R203 PolarHBondContact O-N 2.95Å; G201-R203 PolarHBondContact O-NH1 3.44Å; G201-R203 VanDerWaalsContact O-NH1 3.09Å
202	F	94.5	Very high	94.2	Very high	38 Å²	38	67.1 Å²	67.1	17%	0.167	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-50	138.4	177.8	179	-95.3	0	0	0	112.5	G204 V206 A209 A213 H214 L216	F202-G204 WeakPolarHBondContact CE1-O 3.27Å; F202-V206 HydrophobicContact CE1-CG2 3.93Å; F202-V206 HydrophobicContact CZ-CB 4.39Å; F202-V206 HydrophobicContact CZ-CG2 3.87Å; F202-A209 HydrophobicContact CE2-CB 3.84Å; F202-A209 HydrophobicContact CZ-CB 3.75Å; F202-A213 HydrophobicContact CD2-CB 4.39Å; F202-A213 WeakPolarHBondContact CD2-O 3.39Å; F202-A213 HydrophobicContact CE2-CB 4.18Å; F202-H214 AromaticContact CE2-ND1 3.98Å; F202-L216 HydrophobicContact CB-CD2 3.94Å
203	R	92.8	Very high	94.2	Very high	100 Å²	100	59 Å²	59	38%	0.377	31%	0.31	S	S	.	.			trans	-134.5	149.8	175.6	-65.1	-62.7	-177.7	-84.7	0.3	110	G201 L219	G201-R203 PolarHBondContact O-N 2.95Å; G201-R203 PolarHBondContact O-NH1 3.44Å; G201-R203 VanDerWaalsContact O-NH1 3.09Å; R203-L219 HydrophobicContact CB-CD1 4.08Å
204	G	93.9	Very high	94.2	Very high	18 Å²	18	55.7 Å²	55.7	19%	0.186	29%	0.292	C	S	.	.	S	Bend	trans	91.1	-169.9	-180	0	0	0	0	0	113.9	R156 D157 F202	R156-G204 WeakPolarHBondContact O-CA 3.4Å; D157-G204 WeakPolarHBondContact OD1-CA 3.41Å; F202-G204 WeakPolarHBondContact CE1-O 3.27Å
205	T	95.3	Very high	94.1	Very high	40 Å²	40	54.5 Å²	54.5	25%	0.245	29%	0.291	C	S	.	.			trans	-97.5	118.6	-178.8	-64.4	0	0	0	0	110	D157 K159 R207 Y208 A209	D157-T205 WeakPolarHBondContact OD1-CB 3.21Å; D157-T205 PolarHBondContact OD1-N 3.07Å; D157-T205 PolarHBondContact OD1-OG1 3.34Å; K159-T205 HydrophobicContact CD-CG2 4.26Å; K159-T205 VanDerWaalsContact CD-OG1 3.22Å; K159-T205 WeakPolarHBondContact CD-OG1 3.48Å; K159-T205 PolarHBondContact NZ-OG1 2.92Å; T205-R207 HydrophobicContact CG2-CB 4.37Å; T205-R207 PolarHBondContact O-N 2.93Å; T205-Y208 HydrophobicContact CG2-CD2 3.88Å; T205-Y208 HydrophobicContact CG2-CE2 4.28Å; T205-Y208 CarbonylContact O-C 3.43Å; T205-Y208 PolarHBondContact O-N 2.8Å; T205-A209 WeakPolarHBondContact O-CB 3.2Å; T205-A209 PolarHBondContact O-N 3.43Å
206	V	96.3	Very high	94.2	Very high	41 Å²	41	52.9 Å²	52.9	25%	0.248	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-37.6	-46.8	-176	179.2	0	0	0	0	113.5	F202 Y208 H214 R248 V251 K255	F202-V206 HydrophobicContact CE1-CG2 3.93Å; F202-V206 HydrophobicContact CZ-CB 4.39Å; F202-V206 HydrophobicContact CZ-CG2 3.87Å; V206-Y208 PolarHBondContact O-N 2.88Å; V206-H214 PolarHBondContact O-NE2 3.18Å; V206-R248 HydrophobicContact CG1-CB 4.28Å; V206-R248 HydrophobicContact CG1-CG 4.27Å; V206-R248 HydrophobicContact CG2-CG 4.4Å; V206-V251 HydrophobicContact CG1-CB 3.87Å; V206-V251 HydrophobicContact CG1-CG1 3.99Å; V206-V251 HydrophobicContact CG1-CG2 3.78Å; V206-K255 PolarHBondContact O-NZ 3.37Å
207	R	96.2	Very high	94.2	Very high	96 Å²	96	51.8 Å²	51.8	36%	0.362	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-43.2	179.5	-175.6	-179.5	-67.6	161.6	-1.1	113.5	T205 E234 L240 W242 G243 K255	T205-R207 HydrophobicContact CG2-CB 4.37Å; T205-R207 PolarHBondContact O-N 2.93Å; R207-E234 IonicContact NH1-OE1 2.75Å; R207-L240 HydrophobicContact CG-CD1 3.72Å; R207-W242 PolarHBondContact O-NE1 3.23Å; R207-G243 PolarHBondContact NE-O 3.34Å; R207-G243 PolarHBondContact NH2-O 2.95Å; R207-K255 PolarHBondContact O-NZ 3.26Å
208	Y	97.5	Very high	94.3	Very high	16 Å²	16	47.2 Å²	47.2	6%	0.063	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-15.7	-174	-49.3	-72.3	0	0	0	113.5	K159 T205 V206 S227 Y230 V231 E234 L240	K159-Y208 HydrophobicContact CB-CD2 3.49Å; K159-Y208 VanDerWaalsContact CB-CD2 3.49Å; K159-Y208 HydrophobicContact CB-CE2 3.67Å; K159-Y208 HydrophobicContact CB-CG 4.28Å; T205-Y208 HydrophobicContact CG2-CD2 3.88Å; T205-Y208 HydrophobicContact CG2-CE2 4.28Å; T205-Y208 CarbonylContact O-C 3.43Å; T205-Y208 PolarHBondContact O-N 2.8Å; V206-Y208 PolarHBondContact O-N 2.88Å; Y208-S227 VanDerWaalsContact O-CA 3.3Å; Y208-S227 WeakPolarHBondContact O-CA 3.27Å; Y208-S227 WeakPolarHBondContact O-CB 3.45Å; Y208-S227 PolarHBondContact O-OG 2.92Å; Y208-Y230 VanDerWaalsContact O-CD2 3.23Å; Y208-Y230 WeakPolarHBondContact O-CD2 3.27Å; Y208-V231 HydrophobicContact CD1-CG2 3.71Å; Y208-V231 HydrophobicContact CE1-CG2 4.04Å; Y208-V231 HydrophobicContact CG-CG2 4.12Å; Y208-E234 WeakPolarHBondContact CE1-OE2 3.1Å; Y208-E234 PolarHBondContact OH-OE1 2.87Å; Y208-E234 PolarHBondContact OH-OE2 3.43Å; Y208-L240 HydrophobicContact CD1-CD1 4.12Å; Y208-L240 HydrophobicContact CE1-CD1 4Å
209	A	97.2	Very high	94.6	Very high	4 Å²	4	38.6 Å²	38.6	3%	0.033	22%	0.215	C	C	.	.			trans	-58.6	141.6	-178.4	0	0	0	0	0	112.3	F202 T205 A213 K255	F202-A209 HydrophobicContact CE2-CB 3.84Å; F202-A209 HydrophobicContact CZ-CB 3.75Å; T205-A209 WeakPolarHBondContact O-CB 3.2Å; T205-A209 PolarHBondContact O-N 3.43Å; A209-A213 HydrophobicContact CB-CB 3.85Å; A209-K255 PolarHBondContact O-NZ 2.82Å
210	S	97	Very high	95.5	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.007	18%	0.179	C	C	.	.			trans	-63.4	166.8	178	67.3	0	0	0	0	112.7	T212 A213 H214 D223	S210-T212 PolarHBondContact O-N 3.43Å; S210-T212 WeakPolarHBondContact OG-CB 3.42Å; S210-T212 PolarHBondContact OG-N 2.86Å; S210-A213 WeakPolarHBondContact O-CB 3.07Å; S210-A213 PolarHBondContact O-N 3.36Å; S210-A213 PolarHBondContact OG-N 3.5Å; S210-H214 PolarHBondContact O-CD2 3.34Å; S210-H214 VanDerWaalsContact O-CD2 3.23Å; S210-H214 PolarHBondContact O-N 3.47Å; S210-D223 WeakPolarHBondContact CB-OD1 3.36Å; S210-D223 PolarHBondContact OG-OD1 3.14Å
211	L	96.2	Very high	96	Very high	39 Å²	39	34.5 Å²	34.5	20%	0.204	18%	0.179	C	C	.	.	H	α-helix	trans	-61.4	-35	171.5	-78	174.2	0	0	0	111.6	A213 H214 Q215 R252 K255 E256	L211-A213 VanDerWaalsContact C-N 3.29Å; L211-A213 PolarHBondContact O-N 2.83Å; L211-H214 CarbonylContact O-C 3.52Å; L211-H214 WeakPolarHBondContact O-CB 3.07Å; L211-H214 PolarHBondContact O-N 3.26Å; L211-H214 VanDerWaalsContact O-N 3.09Å; L211-Q215 WeakPolarHBondContact O-CB 3.48Å; L211-Q215 VanDerWaalsContact O-CG 3.24Å; L211-Q215 WeakPolarHBondContact O-CG 3.18Å; L211-Q215 PolarHBondContact O-N 2.89Å; L211-R252 HydrophobicContact CD2-CG 4.33Å; L211-K255 HydrophobicContact CD2-CB 3.63Å; L211-K255 HydrophobicContact CG-CB 4.26Å; L211-E256 HydrophobicContact CD1-CG 4.35Å; L211-E256 HydrophobicContact CD2-CG 3.76Å
212	T	96.3	Very high	96.4	Very high	27 Å²	27	33.3 Å²	33.3	17%	0.166	16%	0.163	C	C	.	.	H	α-helix	trans	-52.4	-46	172.3	-40.5	0	0	0	0	111.6	S210 Q215 L216 Q217 L219 D223	S210-T212 PolarHBondContact O-N 3.43Å; S210-T212 WeakPolarHBondContact OG-CB 3.42Å; S210-T212 PolarHBondContact OG-N 2.86Å; T212-Q215 CarbonylContact O-C 3.6Å; T212-Q215 PolarHBondContact O-N 2.91Å; T212-L216 PolarHBondContact O-N 3.5Å; T212-Q217 HydrophobicContact CG2-CB 3.61Å; T212-Q217 PolarHBondContact O-N 3.33Å; T212-Q217 VanDerWaalsContact O-N 3.07Å; T212-L219 HydrophobicContact CG2-CD2 3.94Å; T212-D223 WeakPolarHBondContact CB-OD1 3.4Å; T212-D223 PolarHBondContact OG1-OD1 3.49Å
213	A	96.8	Very high	96.5	Very high	2 Å²	2	31.7 Å²	31.7	2%	0.017	16%	0.156	C	C	.	.	H	α-helix	trans	-65	-41.8	177.3	0	0	0	0	0	112.4	F202 A209 S210 L211 Q215 L216 L219	F202-A213 HydrophobicContact CD2-CB 4.39Å; F202-A213 WeakPolarHBondContact CD2-O 3.39Å; F202-A213 HydrophobicContact CE2-CB 4.18Å; A209-A213 HydrophobicContact CB-CB 3.85Å; S210-A213 WeakPolarHBondContact O-CB 3.07Å; S210-A213 PolarHBondContact O-N 3.36Å; S210-A213 PolarHBondContact OG-N 3.5Å; L211-A213 VanDerWaalsContact C-N 3.29Å; L211-A213 PolarHBondContact O-N 2.83Å; A213-Q215 PolarHBondContact O-N 3.46Å; A213-L216 PolarHBondContact O-N 3.44Å; A213-L219 HydrophobicContact CB-CD1 4.25Å; A213-L219 HydrophobicContact CB-CD2 3.81Å
214	H	96.1	Very high	96.8	Very high	9 Å²	9	27 Å²	27	4%	0.042	14%	0.138	C	C	.	.	H	α-helix	trans	-66.5	-27	175.4	-77	-70.2	0	0	0	113.3	F202 V206 S210 L211 L216 R248 R252	F202-H214 AromaticContact CE2-ND1 3.98Å; V206-H214 PolarHBondContact O-NE2 3.18Å; S210-H214 PolarHBondContact O-CD2 3.34Å; S210-H214 VanDerWaalsContact O-CD2 3.23Å; S210-H214 PolarHBondContact O-N 3.47Å; L211-H214 CarbonylContact O-C 3.52Å; L211-H214 WeakPolarHBondContact O-CB 3.07Å; L211-H214 PolarHBondContact O-N 3.26Å; L211-H214 VanDerWaalsContact O-N 3.09Å; H214-L216 VanDerWaalsContact C-N 3.3Å; H214-R248 WeakPolarHBondContact ND1-CG 3.37Å; H214-R252 HydrophobicContact CB-CB 3.95Å; H214-R252 HydrophobicContact CB-CG 3.83Å
215	Q	95.3	Very high	97.1	Very high	73 Å²	73	26.1 Å²	26.1	34%	0.341	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88	5.9	175.7	-69	170.6	-3.7	0	0	113.2	L211 T212 A213 Q217	L211-Q215 WeakPolarHBondContact O-CB 3.48Å; L211-Q215 VanDerWaalsContact O-CG 3.24Å; L211-Q215 WeakPolarHBondContact O-CG 3.18Å; L211-Q215 PolarHBondContact O-N 2.89Å; T212-Q215 CarbonylContact O-C 3.6Å; T212-Q215 PolarHBondContact O-N 2.91Å; A213-Q215 PolarHBondContact O-N 3.46Å; Q215-Q217 HydrophobicContact CB-CG 4.22Å; Q215-Q217 PolarHBondContact O-N 2.78Å
216	L	95.9	Very high	97.2	Very high	76 Å²	76	25.3 Å²	25.3	40%	0.398	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	29.8	176.4	-54.2	-176.5	0	0	0	113.4	I200 F202 T212 A213 H214	I200-L216 PolarHBondContact N-O 3.18Å; I200-L216 CarbonylContact O-C 3.56Å; I200-L216 VanDerWaalsContact O-CA 3.27Å; I200-L216 WeakPolarHBondContact O-CA 3.44Å; I200-L216 WeakPolarHBondContact O-CB 3.5Å; F202-L216 HydrophobicContact CB-CD2 3.94Å; T212-L216 PolarHBondContact O-N 3.5Å; A213-L216 PolarHBondContact O-N 3.44Å; H214-L216 VanDerWaalsContact C-N 3.3Å
217	Q	96.4	Very high	97.3	Very high	73 Å²	73	23.8 Å²	23.8	34%	0.341	11%	0.113	S	C	.	.	P	Polyproline II helix	trans	-97.3	155.6	177.1	-64.2	-172.7	30.1	0	0	111.4	K196 I200 T212 Q215 L219	K196-Q217 VanDerWaalsContact NZ-OE1 3.15Å; I200-Q217 VanDerWaalsContact CD1-O 3.27Å; I200-Q217 WeakPolarHBondContact CD1-O 3.4Å; I200-Q217 VanDerWaalsContact CG1-C 3.41Å; I200-Q217 WeakPolarHBondContact CG1-O 3.43Å; T212-Q217 HydrophobicContact CG2-CB 3.61Å; T212-Q217 PolarHBondContact O-N 3.33Å; T212-Q217 VanDerWaalsContact O-N 3.07Å; Q215-Q217 HydrophobicContact CB-CG 4.22Å; Q215-Q217 PolarHBondContact O-N 2.78Å; Q217-L219 PolarHBondContact O-N 3.21Å
218	D	96.8	Very high	97.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-62.4	139.1	178.8	-152.9	8.1	0	0	0	111.1	R184 K196 R197 I200 F283	R184-D218 IonicContact CZ-OD2 3.2Å; R184-D218 IonicContact NH1-OD2 2.95Å; R184-D218 PolarHBondContact NH1-OD2 3.08Å; K196-D218 HydrophobicContact CG-CB 4.08Å; R197-D218 HydrophobicContact CB-CB 4.36Å; R197-D218 WeakPolarHBondContact CB-OD2 3.34Å; R197-D218 WeakPolarHBondContact CG-OD2 3.31Å; R197-D218 IonicContact CZ-OD1 2.9Å; R197-D218 IonicContact CZ-OD2 3.03Å; R197-D218 PolarHBondContact N-OD2 3.45Å; R197-D218 IonicContact NE-OD1 3.7Å; R197-D218 IonicContact NE-OD2 3.5Å; R197-D218 PolarHBondContact NE-OD2 3.39Å; R197-D218 IonicContact NH2-OD1 3.49Å; R197-D218 PolarHBondContact NH2-OD1 3.45Å; R197-D218 IonicContact NH2-OD2 3.36Å; I200-D218 HydrophobicContact CD1-CB 4.49Å; I200-D218 HydrophobicContact CG2-CB 4.32Å; D218-F283 HydrophobicContact CB-CE2 3.88Å; D218-F283 HydrophobicContact CB-CZ 4.45Å
219	L	97.8	Very high	97.5	Very high	6 Å²	6	18.4 Å²	18.4	3%	0.031	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-90.5	147	-176.4	-55.6	-172.7	0	0	0	110.3	I154 R156 I200 R203 T212 A213 Q217 D223	I154-L219 HydrophobicContact CD1-CB 4.3Å; I154-L219 WeakPolarHBondContact CD1-O 3.23Å; R156-L219 HydrophobicContact CB-CD1 3.99Å; R156-L219 HydrophobicContact CG-CB 4.12Å; R156-L219 HydrophobicContact CG-CD1 4.03Å; I200-L219 HydrophobicContact CD1-CG 4.43Å; R203-L219 HydrophobicContact CB-CD1 4.08Å; T212-L219 HydrophobicContact CG2-CD2 3.94Å; A213-L219 HydrophobicContact CB-CD1 4.25Å; A213-L219 HydrophobicContact CB-CD2 3.81Å; Q217-L219 PolarHBondContact O-N 3.21Å; L219-D223 WeakPolarHBondContact CA-OD2 3.36Å; L219-D223 HydrophobicContact CB-CB 4.17Å; L219-D223 HydrophobicContact CD2-CB 4.13Å
220	S	98.1	Very high	97.5	Very high	8 Å²	8	18.4 Å²	18.4	6%	0.056	9%	0.092	C	C	.	.			trans	-125.5	-177.6	-178.8	66.3	0	0	0	0	110.4	L222 D223 F283	S220-L222 PolarHBondContact O-N 2.99Å; S220-L222 WeakPolarHBondContact OG-CB 3.41Å; S220-L222 PolarHBondContact OG-N 3.45Å; S220-D223 PolarHBondContact N-OD2 3.28Å; S220-D223 PolarHBondContact O-N 2.77Å; S220-D223 VanDerWaalsContact O-N 3.14Å; S220-D223 PolarHBondContact OG-OD2 3.4Å; S220-F283 VanDerWaalsContact CB-O 3.26Å; S220-F283 WeakPolarHBondContact CB-O 2.98Å
221	R	98.6	Very high	97.6	Very high	19 Å²	19	18.4 Å²	18.4	7%	0.072	9%	0.092	C	C	.	.	H	α-helix	trans	-57.6	-32.1	173.6	-66.9	178.3	-71.1	-152.7	-1.4	112.5	H149 I154 Y186 D223 D224 E284 D285 P287	H149-R221 HydrophobicContact CB-CG 4.4Å; H149-R221 VanDerWaalsContact CE1-CB 3.47Å; H149-R221 WeakPolarHBondContact CE1-CB 3.48Å; H149-R221 PolarHBondContact CE1-O 3.04Å; I154-R221 HydrophobicContact CG2-CB 4.32Å; I154-R221 HydrophobicContact CG2-CG 3.62Å; Y186-R221 HydrophobicContact CE1-CG 4.28Å; Y186-R221 HydrophobicContact CE2-CG 4.36Å; Y186-R221 VanDerWaalsContact CE2-NH1 3.32Å; Y186-R221 PolarHBondContact OH-NH1 3.39Å; R221-D223 VanDerWaalsContact C-N 3.27Å; R221-D223 PolarHBondContact O-N 2.76Å; R221-D224 PolarHBondContact O-N 3.39Å; R221-E284 PolarHBondContact NH2-O 3.33Å; R221-D285 PolarHBondContact NE-O 2.57Å; R221-D285 PolarHBondContact NH2-O 3.32Å; R221-P287 HydrophobicContact CB-CG 3.94Å
222	L	98.5	Very high	97.7	Very high	14 Å²	14	16.5 Å²	16.5	7%	0.073	8%	0.082	C	C	.	.	H	α-helix	trans	-59.4	-37.9	177.3	170.2	59.1	0	0	0	112.1	S220 D224 F225 W226 L278 L281	S220-L222 PolarHBondContact O-N 2.99Å; S220-L222 WeakPolarHBondContact OG-CB 3.41Å; S220-L222 PolarHBondContact OG-N 3.45Å; L222-D224 VanDerWaalsContact C-N 3.31Å; L222-D224 PolarHBondContact O-N 2.99Å; L222-F225 PolarHBondContact O-N 3.5Å; L222-F225 VanDerWaalsContact O-N 3.08Å; L222-W226 PolarHBondContact O-N 3.07Å; L222-L278 HydrophobicContact CD1-CB 3.87Å; L222-L278 HydrophobicContact CD1-CD2 3.92Å; L222-L278 HydrophobicContact CD1-CG 4.32Å; L222-L278 WeakPolarHBondContact CD1-O 3.33Å; L222-L281 HydrophobicContact CD1-CB 4.03Å; L222-L281 HydrophobicContact CD1-CD1 4.02Å; L222-L281 HydrophobicContact CD2-CB 4.03Å; L222-L281 WeakPolarHBondContact CD2-O 3.44Å; L222-L281 HydrophobicContact CG-CB 4.44Å
223	D	98.6	Very high	97.8	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.016	8%	0.075	C	C	.	.	H	α-helix	trans	-70.9	-28.2	-173.2	-62.3	-72.4	0	0	0	112.9	S210 T212 L219 S220 R221 F225 S227	S210-D223 WeakPolarHBondContact CB-OD1 3.36Å; S210-D223 PolarHBondContact OG-OD1 3.14Å; T212-D223 WeakPolarHBondContact CB-OD1 3.4Å; T212-D223 PolarHBondContact OG1-OD1 3.49Å; L219-D223 WeakPolarHBondContact CA-OD2 3.36Å; L219-D223 HydrophobicContact CB-CB 4.17Å; L219-D223 HydrophobicContact CD2-CB 4.13Å; S220-D223 PolarHBondContact N-OD2 3.28Å; S220-D223 PolarHBondContact O-N 2.77Å; S220-D223 VanDerWaalsContact O-N 3.14Å; S220-D223 PolarHBondContact OG-OD2 3.4Å; R221-D223 VanDerWaalsContact C-N 3.27Å; R221-D223 PolarHBondContact O-N 2.76Å; D223-F225 VanDerWaalsContact C-N 3.31Å; D223-S227 WeakPolarHBondContact O-CB 3.41Å; D223-S227 PolarHBondContact O-N 3.22Å; D223-S227 PolarHBondContact O-OG 3.08Å
224	D	98.8	Very high	97.8	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.005	8%	0.075	C	C	.	.	H	α-helix	trans	-66.2	-35.6	171.1	-76.4	-18.9	0	0	0	111	I145 H149 H155 R156 I158 R221 L222 S227 L228	I145-D224 HydrophobicContact CG2-CB 4.21Å; H149-D224 IonicContact NE2-OD2 2.72Å; H149-D224 PolarHBondContact NE2-OD2 3.48Å; H149-D224 VanDerWaalsContact NE2-OD2 3.1Å; H155-D224 PolarHBondContact N-OD2 2.81Å; R156-D224 WeakPolarHBondContact CA-OD1 3.5Å; R156-D224 PolarHBondContact N-OD1 3.09Å; I158-D224 HydrophobicContact CG1-CB 3.85Å; R221-D224 PolarHBondContact O-N 3.39Å; L222-D224 VanDerWaalsContact C-N 3.31Å; L222-D224 PolarHBondContact O-N 2.99Å; D224-S227 WeakPolarHBondContact O-CB 3.15Å; D224-S227 PolarHBondContact O-N 3.23Å; D224-L228 PolarHBondContact O-N 3.21Å
225	F	98.8	Very high	97.9	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-78.4	-32.6	176.1	-77.8	-76.2	0	0	0	114.3	I142 I145 H149 L222 D223 S227 L228 F229 F274 L278 P287 Y289 L292	I142-F225 HydrophobicContact CB-CE1 4.46Å; I142-F225 HydrophobicContact CG1-CE1 4.16Å; I142-F225 HydrophobicContact CG2-CE1 4.2Å; I142-F225 HydrophobicContact CG2-CZ 4.47Å; I145-F225 HydrophobicContact CB-CZ 4.24Å; I145-F225 HydrophobicContact CG2-CD2 4.43Å; I145-F225 HydrophobicContact CG2-CE2 3.69Å; I145-F225 HydrophobicContact CG2-CZ 3.72Å; H149-F225 AromaticContact CE1-CE2 3.98Å; L222-F225 PolarHBondContact O-N 3.5Å; L222-F225 VanDerWaalsContact O-N 3.08Å; D223-F225 VanDerWaalsContact C-N 3.31Å; F225-S227 VanDerWaalsContact C-N 3.25Å; F225-S227 PolarHBondContact O-N 3.26Å; F225-L228 HydrophobicContact CD1-CD2 3.92Å; F225-L228 HydrophobicContact CE1-CD2 3.98Å; F225-L228 PolarHBondContact O-N 3.48Å; F225-F229 PolarHBondContact O-N 3.48Å; F225-F274 HydrophobicContact CD1-CZ 4.1Å; F225-L278 HydrophobicContact CB-CD1 4Å; F225-L278 HydrophobicContact CB-CD2 3.69Å; F225-L278 HydrophobicContact CG-CD2 4.43Å; F225-P287 HydrophobicContact CD2-CB 4.12Å; F225-P287 HydrophobicContact CD2-CG 3.95Å; F225-P287 HydrophobicContact CE2-CB 4.07Å; F225-P287 HydrophobicContact CE2-CG 4.06Å; F225-Y289 AromaticContact CE2-CD1 3.87Å; F225-Y289 HydrophobicContact CE2-CD1 3.87Å; F225-Y289 AromaticContact CE2-CE1 3.46Å; F225-Y289 HydrophobicContact CE2-CE1 3.46Å; F225-Y289 VanDerWaalsContact CE2-CE1 3.46Å; F225-Y289 AromaticContact CZ-CD1 3.57Å; F225-Y289 HydrophobicContact CZ-CD1 3.57Å; F225-Y289 AromaticContact CZ-CE1 3.62Å; F225-Y289 HydrophobicContact CZ-CE1 3.62Å; F225-L292 HydrophobicContact CD1-CD1 3.57Å; F225-L292 HydrophobicContact CD2-CD1 4.33Å; F225-L292 HydrophobicContact CE1-CD1 3.56Å; F225-L292 HydrophobicContact CE2-CD1 4.31Å; F225-L292 HydrophobicContact CG-CD1 3.98Å; F225-L292 HydrophobicContact CZ-CD1 3.96Å
226	W	98.4	Very high	98	Very high	24 Å²	24	12.2 Å²	12.2	9%	0.091	6%	0.06	C	C	.	.	H	α-helix	trans	-60.1	-41.7	166.9	-82.4	121.8	0	0	0	111.1	L222 F229 Y230 P260 V275 L278 R279	L222-W226 PolarHBondContact O-N 3.07Å; W226-F229 HydrophobicContact CE3-CD1 4.37Å; W226-F229 HydrophobicContact CZ3-CD1 4.4Å; W226-F229 PolarHBondContact O-N 2.8Å; W226-Y230 WeakPolarHBondContact O-CD2 3.46Å; W226-Y230 WeakPolarHBondContact O-CE2 3.37Å; W226-Y230 PolarHBondContact O-N 2.83Å; W226-P260 HydrophobicContact CE3-CG 4.27Å; W226-P260 HydrophobicContact CH2-CB 4.22Å; W226-P260 HydrophobicContact CH2-CG 3.79Å; W226-P260 HydrophobicContact CZ3-CB 3.77Å; W226-P260 HydrophobicContact CZ3-CG 3.36Å; W226-V275 HydrophobicContact CH2-CG1 4.33Å; W226-L278 HydrophobicContact CD2-CB 4.41Å; W226-L278 HydrophobicContact CD2-CD1 3.83Å; W226-L278 HydrophobicContact CE3-CD1 3.85Å; W226-L278 HydrophobicContact CG-CD1 4.28Å; W226-L278 HydrophobicContact CH2-CB 3.92Å; W226-L278 HydrophobicContact CH2-CD1 4.43Å; W226-L278 HydrophobicContact CZ2-CB 3.6Å; W226-L278 HydrophobicContact CZ2-CD1 4.44Å; W226-L278 HydrophobicContact CZ3-CB 4.44Å; W226-L278 HydrophobicContact CZ3-CD1 4.13Å; W226-R279 HydrophobicContact CH2-CG 4.25Å; W226-R279 HydrophobicContact CZ2-CG 4.37Å
227	S	98.7	Very high	98.1	Very high	8 Å²	8	10.9 Å²	10.9	6%	0.056	6%	0.055	C	C	.	.	H	α-helix	trans	-64.2	-42.8	175.6	-56.3	0	0	0	0	111.6	Y208 D223 D224 F225 F229 Y230 V231	Y208-S227 VanDerWaalsContact O-CA 3.3Å; Y208-S227 WeakPolarHBondContact O-CA 3.27Å; Y208-S227 WeakPolarHBondContact O-CB 3.45Å; Y208-S227 PolarHBondContact O-OG 2.92Å; D223-S227 WeakPolarHBondContact O-CB 3.41Å; D223-S227 PolarHBondContact O-N 3.22Å; D223-S227 PolarHBondContact O-OG 3.08Å; D224-S227 WeakPolarHBondContact O-CB 3.15Å; D224-S227 PolarHBondContact O-N 3.23Å; F225-S227 VanDerWaalsContact C-N 3.25Å; F225-S227 PolarHBondContact O-N 3.26Å; S227-F229 PolarHBondContact O-N 2.86Å; S227-Y230 PolarHBondContact O-N 2.86Å; S227-V231 WeakPolarHBondContact O-CG2 3.35Å; S227-V231 PolarHBondContact O-N 2.82Å
228	L	98.8	Very high	98.1	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-61.1	-40.8	174.7	-176.7	62.4	0	0	0	112.5	T138 M141 I142 I145 I158 D224 F225 Y230 V231 C232 F274	T138-L228 HydrophobicContact CG2-CD2 4.42Å; M141-L228 HydrophobicContact CB-CD1 3.65Å; M141-L228 HydrophobicContact CB-CD2 4.37Å; M141-L228 HydrophobicContact CG-CD1 4.22Å; M141-L228 HydrophobicContact SD-CD1 3.6Å; M141-L228 VanDerWaalsContact SD-CD1 3.6Å; I142-L228 HydrophobicContact CG1-CD2 3.71Å; I145-L228 HydrophobicContact CD1-CB 4.34Å; I145-L228 HydrophobicContact CD1-CD2 4.07Å; I158-L228 HydrophobicContact CG2-CB 4.27Å; D224-L228 PolarHBondContact O-N 3.21Å; F225-L228 HydrophobicContact CD1-CD2 3.92Å; F225-L228 HydrophobicContact CE1-CD2 3.98Å; F225-L228 PolarHBondContact O-N 3.48Å; L228-Y230 PolarHBondContact O-N 3.09Å; L228-V231 WeakPolarHBondContact O-CB 3.46Å; L228-V231 PolarHBondContact O-N 2.9Å; L228-C232 WeakPolarHBondContact O-CB 3.43Å; L228-C232 PolarHBondContact O-N 3.43Å; L228-F274 HydrophobicContact CD2-CZ 4.44Å
229	F	98.5	Very high	98	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58	-46.5	176.2	170.5	-103.2	0	0	0	111.7	F225 W226 S227 C232 S233 P260 M263 L267 F271 F274 V275	F225-F229 PolarHBondContact O-N 3.48Å; W226-F229 HydrophobicContact CE3-CD1 4.37Å; W226-F229 HydrophobicContact CZ3-CD1 4.4Å; W226-F229 PolarHBondContact O-N 2.8Å; S227-F229 PolarHBondContact O-N 2.86Å; F229-C232 PolarHBondContact O-N 3.37Å; F229-S233 WeakPolarHBondContact O-CB 3.15Å; F229-S233 PolarHBondContact O-N 3.2Å; F229-S233 PolarHBondContact O-OG 3.45Å; F229-P260 HydrophobicContact CD1-CB 4.49Å; F229-P260 HydrophobicContact CE1-CB 3.73Å; F229-P260 HydrophobicContact CE1-CG 4.29Å; F229-P260 HydrophobicContact CZ-CB 3.98Å; F229-M263 HydrophobicContact CE1-CB 4.38Å; F229-M263 HydrophobicContact CE1-CE 4.19Å; F229-M263 HydrophobicContact CE1-SD 3.97Å; F229-M263 HydrophobicContact CZ-CB 4.02Å; F229-L267 HydrophobicContact CE2-CD1 3.74Å; F229-L267 HydrophobicContact CZ-CD1 4.13Å; F229-F271 HydrophobicContact CD2-CD1 4.04Å; F229-F271 HydrophobicContact CE2-CD1 4.09Å; F229-F274 HydrophobicContact CB-CE1 4.14Å; F229-F274 HydrophobicContact CD2-CD1 4.45Å; F229-V275 HydrophobicContact CD2-CG2 3.82Å; F229-V275 HydrophobicContact CE1-CG2 4.39Å; F229-V275 HydrophobicContact CE2-CG2 3.39Å; F229-V275 HydrophobicContact CG-CG2 4.47Å; F229-V275 HydrophobicContact CZ-CG2 3.72Å
230	Y	98.2	Very high	97.9	Very high	4 Å²	4	12.1 Å²	12.1	2%	0.016	6%	0.064	C	C	.	.	H	α-helix	trans	-66.8	-37.5	176.2	-59.2	-50	0	0	0	112.4	Y208 W226 S227 L228 S233 E234 W242 M263	Y208-Y230 VanDerWaalsContact O-CD2 3.23Å; Y208-Y230 WeakPolarHBondContact O-CD2 3.27Å; W226-Y230 WeakPolarHBondContact O-CD2 3.46Å; W226-Y230 WeakPolarHBondContact O-CE2 3.37Å; W226-Y230 PolarHBondContact O-N 2.83Å; S227-Y230 PolarHBondContact O-N 2.86Å; L228-Y230 PolarHBondContact O-N 3.09Å; Y230-S233 PolarHBondContact O-N 2.83Å; Y230-E234 WeakPolarHBondContact O-CB 3.38Å; Y230-E234 PolarHBondContact O-N 2.81Å; Y230-W242 AromaticContact CD1-CH2 3.84Å; Y230-W242 HydrophobicContact CD1-CH2 3.84Å; Y230-W242 AromaticContact CD1-CZ2 3.55Å; Y230-W242 HydrophobicContact CD1-CZ2 3.55Å; Y230-W242 AromaticContact CE1-CH2 3.54Å; Y230-W242 HydrophobicContact CE1-CH2 3.54Å; Y230-W242 AromaticContact CE1-CZ2 3.6Å; Y230-W242 HydrophobicContact CE1-CZ2 3.6Å; Y230-W242 HydrophobicContact CG-CZ2 4.13Å; Y230-M263 HydrophobicContact CD1-CE 4.2Å; Y230-M263 HydrophobicContact CD1-SD 4.27Å; Y230-M263 HydrophobicContact CE1-SD 4.19Å
231	V	98.5	Very high	97.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-60.1	-48.9	174.2	163.5	0	0	0	0	110.8	M141 I158 L160 Y208 S227 L228 E234 M235	M141-V231 HydrophobicContact SD-CG1 4.37Å; I158-V231 HydrophobicContact CG2-CG2 4.49Å; L160-V231 HydrophobicContact CD2-CG1 3.36Å; L160-V231 HydrophobicContact CG-CG1 3.77Å; Y208-V231 HydrophobicContact CD1-CG2 3.71Å; Y208-V231 HydrophobicContact CE1-CG2 4.04Å; Y208-V231 HydrophobicContact CG-CG2 4.12Å; S227-V231 WeakPolarHBondContact O-CG2 3.35Å; S227-V231 PolarHBondContact O-N 2.82Å; L228-V231 WeakPolarHBondContact O-CB 3.46Å; L228-V231 PolarHBondContact O-N 2.9Å; V231-E234 PolarHBondContact O-N 2.89Å; V231-M235 HydrophobicContact CG1-CE 4.29Å; V231-M235 WeakPolarHBondContact O-CG 3.47Å; V231-M235 PolarHBondContact O-N 2.79Å
232	C	98.2	Very high	97.6	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.5	-43.5	179.1	-174.9	0	0	0	0	111.9	T138 L228 F229 E234 M235 I236 F271	T138-C232 PolarHBondContact OG1-SG 2.92Å; L228-C232 WeakPolarHBondContact O-CB 3.43Å; L228-C232 PolarHBondContact O-N 3.43Å; F229-C232 PolarHBondContact O-N 3.37Å; C232-E234 VanDerWaalsContact C-N 3.26Å; C232-E234 PolarHBondContact O-N 2.71Å; C232-M235 HydrophobicContact CB-CE 4.34Å; C232-M235 WeakPolarHBondContact O-CB 3.24Å; C232-M235 PolarHBondContact O-N 2.85Å; C232-I236 WeakPolarHBondContact O-CG1 3.1Å; C232-I236 PolarHBondContact O-N 2.86Å; C232-F271 HydrophobicContact CB-CE1 4.12Å; C232-F271 HydrophobicContact CB-CZ 4.32Å; C232-F271 WeakPolarHBondContact SG-CZ 2.95Å
233	S	97.9	Very high	97.3	Very high	3 Å²	3	13.8 Å²	13.8	2%	0.021	8%	0.08	C	C	.	.	H	α-helix	trans	-56.1	-43.7	175.1	-58.2	0	0	0	0	111.5	F229 Y230 I236 V237	F229-S233 WeakPolarHBondContact O-CB 3.15Å; F229-S233 PolarHBondContact O-N 3.2Å; F229-S233 PolarHBondContact O-OG 3.45Å; Y230-S233 PolarHBondContact O-N 2.83Å; S233-I236 PolarHBondContact O-N 3.1Å; S233-V237 WeakPolarHBondContact O-CB 3.26Å; S233-V237 WeakPolarHBondContact O-CG2 3.39Å; S233-V237 PolarHBondContact O-N 3.48Å
234	E	97.1	Very high	97	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.019	12%	0.119	C	C	.	.	H	α-helix	trans	-70.3	-32.6	177.1	-161.8	-172.5	-137.1	0	0	112.9	R121 R207 Y208 Y230 V231 C232 I236 G238 L240	R121-E234 IonicContact CZ-OE2 3.5Å; R121-E234 IonicContact NE-OE2 2.77Å; R121-E234 IonicContact NH2-OE1 2.78Å; R121-E234 PolarHBondContact NH2-OE1 3.22Å; R121-E234 IonicContact NH2-OE2 3.33Å; R121-E234 PolarHBondContact NH2-OE2 2.82Å; R207-E234 IonicContact NH1-OE1 2.75Å; Y208-E234 WeakPolarHBondContact CE1-OE2 3.1Å; Y208-E234 PolarHBondContact OH-OE1 2.87Å; Y208-E234 PolarHBondContact OH-OE2 3.43Å; Y230-E234 WeakPolarHBondContact O-CB 3.38Å; Y230-E234 PolarHBondContact O-N 2.81Å; V231-E234 PolarHBondContact O-N 2.89Å; C232-E234 VanDerWaalsContact C-N 3.26Å; C232-E234 PolarHBondContact O-N 2.71Å; E234-I236 VanDerWaalsContact C-N 3.34Å; E234-G238 CarbonylContact O-C 3.51Å; E234-G238 WeakPolarHBondContact O-CA 3.47Å; E234-G238 PolarHBondContact O-N 3.25Å; E234-L240 HydrophobicContact CB-CD1 4.38Å; E234-L240 HydrophobicContact CB-CD2 4.41Å; E234-L240 HydrophobicContact CB-CG 4.02Å; E234-L240 HydrophobicContact CG-CG 4.28Å
235	M	98.3	Very high	96.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.6	-40.6	173.2	-72.5	-166.3	-64.8	0	0	111.7	R128 F129 T138 M141 L160 V231 C232	R128-M235 WeakPolarHBondContact CA-O 3.42Å; R128-M235 WeakPolarHBondContact CB-O 3.37Å; F129-M235 HydrophobicContact CD2-CB 4.16Å; F129-M235 HydrophobicContact CD2-CG 3.96Å; F129-M235 HydrophobicContact CD2-SD 3.95Å; F129-M235 HydrophobicContact CE2-CG 4.4Å; F129-M235 HydrophobicContact CE2-SD 4.23Å; F129-M235 PolarHBondContact N-O 3.34Å; T138-M235 WeakPolarHBondContact OG1-CE 3.33Å; M141-M235 HydrophobicContact CE-CE 3.98Å; M141-M235 HydrophobicContact CE-SD 4.09Å; M141-M235 HydrophobicContact SD-CE 4.17Å; L160-M235 HydrophobicContact CD1-CG 3.76Å; L160-M235 HydrophobicContact CD1-SD 4.35Å; L160-M235 HydrophobicContact CD2-CG 4.14Å; L160-M235 HydrophobicContact CD2-SD 3.75Å; L160-M235 HydrophobicContact CG-CG 4.48Å; V231-M235 HydrophobicContact CG1-CE 4.29Å; V231-M235 WeakPolarHBondContact O-CG 3.47Å; V231-M235 PolarHBondContact O-N 2.79Å; C232-M235 HydrophobicContact CB-CE 4.34Å; C232-M235 WeakPolarHBondContact O-CB 3.24Å; C232-M235 PolarHBondContact O-N 2.85Å
236	I	98.2	Very high	96.5	Very high	13 Å²	13	36.4 Å²	36.4	7%	0.067	18%	0.175	C	C	.	.	H	α-helix	trans	-80.8	-48.3	-175.7	-67	171.7	0	0	0	111.9	R128 L131 C232 S233 E234 L267 F271	R128-I236 WeakPolarHBondContact CD-O 3.2Å; L131-I236 HydrophobicContact CD2-CB 4.49Å; L131-I236 HydrophobicContact CD2-CD1 4.12Å; L131-I236 HydrophobicContact CD2-CG1 4.07Å; L131-I236 HydrophobicContact CD2-CG2 3.67Å; C232-I236 WeakPolarHBondContact O-CG1 3.1Å; C232-I236 PolarHBondContact O-N 2.86Å; S233-I236 PolarHBondContact O-N 3.1Å; E234-I236 VanDerWaalsContact C-N 3.34Å; I236-L267 HydrophobicContact CB-CD2 4.03Å; I236-L267 HydrophobicContact CD1-CD2 4.04Å; I236-L267 HydrophobicContact CG2-CD2 4Å; I236-F271 HydrophobicContact CD1-CE2 4.24Å; I236-F271 HydrophobicContact CD1-CZ 4.38Å
237	V	96.8	Very high	96.4	Very high	49 Å²	49	39.7 Å²	39.7	30%	0.297	20%	0.195	S	C	.	.	H	α-helix	trans	-90	-21.2	-173.4	-177.3	0	0	0	0	111.8	S233 N239 Q266 L267	S233-V237 WeakPolarHBondContact O-CB 3.26Å; S233-V237 WeakPolarHBondContact O-CG2 3.39Å; S233-V237 PolarHBondContact O-N 3.48Å; V237-N239 VanDerWaalsContact C-N 3.27Å; V237-N239 PolarHBondContact O-N 2.92Å; V237-Q266 HydrophobicContact CG2-CB 3.88Å; V237-L267 HydrophobicContact CG2-CD2 3.98Å
238	G	96.5	Very high	96.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.213	C	C	.	.	S	Bend	trans	89.5	-25.7	-178.1	0	0	0	0	0	114.6	R121 E234	R121-G238 PolarHBondContact NH1-O 3.4Å; R121-G238 VanDerWaalsContact NH1-O 3.09Å; E234-G238 CarbonylContact O-C 3.51Å; E234-G238 WeakPolarHBondContact O-CA 3.47Å; E234-G238 PolarHBondContact O-N 3.25Å
239	N	94.2	Very high	96.2	Very high	95 Å²	95	48 Å²	48	51%	0.508	24%	0.239	S	C	.	.			trans	-141.4	157.1	178.6	-66.2	-64	0	0	0	111.9	V237	V237-N239 VanDerWaalsContact C-N 3.27Å; V237-N239 PolarHBondContact O-N 2.92Å
240	L	95.5	Very high	96.1	Very high	9 Å²	9	50.7 Å²	50.7	5%	0.047	25%	0.251	C	S	.	.			trans	-100.9	153.2	165.7	-67.4	168.1	0	0	0	109.5	R207 Y208 E234 W242 G243 M263	R207-L240 HydrophobicContact CG-CD1 3.72Å; Y208-L240 HydrophobicContact CD1-CD1 4.12Å; Y208-L240 HydrophobicContact CE1-CD1 4Å; E234-L240 HydrophobicContact CB-CD1 4.38Å; E234-L240 HydrophobicContact CB-CD2 4.41Å; E234-L240 HydrophobicContact CB-CG 4.02Å; E234-L240 HydrophobicContact CG-CG 4.28Å; L240-W242 HydrophobicContact CB-CD2 4.48Å; L240-W242 HydrophobicContact CB-CZ2 4.43Å; L240-W242 HydrophobicContact CD1-CZ2 4.37Å; L240-W242 HydrophobicContact CD2-CZ2 4.28Å; L240-W242 PolarHBondContact O-N 3.4Å; L240-W242 VanDerWaalsContact O-N 3.09Å; L240-G243 PolarHBondContact O-N 2.9Å; L240-M263 HydrophobicContact CD2-CE 3.55Å
241	P	95.4	Very high	96	Very high	67 Å²	67	50.5 Å²	50.5	44%	0.435	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-34.9	177.9	-27.3	34.8	0	0	0	113.5	N258	P241-N258 HydrophobicContact CG-CB 4.29Å
242	W	96	Very high	95.9	Very high	1 Å²	1	54.9 Å²	54.9	0%	0.004	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	13.2	177.4	54.9	80.8	0	0	0	114	R207 Y230 L240 K244 V245 V251 L254 K255 N258 M263	R207-W242 PolarHBondContact O-NE1 3.23Å; Y230-W242 AromaticContact CD1-CH2 3.84Å; Y230-W242 HydrophobicContact CD1-CH2 3.84Å; Y230-W242 AromaticContact CD1-CZ2 3.55Å; Y230-W242 HydrophobicContact CD1-CZ2 3.55Å; Y230-W242 AromaticContact CE1-CH2 3.54Å; Y230-W242 HydrophobicContact CE1-CH2 3.54Å; Y230-W242 AromaticContact CE1-CZ2 3.6Å; Y230-W242 HydrophobicContact CE1-CZ2 3.6Å; Y230-W242 HydrophobicContact CG-CZ2 4.13Å; L240-W242 HydrophobicContact CB-CD2 4.48Å; L240-W242 HydrophobicContact CB-CZ2 4.43Å; L240-W242 HydrophobicContact CD1-CZ2 4.37Å; L240-W242 HydrophobicContact CD2-CZ2 4.28Å; L240-W242 PolarHBondContact O-N 3.4Å; L240-W242 VanDerWaalsContact O-N 3.09Å; W242-K244 PolarHBondContact O-N 2.85Å; W242-K244 VanDerWaalsContact O-N 3.09Å; W242-V245 HydrophobicContact CB-CB 4.45Å; W242-V245 HydrophobicContact CB-CG2 4.38Å; W242-V245 WeakPolarHBondContact O-CB 3.32Å; W242-V245 PolarHBondContact O-N 2.65Å; W242-V251 HydrophobicContact CB-CG1 4.28Å; W242-V251 HydrophobicContact CB-CG2 4.2Å; W242-V251 HydrophobicContact CG-CG1 3.9Å; W242-L254 HydrophobicContact CB-CB 4.05Å; W242-L254 HydrophobicContact CB-CD1 3.67Å; W242-L254 HydrophobicContact CE3-CB 4.1Å; W242-K255 HydrophobicContact CD2-CG 3.87Å; W242-K255 HydrophobicContact CE3-CG 3.8Å; W242-K255 HydrophobicContact CH2-CG 3.59Å; W242-K255 HydrophobicContact CZ2-CD 4.17Å; W242-K255 HydrophobicContact CZ2-CG 3.67Å; W242-K255 HydrophobicContact CZ3-CB 4.39Å; W242-K255 HydrophobicContact CZ3-CG 3.65Å; W242-K255 VanDerWaalsContact NE1-CE 3.32Å; W242-N258 HydrophobicContact CZ3-CB 4Å; W242-M263 HydrophobicContact CH2-CE 4.36Å; W242-M263 HydrophobicContact CH2-SD 3.7Å; W242-M263 HydrophobicContact CZ3-SD 4.26Å
243	G	92.2	Very high	95.9	Very high	9 Å²	9	60.4 Å²	60.4	9%	0.093	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-27.9	-169	0	0	0	0	0	115.3	R207 L240	R207-G243 PolarHBondContact NE-O 3.34Å; R207-G243 PolarHBondContact NH2-O 2.95Å; L240-G243 PolarHBondContact O-N 2.9Å
244	K	92.4	Very high	95.7	Very high	194 Å²	194	61.4 Å²	61.4	84%	0.843	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-5.7	178.1	-63.3	-178.7	-177.1	174.6	0	113.8	W242	W242-K244 PolarHBondContact O-N 2.85Å; W242-K244 VanDerWaalsContact O-N 3.09Å
245	V	95.6	Very high	95.7	Very high	47 Å²	47	61.2 Å²	61.2	29%	0.285	29%	0.292	S	S	.	.			trans	-82.1	129.1	-177.8	-177.1	0	0	0	0	109.6	W242 E250 V251 L254	W242-V245 HydrophobicContact CB-CB 4.45Å; W242-V245 HydrophobicContact CB-CG2 4.38Å; W242-V245 WeakPolarHBondContact O-CB 3.32Å; W242-V245 PolarHBondContact O-N 2.65Å; V245-E250 HydrophobicContact CG1-CB 3.76Å; V245-E250 HydrophobicContact CG1-CG 3.58Å; V245-V251 HydrophobicContact CB-CG2 3.8Å; V245-V251 HydrophobicContact CG1-CG2 3.72Å; V245-L254 HydrophobicContact CG2-CD1 3.71Å
246	R	91.8	Very high	95.4	Very high	237 Å²	237	64.4 Å²	64.4	89%	0.894	31%	0.307	S	S	*	.			trans	-96.6	-32.2	178.5	-65.3	-176.2	-179.8	179.7	0.7	112.8	R248	R246-R248 PolarHBondContact O-N 2.78Å
247	D	96.3	Very high	95	Very high	94 Å²	94	68.5 Å²	68.5	50%	0.503	33%	0.326	S	S	.	.			trans	-69.1	129.7	-179.6	179.3	60.7	0	0	0	111	A249 E250 V251	D247-A249 WeakPolarHBondContact OD2-CA 3.33Å; D247-A249 WeakPolarHBondContact OD2-CB 3.3Å; D247-A249 PolarHBondContact OD2-N 3.3Å; D247-E250 HydrophobicContact CB-CB 4.09Å; D247-E250 WeakPolarHBondContact OD2-CB 3.44Å; D247-E250 PolarHBondContact OD2-N 2.9Å; D247-V251 VanDerWaalsContact O-CG2 3.3Å; D247-V251 WeakPolarHBondContact O-CG2 3.48Å; D247-V251 PolarHBondContact O-N 3.5Å; D247-V251 VanDerWaalsContact O-N 3.07Å
248	R	95.7	Very high	94.2	Very high	116 Å²	116	67.9 Å²	67.9	44%	0.438	32%	0.321	S	S	.	.	H	α-helix	trans	-70.7	-38.3	-174.8	-177.4	-178.6	65.3	-163.1	-2.1	111.6	V206 H214 R246 E250 V251 R252	V206-R248 HydrophobicContact CG1-CB 4.28Å; V206-R248 HydrophobicContact CG1-CG 4.27Å; V206-R248 HydrophobicContact CG2-CG 4.4Å; H214-R248 WeakPolarHBondContact ND1-CG 3.37Å; R246-R248 PolarHBondContact O-N 2.78Å; R248-E250 VanDerWaalsContact C-N 3.34Å; R248-V251 PolarHBondContact O-N 3.01Å; R248-R252 PolarHBondContact O-N 3.1Å
249	A	96.5	Very high	93.4	Very high	66 Å²	66	73.4 Å²	73.4	55%	0.545	35%	0.345	S	S	.	.	H	α-helix	trans	-68.1	-38.8	-179.3	0	0	0	0	0	110.7	D247 R252 R253	D247-A249 WeakPolarHBondContact OD2-CA 3.33Å; D247-A249 WeakPolarHBondContact OD2-CB 3.3Å; D247-A249 PolarHBondContact OD2-N 3.3Å; A249-R252 WeakPolarHBondContact O-CB 3.4Å; A249-R252 PolarHBondContact O-N 3.28Å; A249-R253 PolarHBondContact O-N 3.15Å
250	E	96.9	Very high	92.7	Very high	57 Å²	57	69 Å²	69	27%	0.266	32%	0.322	S	S	.	.	H	α-helix	trans	-68.1	-40.3	175.4	-177.7	58.2	-167.8	0	0	112.3	V245 D247 R248 R252 R253 L254	V245-E250 HydrophobicContact CG1-CB 3.76Å; V245-E250 HydrophobicContact CG1-CG 3.58Å; D247-E250 HydrophobicContact CB-CB 4.09Å; D247-E250 WeakPolarHBondContact OD2-CB 3.44Å; D247-E250 PolarHBondContact OD2-N 2.9Å; R248-E250 VanDerWaalsContact C-N 3.34Å; E250-R252 VanDerWaalsContact C-N 3.28Å; E250-R252 PolarHBondContact O-N 3.38Å; E250-R253 PolarHBondContact O-N 2.9Å; E250-R253 IonicContact OE1-CZ 2.85Å; E250-R253 IonicContact OE1-NE 2.65Å; E250-R253 PolarHBondContact OE1-NE 3.33Å; E250-R253 IonicContact OE1-NH2 2.68Å; E250-R253 PolarHBondContact OE1-NH2 3.45Å; E250-R253 IonicContact OE2-CZ 3.2Å; E250-R253 IonicContact OE2-NE 3.43Å; E250-R253 PolarHBondContact OE2-NE 3.27Å; E250-R253 IonicContact OE2-NH2 3.46Å; E250-R253 PolarHBondContact OE2-NH2 2.74Å; E250-L254 HydrophobicContact CG-CD1 4.23Å; E250-L254 WeakPolarHBondContact O-CB 3.08Å; E250-L254 WeakPolarHBondContact O-CG 3.29Å; E250-L254 PolarHBondContact O-N 2.68Å
251	V	96.9	Very high	92.3	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60.3	-40.4	172.4	172.2	0	0	0	0	111.1	V206 W242 V245 D247 R248 L254 K255	V206-V251 HydrophobicContact CG1-CB 3.87Å; V206-V251 HydrophobicContact CG1-CG1 3.99Å; V206-V251 HydrophobicContact CG1-CG2 3.78Å; W242-V251 HydrophobicContact CB-CG1 4.28Å; W242-V251 HydrophobicContact CB-CG2 4.2Å; W242-V251 HydrophobicContact CG-CG1 3.9Å; V245-V251 HydrophobicContact CB-CG2 3.8Å; V245-V251 HydrophobicContact CG1-CG2 3.72Å; D247-V251 VanDerWaalsContact O-CG2 3.3Å; D247-V251 WeakPolarHBondContact O-CG2 3.48Å; D247-V251 PolarHBondContact O-N 3.5Å; D247-V251 VanDerWaalsContact O-N 3.07Å; R248-V251 PolarHBondContact O-N 3.01Å; V251-L254 PolarHBondContact O-N 3.15Å; V251-K255 HydrophobicContact CG1-CD 4.09Å; V251-K255 WeakPolarHBondContact O-CB 3.21Å; V251-K255 WeakPolarHBondContact O-CG 3.47Å; V251-K255 PolarHBondContact O-N 2.92Å
252	R	96.2	Very high	91.9	Very high	92 Å²	92	74.8 Å²	74.8	35%	0.347	35%	0.346	S	S	.	.	H	α-helix	trans	-60.6	-51	174.7	176.4	-173.5	170.4	174.9	-8.5	111	L211 H214 R248 A249 E250 L254 K255 E256	L211-R252 HydrophobicContact CD2-CG 4.33Å; H214-R252 HydrophobicContact CB-CB 3.95Å; H214-R252 HydrophobicContact CB-CG 3.83Å; R248-R252 PolarHBondContact O-N 3.1Å; A249-R252 WeakPolarHBondContact O-CB 3.4Å; A249-R252 PolarHBondContact O-N 3.28Å; E250-R252 VanDerWaalsContact C-N 3.28Å; E250-R252 PolarHBondContact O-N 3.38Å; R252-L254 VanDerWaalsContact C-N 3.3Å; R252-L254 PolarHBondContact O-N 2.73Å; R252-K255 WeakPolarHBondContact O-CB 3.42Å; R252-K255 PolarHBondContact O-N 3.1Å; R252-K255 VanDerWaalsContact O-N 3.08Å; R252-E256 IonicContact CZ-OE1 3.78Å; R252-E256 IonicContact NE-OE1 2.75Å; R252-E256 PolarHBondContact NE-OE1 3.16Å; R252-E256 IonicContact NH2-OE1 3.17Å; R252-E256 PolarHBondContact NH2-OE1 3.34Å; R252-E256 WeakPolarHBondContact O-CG 3.37Å; R252-E256 PolarHBondContact O-N 3.2Å
253	R	96.4	Very high	91.8	Very high	115 Å²	115	75.3 Å²	75.3	43%	0.434	35%	0.349	S	S	.	.	H	α-helix	trans	-55.9	-45.7	178.3	-172.2	-175.7	76	107.4	5.7	111.5	A249 E250 K255 E256 Q257	A249-R253 PolarHBondContact O-N 3.15Å; E250-R253 PolarHBondContact O-N 2.9Å; E250-R253 IonicContact OE1-CZ 2.85Å; E250-R253 IonicContact OE1-NE 2.65Å; E250-R253 PolarHBondContact OE1-NE 3.33Å; E250-R253 IonicContact OE1-NH2 2.68Å; E250-R253 PolarHBondContact OE1-NH2 3.45Å; E250-R253 IonicContact OE2-CZ 3.2Å; E250-R253 IonicContact OE2-NE 3.43Å; E250-R253 PolarHBondContact OE2-NE 3.27Å; E250-R253 IonicContact OE2-NH2 3.46Å; E250-R253 PolarHBondContact OE2-NH2 2.74Å; R253-K255 VanDerWaalsContact C-N 3.33Å; R253-K255 PolarHBondContact O-N 3.44Å; R253-E256 PolarHBondContact O-N 3.38Å; R253-Q257 WeakPolarHBondContact O-CG 3.35Å; R253-Q257 PolarHBondContact O-N 3.15Å
254	L	95.7	Very high	91.9	Very high	25 Å²	25	75 Å²	75	13%	0.131	35%	0.345	C	S	.	.	H	α-helix	trans	-65.7	-34	178	-71.2	171.3	0	0	0	112.6	W242 V245 E250 V251 R252 Q257 N258	W242-L254 HydrophobicContact CB-CB 4.05Å; W242-L254 HydrophobicContact CB-CD1 3.67Å; W242-L254 HydrophobicContact CE3-CB 4.1Å; V245-L254 HydrophobicContact CG2-CD1 3.71Å; E250-L254 HydrophobicContact CG-CD1 4.23Å; E250-L254 WeakPolarHBondContact O-CB 3.08Å; E250-L254 WeakPolarHBondContact O-CG 3.29Å; E250-L254 PolarHBondContact O-N 2.68Å; V251-L254 PolarHBondContact O-N 3.15Å; R252-L254 VanDerWaalsContact C-N 3.3Å; R252-L254 PolarHBondContact O-N 2.73Å; L254-Q257 PolarHBondContact O-N 3.47Å; L254-N258 VanDerWaalsContact O-CB 3.24Å; L254-N258 WeakPolarHBondContact O-CB 3.46Å; L254-N258 PolarHBondContact O-N 2.95Å; L254-N258 PolarHBondContact O-ND2 3Å
255	K	95.4	Very high	92	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-69	-36.4	173	-77.7	175.1	173	-178.3	0	112.6	V206 R207 A209 L211 W242 V251 R252 R253 Q257	V206-K255 PolarHBondContact O-NZ 3.37Å; R207-K255 PolarHBondContact O-NZ 3.26Å; A209-K255 PolarHBondContact O-NZ 2.82Å; L211-K255 HydrophobicContact CD2-CB 3.63Å; L211-K255 HydrophobicContact CG-CB 4.26Å; W242-K255 HydrophobicContact CD2-CG 3.87Å; W242-K255 HydrophobicContact CE3-CG 3.8Å; W242-K255 HydrophobicContact CH2-CG 3.59Å; W242-K255 HydrophobicContact CZ2-CD 4.17Å; W242-K255 HydrophobicContact CZ2-CG 3.67Å; W242-K255 HydrophobicContact CZ3-CB 4.39Å; W242-K255 HydrophobicContact CZ3-CG 3.65Å; W242-K255 VanDerWaalsContact NE1-CE 3.32Å; V251-K255 HydrophobicContact CG1-CD 4.09Å; V251-K255 WeakPolarHBondContact O-CB 3.21Å; V251-K255 WeakPolarHBondContact O-CG 3.47Å; V251-K255 PolarHBondContact O-N 2.92Å; R252-K255 WeakPolarHBondContact O-CB 3.42Å; R252-K255 PolarHBondContact O-N 3.1Å; R252-K255 VanDerWaalsContact O-N 3.08Å; R253-K255 VanDerWaalsContact C-N 3.33Å; R253-K255 PolarHBondContact O-N 3.44Å; K255-Q257 VanDerWaalsContact C-N 3.33Å
256	E	93.3	Very high	92	Very high	67 Å²	67	73.1 Å²	73.1	31%	0.313	35%	0.345	S	S	.	.	H	α-helix	trans	-68.7	-32.9	174.6	-70	168.6	170.7	0	0	111.4	L211 R252 R253 F259	L211-E256 HydrophobicContact CD1-CG 4.35Å; L211-E256 HydrophobicContact CD2-CG 3.76Å; R252-E256 IonicContact CZ-OE1 3.78Å; R252-E256 IonicContact NE-OE1 2.75Å; R252-E256 PolarHBondContact NE-OE1 3.16Å; R252-E256 IonicContact NH2-OE1 3.17Å; R252-E256 PolarHBondContact NH2-OE1 3.34Å; R252-E256 WeakPolarHBondContact O-CG 3.37Å; R252-E256 PolarHBondContact O-N 3.2Å; R253-E256 PolarHBondContact O-N 3.38Å; E256-F259 WeakPolarHBondContact O-CE1 3.25Å; E256-F259 WeakPolarHBondContact O-CE2 3.27Å; E256-F259 WeakPolarHBondContact O-CZ 3.23Å
257	Q	90.1	Very high	92.3	Very high	98 Å²	98	62.6 Å²	62.6	46%	0.458	31%	0.306	S	S	.	.	H	α-helix	trans	-82.7	-42.7	177.6	-71	173.3	-11.3	0	0	113.8	R253 L254 K255 F259	R253-Q257 WeakPolarHBondContact O-CG 3.35Å; R253-Q257 PolarHBondContact O-N 3.15Å; L254-Q257 PolarHBondContact O-N 3.47Å; K255-Q257 VanDerWaalsContact C-N 3.33Å; Q257-F259 VanDerWaalsContact C-N 3.29Å; Q257-F259 PolarHBondContact O-N 3.36Å; Q257-F259 VanDerWaalsContact O-N 3.16Å
258	N	79.9	Confident	92.4	Very high	37 Å²	37	58.6 Å²	58.6	20%	0.198	29%	0.285	C	S	.	.	S	Bend	trans	-90.1	71.1	178.8	-66.5	-91.3	0	0	0	108.6	P241 W242 L254	P241-N258 HydrophobicContact CG-CB 4.29Å; W242-N258 HydrophobicContact CZ3-CB 4Å; L254-N258 VanDerWaalsContact O-CB 3.24Å; L254-N258 WeakPolarHBondContact O-CB 3.46Å; L254-N258 PolarHBondContact O-N 2.95Å; L254-N258 PolarHBondContact O-ND2 3Å
259	F	78.5	Confident	92.4	Very high	115 Å²	115	56.3 Å²	56.3	50%	0.504	28%	0.284	S	S	.	.			trans	-53.2	138.8	177.8	-61.1	-76.3	0	0	0	110.1	E256 Q257 E261 L262 M263	E256-F259 WeakPolarHBondContact O-CE1 3.25Å; E256-F259 WeakPolarHBondContact O-CE2 3.27Å; E256-F259 WeakPolarHBondContact O-CZ 3.23Å; Q257-F259 VanDerWaalsContact C-N 3.29Å; Q257-F259 PolarHBondContact O-N 3.36Å; Q257-F259 VanDerWaalsContact O-N 3.16Å; F259-E261 VanDerWaalsContact CB-OE2 3.3Å; F259-E261 WeakPolarHBondContact CB-OE2 3.22Å; F259-E261 PolarHBondContact O-N 3.26Å; F259-L262 WeakPolarHBondContact O-CB 3.39Å; F259-L262 PolarHBondContact O-N 2.96Å; F259-M263 PolarHBondContact O-N 3.33Å
260	P	80.7	Confident	92.5	Very high	4 Å²	4	54.6 Å²	54.6	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-43.9	-32.6	177.6	-34.1	36.4	0	0	0	114.8	W226 F229 L262 M263 C264 V275	W226-P260 HydrophobicContact CE3-CG 4.27Å; W226-P260 HydrophobicContact CH2-CB 4.22Å; W226-P260 HydrophobicContact CH2-CG 3.79Å; W226-P260 HydrophobicContact CZ3-CB 3.77Å; W226-P260 HydrophobicContact CZ3-CG 3.36Å; F229-P260 HydrophobicContact CD1-CB 4.49Å; F229-P260 HydrophobicContact CE1-CB 3.73Å; F229-P260 HydrophobicContact CE1-CG 4.29Å; F229-P260 HydrophobicContact CZ-CB 3.98Å; P260-L262 VanDerWaalsContact C-N 3.35Å; P260-L262 PolarHBondContact O-N 2.73Å; P260-M263 WeakPolarHBondContact O-CB 3.23Å; P260-M263 PolarHBondContact O-N 3.39Å; P260-M263 VanDerWaalsContact O-N 3.16Å; P260-C264 PolarHBondContact O-N 3.37Å; P260-C264 PolarHBondContact O-SG 2.72Å; P260-V275 HydrophobicContact CB-CB 4.43Å; P260-V275 HydrophobicContact CB-CG1 3.61Å; P260-V275 HydrophobicContact CB-CG2 3.86Å
261	E	85.7	Confident	92.6	Very high	90 Å²	90	51.9 Å²	51.9	42%	0.421	25%	0.252	S	S	.	.	H	α-helix	trans	-61	-38.4	175.9	-63.4	77	-171.2	0	0	113	F259 C264 V275 R279	F259-E261 VanDerWaalsContact CB-OE2 3.3Å; F259-E261 WeakPolarHBondContact CB-OE2 3.22Å; F259-E261 PolarHBondContact O-N 3.26Å; E261-C264 WeakPolarHBondContact O-CB 3.13Å; E261-C264 PolarHBondContact O-N 3.33Å; E261-V275 HydrophobicContact CG-CG1 4.3Å; E261-R279 IonicContact OE1-CZ 2.73Å; E261-R279 IonicContact OE1-NE 2.72Å; E261-R279 PolarHBondContact OE1-NE 3.23Å; E261-R279 IonicContact OE1-NH2 3.53Å; E261-R279 PolarHBondContact OE1-NH2 2.89Å; E261-R279 IonicContact OE2-CZ 3.1Å; E261-R279 IonicContact OE2-NE 3.69Å; E261-R279 IonicContact OE2-NH2 3.63Å; E261-R279 PolarHBondContact OE2-NH2 3.31Å
262	L	87.8	Confident	92.6	Very high	106 Å²	106	59.2 Å²	59.2	56%	0.555	28%	0.28	S	S	*	.	H	α-helix	trans	-68.9	-39.3	173.5	-179.4	62.6	0	0	0	111	F259 P260 C264 S265	F259-L262 WeakPolarHBondContact O-CB 3.39Å; F259-L262 PolarHBondContact O-N 2.96Å; P260-L262 VanDerWaalsContact C-N 3.35Å; P260-L262 PolarHBondContact O-N 2.73Å; L262-C264 VanDerWaalsContact C-N 3.28Å; L262-C264 PolarHBondContact O-N 3.32Å; L262-S265 WeakPolarHBondContact O-CB 3.47Å; L262-S265 PolarHBondContact O-N 2.78Å; L262-S265 PolarHBondContact O-OG 3Å
263	M	93.5	Very high	92.7	Very high	13 Å²	13	58.9 Å²	58.9	6%	0.064	29%	0.285	C	S	.	.	H	α-helix	trans	-63.8	-35.2	177.3	-64.2	-178.3	61.6	0	0	111.9	F229 Y230 L240 W242 F259 P260 S265 Q266	F229-M263 HydrophobicContact CE1-CB 4.38Å; F229-M263 HydrophobicContact CE1-CE 4.19Å; F229-M263 HydrophobicContact CE1-SD 3.97Å; F229-M263 HydrophobicContact CZ-CB 4.02Å; Y230-M263 HydrophobicContact CD1-CE 4.2Å; Y230-M263 HydrophobicContact CD1-SD 4.27Å; Y230-M263 HydrophobicContact CE1-SD 4.19Å; L240-M263 HydrophobicContact CD2-CE 3.55Å; W242-M263 HydrophobicContact CH2-CE 4.36Å; W242-M263 HydrophobicContact CH2-SD 3.7Å; W242-M263 HydrophobicContact CZ3-SD 4.26Å; F259-M263 PolarHBondContact O-N 3.33Å; P260-M263 WeakPolarHBondContact O-CB 3.23Å; P260-M263 PolarHBondContact O-N 3.39Å; P260-M263 VanDerWaalsContact O-N 3.16Å; M263-S265 PolarHBondContact O-N 2.83Å; M263-Q266 PolarHBondContact O-N 2.84Å; M263-Q266 VanDerWaalsContact O-N 3.07Å
264	C	94.8	Very high	92.8	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.014	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-59.1	-17.5	176.6	-70.9	0	0	0	0	114.3	P260 E261 L262 Q266 L267 R272	P260-C264 PolarHBondContact O-N 3.37Å; P260-C264 PolarHBondContact O-SG 2.72Å; E261-C264 WeakPolarHBondContact O-CB 3.13Å; E261-C264 PolarHBondContact O-N 3.33Å; L262-C264 VanDerWaalsContact C-N 3.28Å; L262-C264 PolarHBondContact O-N 3.32Å; C264-Q266 PolarHBondContact O-N 3.47Å; C264-L267 PolarHBondContact O-N 2.87Å; C264-R272 HydrophobicContact CB-CG 3.93Å
265	S	94.5	Very high	92.9	Very high	79 Å²	79	52.4 Å²	52.4	55%	0.552	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-63.6	-22.7	174	65.2	0	0	0	0	113.7	L262 M263	L262-S265 WeakPolarHBondContact O-CB 3.47Å; L262-S265 PolarHBondContact O-N 2.78Å; L262-S265 PolarHBondContact O-OG 3Å; M263-S265 PolarHBondContact O-N 2.83Å
266	Q	94.9	Very high	93	Very high	123 Å²	123	54.8 Å²	54.8	58%	0.575	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-104.1	5.5	179.8	-64.7	177.5	71.9	0	0	112.9	V237 M263 C264	V237-Q266 HydrophobicContact CG2-CB 3.88Å; M263-Q266 PolarHBondContact O-N 2.84Å; M263-Q266 VanDerWaalsContact O-N 3.07Å; C264-Q266 PolarHBondContact O-N 3.47Å
267	L	97.6	Very high	93.2	Very high	15 Å²	15	52.6 Å²	52.6	8%	0.079	27%	0.265	C	S	.	.	S	Bend	trans	-117.2	163.9	-177.3	-53.8	178.5	0	0	0	110	F229 I236 V237 C264 T269 F271	F229-L267 HydrophobicContact CE2-CD1 3.74Å; F229-L267 HydrophobicContact CZ-CD1 4.13Å; I236-L267 HydrophobicContact CB-CD2 4.03Å; I236-L267 HydrophobicContact CD1-CD2 4.04Å; I236-L267 HydrophobicContact CG2-CD2 4Å; V237-L267 HydrophobicContact CG2-CD2 3.98Å; C264-L267 PolarHBondContact O-N 2.87Å; L267-T269 PolarHBondContact O-N 2.87Å; L267-F271 HydrophobicContact CB-CB 4.03Å; L267-F271 HydrophobicContact CB-CD2 3.97Å; L267-F271 HydrophobicContact CB-CG 3.98Å; L267-F271 HydrophobicContact CD1-CB 4.1Å; L267-F271 HydrophobicContact CD1-CD1 3.95Å; L267-F271 HydrophobicContact CD1-CG 3.94Å
268	P	98.3	Very high	93.6	Very high	10 Å²	10	48 Å²	48	7%	0.065	24%	0.243	C	C	.	.			trans	-50.3	141.1	167.5	-27.8	36.2	0	0	0	111.6	L131 L135 E270 F271 A299 L303	L131-P268 HydrophobicContact CD2-CG 3.94Å; L135-P268 HydrophobicContact CD2-CG 4.44Å; P268-E270 WeakPolarHBondContact CB-OE2 3.42Å; P268-E270 PolarHBondContact O-N 2.87Å; P268-F271 HydrophobicContact CB-CD2 4.11Å; P268-F271 HydrophobicContact CB-CE2 4.42Å; P268-F271 HydrophobicContact CG-CD2 4.28Å; P268-F271 HydrophobicContact CG-CE2 4.24Å; P268-F271 WeakPolarHBondContact O-CB 3.27Å; P268-F271 PolarHBondContact O-N 2.96Å; P268-A299 HydrophobicContact CB-CB 3.96Å; P268-L303 HydrophobicContact CG-CD1 4.3Å
269	T	97.6	Very high	94.4	Very high	68 Å²	68	51.4 Å²	51.4	42%	0.417	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-27.1	-171.5	42.2	0	0	0	0	113.9	L267 F271 R272 R302	L267-T269 PolarHBondContact O-N 2.87Å; T269-F271 PolarHBondContact O-N 2.48Å; T269-R272 WeakPolarHBondContact O-CB 3.35Å; T269-R272 WeakPolarHBondContact O-CG 3.31Å; T269-R272 PolarHBondContact O-N 3.35Å; T269-R302 PolarHBondContact OG1-NH2 3.09Å
270	E	98.2	Very high	95.3	Very high	30 Å²	30	52.9 Å²	52.9	14%	0.14	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-24.1	178.6	-62.1	71.7	-155.7	0	0	112.9	P268 R272 L273 F274 T295 A299 R302	P268-E270 WeakPolarHBondContact CB-OE2 3.42Å; P268-E270 PolarHBondContact O-N 2.87Å; E270-R272 PolarHBondContact O-N 3.45Å; E270-R272 VanDerWaalsContact O-N 3.15Å; E270-L273 WeakPolarHBondContact O-CB 3.49Å; E270-L273 PolarHBondContact O-N 3.2Å; E270-F274 PolarHBondContact O-N 3.36Å; E270-T295 VanDerWaalsContact CB-O 3.3Å; E270-T295 WeakPolarHBondContact CB-O 3.48Å; E270-A299 HydrophobicContact CB-CB 4.18Å; E270-A299 HydrophobicContact CG-CB 3.98Å; E270-A299 WeakPolarHBondContact OE2-CB 3.47Å; E270-R302 IonicContact OE1-CZ 3.4Å; E270-R302 IonicContact OE1-NE 3.45Å; E270-R302 PolarHBondContact OE1-NE 2.95Å; E270-R302 IonicContact OE1-NH2 3.73Å; E270-R302 PolarHBondContact OE1-NH2 3.18Å; E270-R302 IonicContact OE2-CZ 3.45Å; E270-R302 IonicContact OE2-NE 3.65Å; E270-R302 IonicContact OE2-NH2 3.38Å; E270-R302 PolarHBondContact OE2-NH2 3.21Å
271	F	98.1	Very high	96.1	Very high	1 Å²	1	53.9 Å²	53.9	0%	0.004	27%	0.265	C	S	.	.	H	α-helix	trans	-62.8	-20.4	174.9	-84.1	-92.4	0	0	0	113	L135 F229 C232 I236 L267 P268 T269 L273 F274 V275 I296	L135-F271 HydrophobicContact CD2-CE2 3.86Å; L135-F271 HydrophobicContact CD2-CZ 4.31Å; F229-F271 HydrophobicContact CD2-CD1 4.04Å; F229-F271 HydrophobicContact CE2-CD1 4.09Å; C232-F271 HydrophobicContact CB-CE1 4.12Å; C232-F271 HydrophobicContact CB-CZ 4.32Å; C232-F271 WeakPolarHBondContact SG-CZ 2.95Å; I236-F271 HydrophobicContact CD1-CE2 4.24Å; I236-F271 HydrophobicContact CD1-CZ 4.38Å; L267-F271 HydrophobicContact CB-CB 4.03Å; L267-F271 HydrophobicContact CB-CD2 3.97Å; L267-F271 HydrophobicContact CB-CG 3.98Å; L267-F271 HydrophobicContact CD1-CB 4.1Å; L267-F271 HydrophobicContact CD1-CD1 3.95Å; L267-F271 HydrophobicContact CD1-CG 3.94Å; P268-F271 HydrophobicContact CB-CD2 4.11Å; P268-F271 HydrophobicContact CB-CE2 4.42Å; P268-F271 HydrophobicContact CG-CD2 4.28Å; P268-F271 HydrophobicContact CG-CE2 4.24Å; P268-F271 WeakPolarHBondContact O-CB 3.27Å; P268-F271 PolarHBondContact O-N 2.96Å; T269-F271 PolarHBondContact O-N 2.48Å; F271-L273 VanDerWaalsContact C-N 3.31Å; F271-L273 PolarHBondContact O-N 2.64Å; F271-F274 HydrophobicContact CD1-CB 4.49Å; F271-F274 WeakPolarHBondContact O-CB 3.28Å; F271-F274 PolarHBondContact O-N 2.68Å; F271-V275 WeakPolarHBondContact O-CG2 3.42Å; F271-V275 PolarHBondContact O-N 2.75Å; F271-I296 HydrophobicContact CE1-CD1 4.4Å; F271-I296 HydrophobicContact CE2-CD1 4.19Å; F271-I296 HydrophobicContact CZ-CD1 3.74Å
272	R	97.7	Very high	96.7	Very high	153 Å²	153	56.6 Å²	56.6	58%	0.577	28%	0.275	S	S	*	.	H	α-helix	trans	-63	-39.6	171.7	-65.4	-180	-177.3	145.6	1.3	111.6	C264 T269 E270 S276	C264-R272 HydrophobicContact CB-CG 3.93Å; T269-R272 WeakPolarHBondContact O-CB 3.35Å; T269-R272 WeakPolarHBondContact O-CG 3.31Å; T269-R272 PolarHBondContact O-N 3.35Å; E270-R272 PolarHBondContact O-N 3.45Å; E270-R272 VanDerWaalsContact O-N 3.15Å; R272-S276 VanDerWaalsContact O-CB 3.23Å; R272-S276 WeakPolarHBondContact O-CB 3.41Å; R272-S276 PolarHBondContact O-N 2.84Å
273	L	97.8	Very high	97.1	Very high	86 Å²	86	53.3 Å²	53.3	45%	0.45	26%	0.257	S	S	.	.	H	α-helix	trans	-70	-40.8	176.1	-179.1	56.6	0	0	0	110.8	E270 F271 V275 S276 H277 L291 T295	E270-L273 WeakPolarHBondContact O-CB 3.49Å; E270-L273 PolarHBondContact O-N 3.2Å; F271-L273 VanDerWaalsContact C-N 3.31Å; F271-L273 PolarHBondContact O-N 2.64Å; L273-V275 PolarHBondContact O-N 3.41Å; L273-S276 PolarHBondContact O-N 2.87Å; L273-H277 WeakPolarHBondContact O-CB 3.46Å; L273-H277 PolarHBondContact O-N 2.87Å; L273-L291 HydrophobicContact CD1-CD1 4.49Å; L273-L291 HydrophobicContact CD2-CD1 3.9Å; L273-L291 HydrophobicContact CG-CD1 4.17Å; L273-T295 HydrophobicContact CB-CG2 4.07Å; L273-T295 HydrophobicContact CD2-CG2 3.89Å; L273-T295 HydrophobicContact CG-CG2 3.89Å
274	F	98.3	Very high	97.3	Very high	1 Å²	1	57.1 Å²	57.1	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-54.3	-53.1	172.9	-166.3	-70.4	0	0	0	111.2	I142 F225 L228 F229 E270 F271 H277 L278 L292	I142-F274 HydrophobicContact CD1-CE2 4.21Å; F225-F274 HydrophobicContact CD1-CZ 4.1Å; L228-F274 HydrophobicContact CD2-CZ 4.44Å; F229-F274 HydrophobicContact CB-CE1 4.14Å; F229-F274 HydrophobicContact CD2-CD1 4.45Å; E270-F274 PolarHBondContact O-N 3.36Å; F271-F274 HydrophobicContact CD1-CB 4.49Å; F271-F274 WeakPolarHBondContact O-CB 3.28Å; F271-F274 PolarHBondContact O-N 2.68Å; F274-H277 PolarHBondContact O-N 3.48Å; F274-L278 HydrophobicContact CD1-CD1 4.08Å; F274-L278 HydrophobicContact CD1-CG 4.18Å; F274-L278 HydrophobicContact CE1-CD1 3.76Å; F274-L278 HydrophobicContact CE1-CG 4.17Å; F274-L278 WeakPolarHBondContact O-CG 3.47Å; F274-L278 PolarHBondContact O-N 2.99Å; F274-L278 VanDerWaalsContact O-N 3.17Å; F274-L292 HydrophobicContact CB-CD2 4.44Å; F274-L292 HydrophobicContact CD1-CD2 3.89Å; F274-L292 HydrophobicContact CD2-CB 4.43Å; F274-L292 HydrophobicContact CD2-CD2 3.47Å; F274-L292 VanDerWaalsContact CD2-CD2 3.47Å; F274-L292 HydrophobicContact CE1-CD2 3.96Å; F274-L292 HydrophobicContact CE2-CB 4.18Å; F274-L292 HydrophobicContact CE2-CD2 3.55Å; F274-L292 HydrophobicContact CE2-CG 4.38Å; F274-L292 HydrophobicContact CG-CD2 3.65Å; F274-L292 HydrophobicContact CZ-CD2 3.79Å
275	V	97.9	Very high	97.5	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.012	29%	0.288	C	S	.	.	H	α-helix	trans	-64.2	-44.1	178.5	167.6	0	0	0	0	111.9	W226 F229 P260 E261 F271 L273 H277 L278 R279	W226-V275 HydrophobicContact CH2-CG1 4.33Å; F229-V275 HydrophobicContact CD2-CG2 3.82Å; F229-V275 HydrophobicContact CE1-CG2 4.39Å; F229-V275 HydrophobicContact CE2-CG2 3.39Å; F229-V275 HydrophobicContact CG-CG2 4.47Å; F229-V275 HydrophobicContact CZ-CG2 3.72Å; P260-V275 HydrophobicContact CB-CB 4.43Å; P260-V275 HydrophobicContact CB-CG1 3.61Å; P260-V275 HydrophobicContact CB-CG2 3.86Å; E261-V275 HydrophobicContact CG-CG1 4.3Å; F271-V275 WeakPolarHBondContact O-CG2 3.42Å; F271-V275 PolarHBondContact O-N 2.75Å; L273-V275 PolarHBondContact O-N 3.41Å; V275-H277 VanDerWaalsContact C-N 3.25Å; V275-H277 PolarHBondContact O-N 2.95Å; V275-L278 PolarHBondContact O-N 3.29Å; V275-R279 HydrophobicContact CG1-CG 4.36Å; V275-R279 WeakPolarHBondContact O-CG 3.5Å; V275-R279 PolarHBondContact O-N 3.31Å
276	S	97.4	Very high	97.7	Very high	50 Å²	50	61.4 Å²	61.4	35%	0.35	28%	0.282	S	S	.	.	H	α-helix	trans	-58.5	-39	178.7	-177	0	0	0	0	112	R272 L273 K280	R272-S276 VanDerWaalsContact O-CB 3.23Å; R272-S276 WeakPolarHBondContact O-CB 3.41Å; R272-S276 PolarHBondContact O-N 2.84Å; L273-S276 PolarHBondContact O-N 2.87Å; S276-K280 WeakPolarHBondContact O-CG 3.4Å
277	H	98.4	Very high	97.8	Very high	21 Å²	21	55.6 Å²	55.6	10%	0.097	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-53	173.5	178.8	54.2	0	0	0	111.7	L273 F274 V275 R279 K280 D288 L291	L273-H277 WeakPolarHBondContact O-CB 3.46Å; L273-H277 PolarHBondContact O-N 2.87Å; F274-H277 PolarHBondContact O-N 3.48Å; V275-H277 VanDerWaalsContact C-N 3.25Å; V275-H277 PolarHBondContact O-N 2.95Å; H277-R279 PolarHBondContact O-N 2.9Å; H277-R279 VanDerWaalsContact O-N 3.16Å; H277-K280 PolarHBondContact O-N 2.96Å; H277-D288 WeakPolarHBondContact CE1-CB 3.5Å; H277-D288 PolarHBondContact CE1-N 3.45Å; H277-D288 WeakPolarHBondContact NE2-CB 3.07Å; H277-D288 PolarHBondContact NE2-N 3.49Å; H277-L291 HydrophobicContact CB-CD2 3.91Å
278	L	98.2	Very high	97.9	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-57.5	-34.3	-179.2	-63.2	-163.7	0	0	0	113.3	L222 F225 W226 F274 V275 K280 L281 L292	L222-L278 HydrophobicContact CD1-CB 3.87Å; L222-L278 HydrophobicContact CD1-CD2 3.92Å; L222-L278 HydrophobicContact CD1-CG 4.32Å; L222-L278 WeakPolarHBondContact CD1-O 3.33Å; F225-L278 HydrophobicContact CB-CD1 4Å; F225-L278 HydrophobicContact CB-CD2 3.69Å; F225-L278 HydrophobicContact CG-CD2 4.43Å; W226-L278 HydrophobicContact CD2-CB 4.41Å; W226-L278 HydrophobicContact CD2-CD1 3.83Å; W226-L278 HydrophobicContact CE3-CD1 3.85Å; W226-L278 HydrophobicContact CG-CD1 4.28Å; W226-L278 HydrophobicContact CH2-CB 3.92Å; W226-L278 HydrophobicContact CH2-CD1 4.43Å; W226-L278 HydrophobicContact CZ2-CB 3.6Å; W226-L278 HydrophobicContact CZ2-CD1 4.44Å; W226-L278 HydrophobicContact CZ3-CB 4.44Å; W226-L278 HydrophobicContact CZ3-CD1 4.13Å; F274-L278 HydrophobicContact CD1-CD1 4.08Å; F274-L278 HydrophobicContact CD1-CG 4.18Å; F274-L278 HydrophobicContact CE1-CD1 3.76Å; F274-L278 HydrophobicContact CE1-CG 4.17Å; F274-L278 WeakPolarHBondContact O-CG 3.47Å; F274-L278 PolarHBondContact O-N 2.99Å; F274-L278 VanDerWaalsContact O-N 3.17Å; V275-L278 PolarHBondContact O-N 3.29Å; L278-K280 VanDerWaalsContact C-N 3.28Å; L278-K280 PolarHBondContact O-N 3.22Å; L278-L281 HydrophobicContact CD2-CD1 4.25Å; L278-L281 PolarHBondContact O-N 3.01Å; L278-L292 HydrophobicContact CD2-CD2 4.29Å
279	R	96.2	Very high	97.9	Very high	110 Å²	110	58.5 Å²	58.5	42%	0.415	27%	0.27	S	S	.	.	H	α-helix	trans	-65.1	-27.6	177.5	-73.5	-69	-163.5	176.8	5.9	114	W226 E261 V275 H277	W226-R279 HydrophobicContact CH2-CG 4.25Å; W226-R279 HydrophobicContact CZ2-CG 4.37Å; E261-R279 IonicContact OE1-CZ 2.73Å; E261-R279 IonicContact OE1-NE 2.72Å; E261-R279 PolarHBondContact OE1-NE 3.23Å; E261-R279 IonicContact OE1-NH2 3.53Å; E261-R279 PolarHBondContact OE1-NH2 2.89Å; E261-R279 IonicContact OE2-CZ 3.1Å; E261-R279 IonicContact OE2-NE 3.69Å; E261-R279 IonicContact OE2-NH2 3.63Å; E261-R279 PolarHBondContact OE2-NH2 3.31Å; V275-R279 HydrophobicContact CG1-CG 4.36Å; V275-R279 WeakPolarHBondContact O-CG 3.5Å; V275-R279 PolarHBondContact O-N 3.31Å; H277-R279 PolarHBondContact O-N 2.9Å; H277-R279 VanDerWaalsContact O-N 3.16Å
280	K	97.5	Very high	98	Very high	145 Å²	145	60.9 Å²	60.9	63%	0.63	28%	0.276	S	S	*	.	H	α-helix	trans	-81.9	-21.8	-178.3	-66.9	170	-174.1	177	0	112.5	S276 H277 L278	S276-K280 WeakPolarHBondContact O-CG 3.4Å; H277-K280 PolarHBondContact O-N 2.96Å; L278-K280 VanDerWaalsContact C-N 3.28Å; L278-K280 PolarHBondContact O-N 3.22Å
281	L	98.2	Very high	98	Very high	26 Å²	26	61.6 Å²	61.6	14%	0.136	28%	0.281	C	S	.	.			trans	-77.8	144.2	-174.5	-61.3	175	0	0	0	111.9	L222 L278 D285 P287	L222-L281 HydrophobicContact CD1-CB 4.03Å; L222-L281 HydrophobicContact CD1-CD1 4.02Å; L222-L281 HydrophobicContact CD2-CB 4.03Å; L222-L281 WeakPolarHBondContact CD2-O 3.44Å; L222-L281 HydrophobicContact CG-CB 4.44Å; L278-L281 HydrophobicContact CD2-CD1 4.25Å; L278-L281 PolarHBondContact O-N 3.01Å; L281-D285 WeakPolarHBondContact CA-OD2 3.32Å; L281-D285 HydrophobicContact CB-CB 4.26Å; L281-D285 HydrophobicContact CD2-CB 3.68Å; L281-P287 HydrophobicContact CD1-CB 4.06Å; L281-P287 HydrophobicContact CD1-CG 4.22Å
282	K	97.3	Very high	98	Very high	147 Å²	147	61.6 Å²	61.6	64%	0.639	28%	0.281	S	S	*	.			trans	-109.4	-177.6	173.2	-60.3	177.2	-176.4	174.1	0	110.2	E284 D285	K282-E284 VanDerWaalsContact C-N 3.29Å; K282-E284 PolarHBondContact O-N 3.44Å; K282-D285 WeakPolarHBondContact CB-OD2 3.22Å; K282-D285 PolarHBondContact N-OD2 2.81Å; K282-D285 PolarHBondContact O-N 3.46Å
283	F	97.5	Very high	98.1	Very high	37 Å²	37	55.5 Å²	55.5	16%	0.162	26%	0.259	C	S	.	.	S	Bend	trans	-60.5	-39.1	-176.7	175.6	-92	0	0	0	112.6	K196 D218 S220	K196-F283 HydrophobicContact CB-CD1 3.85Å; K196-F283 HydrophobicContact CB-CE1 3.64Å; K196-F283 HydrophobicContact CB-CE2 4.33Å; K196-F283 HydrophobicContact CB-CG 4.3Å; K196-F283 HydrophobicContact CB-CZ 3.9Å; K196-F283 HydrophobicContact CD-CB 4.38Å; K196-F283 HydrophobicContact CD-CD1 4.39Å; K196-F283 HydrophobicContact CD-CD2 4.1Å; K196-F283 HydrophobicContact CD-CG 4.03Å; K196-F283 HydrophobicContact CG-CD1 4.22Å; K196-F283 HydrophobicContact CG-CD2 4.01Å; K196-F283 HydrophobicContact CG-CE1 4.16Å; K196-F283 HydrophobicContact CG-CE2 3.95Å; K196-F283 HydrophobicContact CG-CG 4.15Å; K196-F283 HydrophobicContact CG-CZ 4.03Å; D218-F283 HydrophobicContact CB-CE2 3.88Å; D218-F283 HydrophobicContact CB-CZ 4.45Å; S220-F283 VanDerWaalsContact CB-O 3.26Å; S220-F283 WeakPolarHBondContact CB-O 2.98Å
284	E	97.6	Very high	98.1	Very high	93 Å²	93	54.1 Å²	54.1	44%	0.435	26%	0.255	S	S	.	.	S	Bend	trans	-82.1	-20.7	-174.7	-57.4	73.4	-158	0	0	112.3	L193 R221 K282	L193-E284 HydrophobicContact CD1-CB 3.98Å; L193-E284 VanDerWaalsContact CD1-O 3.26Å; L193-E284 WeakPolarHBondContact CD1-O 3.48Å; R221-E284 PolarHBondContact NH2-O 3.33Å; K282-E284 VanDerWaalsContact C-N 3.29Å; K282-E284 PolarHBondContact O-N 3.44Å
285	D	98	Very high	98.1	Very high	58 Å²	58	54.3 Å²	54.3	31%	0.31	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-67.9	147.3	-168.9	-66.7	-27.7	0	0	0	112	R221 L281 K282	R221-D285 PolarHBondContact NE-O 2.57Å; R221-D285 PolarHBondContact NH2-O 3.32Å; L281-D285 WeakPolarHBondContact CA-OD2 3.32Å; L281-D285 HydrophobicContact CB-CB 4.26Å; L281-D285 HydrophobicContact CD2-CB 3.68Å; K282-D285 WeakPolarHBondContact CB-OD2 3.22Å; K282-D285 PolarHBondContact N-OD2 2.81Å; K282-D285 PolarHBondContact O-N 3.46Å
286	R	98.1	Very high	98.1	Very high	113 Å²	113	54.2 Å²	54.2	43%	0.426	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-88.7	121.6	167.7	-177	175.6	173.6	83.1	3.6	107.3	D150 D288 Y289	D150-R286 IonicContact OD1-CZ 2.81Å; D150-R286 IonicContact OD1-NH1 3.97Å; D150-R286 PolarHBondContact OD1-NH1 2.7Å; D150-R286 IonicContact OD1-NH2 2.79Å; D150-R286 PolarHBondContact OD1-NH2 3.04Å; D150-R286 IonicContact OD2-NH2 3.31Å; D150-R286 PolarHBondContact OD2-NH2 3.5Å; R286-D288 PolarHBondContact O-N 3.25Å; R286-Y289 HydrophobicContact CG-CE2 3.81Å; R286-Y289 VanDerWaalsContact CZ-CE2 3.47Å
287	P	98.6	Very high	98.2	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.006	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-56	135.3	171	-23.9	33.4	0	0	0	110.6	R221 F225 L281 Y289 L292	R221-P287 HydrophobicContact CB-CG 3.94Å; F225-P287 HydrophobicContact CD2-CB 4.12Å; F225-P287 HydrophobicContact CD2-CG 3.95Å; F225-P287 HydrophobicContact CE2-CB 4.07Å; F225-P287 HydrophobicContact CE2-CG 4.06Å; L281-P287 HydrophobicContact CD1-CB 4.06Å; L281-P287 HydrophobicContact CD1-CG 4.22Å; P287-Y289 VanDerWaalsContact C-N 3.35Å; P287-Y289 HydrophobicContact CB-CE1 4.3Å; P287-Y289 HydrophobicContact CB-CE2 4.46Å; P287-Y289 WeakPolarHBondContact O-CD2 3.12Å; P287-Y289 WeakPolarHBondContact O-CE2 3.46Å; P287-Y289 PolarHBondContact O-N 3.29Å; P287-L292 HydrophobicContact CB-CD1 4.32Å
288	D	98.7	Very high	98.2	Very high	77 Å²	77	57.2 Å²	57.2	41%	0.412	27%	0.27	S	S	.	.			trans	-69.3	91.7	164.3	-170.8	-19.6	0	0	0	109.8	H277 R286 E290 L291 L292	H277-D288 WeakPolarHBondContact CE1-CB 3.5Å; H277-D288 PolarHBondContact CE1-N 3.45Å; H277-D288 WeakPolarHBondContact NE2-CB 3.07Å; H277-D288 PolarHBondContact NE2-N 3.49Å; R286-D288 PolarHBondContact O-N 3.25Å; D288-E290 VanDerWaalsContact C-N 3.32Å; D288-E290 PolarHBondContact OD1-N 3.33Å; D288-L291 HydrophobicContact CB-CB 3.87Å; D288-L291 HydrophobicContact CB-CD2 4.43Å; D288-L291 WeakPolarHBondContact OD1-CB 3.46Å; D288-L291 PolarHBondContact OD1-N 3.1Å; D288-L291 WeakPolarHBondContact OD2-CB 3.4Å; D288-L292 VanDerWaalsContact O-CG 3.29Å; D288-L292 WeakPolarHBondContact O-CG 3.4Å; D288-L292 PolarHBondContact O-N 3.46Å
289	Y	98.7	Very high	98.2	Very high	8 Å²	8	57.1 Å²	57.1	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-66.9	-34.2	-178.4	-56.7	-88.2	0	0	0	112.5	Q146 H149 F225 R286 P287 L292 L293	Q146-Y289 HydrophobicContact CB-CD1 3.42Å; Q146-Y289 VanDerWaalsContact CB-CD1 3.42Å; Q146-Y289 HydrophobicContact CB-CE1 3.7Å; Q146-Y289 HydrophobicContact CB-CG 3.89Å; Q146-Y289 HydrophobicContact CG-CD1 3.66Å; Q146-Y289 HydrophobicContact CG-CD2 3.85Å; Q146-Y289 HydrophobicContact CG-CE1 3.94Å; Q146-Y289 HydrophobicContact CG-CE2 4.15Å; Q146-Y289 HydrophobicContact CG-CG 3.61Å; H149-Y289 WeakPolarHBondContact CB-OH 3.26Å; H149-Y289 AromaticContact ND1-CE1 3.73Å; H149-Y289 AromaticContact ND1-CZ 3.7Å; H149-Y289 PolarHBondContact ND1-OH 2.83Å; F225-Y289 AromaticContact CE2-CD1 3.87Å; F225-Y289 HydrophobicContact CE2-CD1 3.87Å; F225-Y289 AromaticContact CE2-CE1 3.46Å; F225-Y289 HydrophobicContact CE2-CE1 3.46Å; F225-Y289 VanDerWaalsContact CE2-CE1 3.46Å; F225-Y289 AromaticContact CZ-CD1 3.57Å; F225-Y289 HydrophobicContact CZ-CD1 3.57Å; F225-Y289 AromaticContact CZ-CE1 3.62Å; F225-Y289 HydrophobicContact CZ-CE1 3.62Å; R286-Y289 HydrophobicContact CG-CE2 3.81Å; R286-Y289 VanDerWaalsContact CZ-CE2 3.47Å; P287-Y289 VanDerWaalsContact C-N 3.35Å; P287-Y289 HydrophobicContact CB-CE1 4.3Å; P287-Y289 HydrophobicContact CB-CE2 4.46Å; P287-Y289 WeakPolarHBondContact O-CD2 3.12Å; P287-Y289 WeakPolarHBondContact O-CE2 3.46Å; P287-Y289 PolarHBondContact O-N 3.29Å; Y289-L292 PolarHBondContact O-N 2.72Å; Y289-L293 WeakPolarHBondContact O-CB 3.5Å; Y289-L293 PolarHBondContact O-N 2.72Å
290	E	98.6	Very high	98.3	Very high	119 Å²	119	52.3 Å²	52.3	56%	0.556	25%	0.252	S	S	*	.	H	α-helix	trans	-68.3	-42.3	179.8	-174.8	56.8	-143.2	0	0	110.4	D288 L292 L293 T294	D288-E290 VanDerWaalsContact C-N 3.32Å; D288-E290 PolarHBondContact OD1-N 3.33Å; E290-L292 PolarHBondContact O-N 3.24Å; E290-L293 PolarHBondContact O-N 2.79Å; E290-T294 VanDerWaalsContact O-CB 3.23Å; E290-T294 WeakPolarHBondContact O-CB 3.47Å; E290-T294 PolarHBondContact O-N 3.24Å; E290-T294 PolarHBondContact O-OG1 3.33Å
291	L	98.7	Very high	98.4	Very high	45 Å²	45	49.7 Å²	49.7	24%	0.236	25%	0.252	C	S	.	.	H	α-helix	trans	-58.2	-49.2	171.6	175.9	63.9	0	0	0	111.3	L273 H277 D288 L293 T294 T295	L273-L291 HydrophobicContact CD1-CD1 4.49Å; L273-L291 HydrophobicContact CD2-CD1 3.9Å; L273-L291 HydrophobicContact CG-CD1 4.17Å; H277-L291 HydrophobicContact CB-CD2 3.91Å; D288-L291 HydrophobicContact CB-CB 3.87Å; D288-L291 HydrophobicContact CB-CD2 4.43Å; D288-L291 WeakPolarHBondContact OD1-CB 3.46Å; D288-L291 PolarHBondContact OD1-N 3.1Å; D288-L291 WeakPolarHBondContact OD2-CB 3.4Å; L291-L293 VanDerWaalsContact C-N 3.33Å; L291-L293 PolarHBondContact O-N 2.96Å; L291-T294 PolarHBondContact O-N 3.02Å; L291-T295 WeakPolarHBondContact O-CG2 3.4Å; L291-T295 PolarHBondContact O-N 2.98Å
292	L	98.8	Very high	98.4	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.1	-45.2	179.3	-68.1	171.5	0	0	0	111	I142 F225 F274 L278 P287 D288 Y289 E290 T295 I296	I142-L292 HydrophobicContact CD1-CB 4.24Å; I142-L292 HydrophobicContact CG2-CB 4.4Å; F225-L292 HydrophobicContact CD1-CD1 3.57Å; F225-L292 HydrophobicContact CD2-CD1 4.33Å; F225-L292 HydrophobicContact CE1-CD1 3.56Å; F225-L292 HydrophobicContact CE2-CD1 4.31Å; F225-L292 HydrophobicContact CG-CD1 3.98Å; F225-L292 HydrophobicContact CZ-CD1 3.96Å; F274-L292 HydrophobicContact CB-CD2 4.44Å; F274-L292 HydrophobicContact CD1-CD2 3.89Å; F274-L292 HydrophobicContact CD2-CB 4.43Å; F274-L292 HydrophobicContact CD2-CD2 3.47Å; F274-L292 VanDerWaalsContact CD2-CD2 3.47Å; F274-L292 HydrophobicContact CE1-CD2 3.96Å; F274-L292 HydrophobicContact CE2-CB 4.18Å; F274-L292 HydrophobicContact CE2-CD2 3.55Å; F274-L292 HydrophobicContact CE2-CG 4.38Å; F274-L292 HydrophobicContact CG-CD2 3.65Å; F274-L292 HydrophobicContact CZ-CD2 3.79Å; L278-L292 HydrophobicContact CD2-CD2 4.29Å; P287-L292 HydrophobicContact CB-CD1 4.32Å; D288-L292 VanDerWaalsContact O-CG 3.29Å; D288-L292 WeakPolarHBondContact O-CG 3.4Å; D288-L292 PolarHBondContact O-N 3.46Å; Y289-L292 PolarHBondContact O-N 2.72Å; E290-L292 PolarHBondContact O-N 3.24Å; L292-T295 PolarHBondContact O-N 3.37Å; L292-T295 PolarHBondContact O-OG1 2.63Å; L292-I296 PolarHBondContact O-N 3.08Å
293	L	98.6	Very high	98.4	Very high	25 Å²	25	50 Å²	50	13%	0.131	25%	0.251	C	S	.	.	H	α-helix	trans	-65.4	-42.4	177.2	-173.3	61.4	0	0	0	112	A139 I142 V143 Y289 E290 L291 T295 I296 H297	A139-L293 HydrophobicContact CB-CD1 3.8Å; I142-L293 HydrophobicContact CG2-CB 4.42Å; V143-L293 HydrophobicContact CG2-CD2 4.46Å; Y289-L293 WeakPolarHBondContact O-CB 3.5Å; Y289-L293 PolarHBondContact O-N 2.72Å; E290-L293 PolarHBondContact O-N 2.79Å; L291-L293 VanDerWaalsContact C-N 3.33Å; L291-L293 PolarHBondContact O-N 2.96Å; L293-T295 VanDerWaalsContact C-N 3.27Å; L293-T295 PolarHBondContact O-N 2.97Å; L293-I296 WeakPolarHBondContact O-CB 3.4Å; L293-I296 PolarHBondContact O-N 3.5Å; L293-H297 VanDerWaalsContact CG-CE1 3.46Å; L293-H297 WeakPolarHBondContact CG-CE1 3.25Å; L293-H297 PolarHBondContact O-N 3Å
294	T	98.4	Very high	98.4	Very high	58 Å²	58	55.3 Å²	55.3	36%	0.356	28%	0.281	S	S	.	.	H	α-helix	trans	-59.8	-36.9	176	-66.6	0	0	0	0	111.7	E290 L291 I296 H297 S298	E290-T294 VanDerWaalsContact O-CB 3.23Å; E290-T294 WeakPolarHBondContact O-CB 3.47Å; E290-T294 PolarHBondContact O-N 3.24Å; E290-T294 PolarHBondContact O-OG1 3.33Å; L291-T294 PolarHBondContact O-N 3.02Å; T294-I296 VanDerWaalsContact C-N 3.29Å; T294-I296 PolarHBondContact O-N 2.92Å; T294-H297 PolarHBondContact O-N 2.99Å; T294-S298 VanDerWaalsContact O-CB 3.26Å; T294-S298 WeakPolarHBondContact O-CB 3.15Å; T294-S298 PolarHBondContact O-N 3.32Å; T294-S298 PolarHBondContact O-OG 3.36Å
295	T	98.3	Very high	98.5	Very high	4 Å²	4	52 Å²	52	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-61.5	-39.2	175.1	71.7	0	0	0	0	112	E270 L273 L291 L292 L293 A299	E270-T295 VanDerWaalsContact CB-O 3.3Å; E270-T295 WeakPolarHBondContact CB-O 3.48Å; L273-T295 HydrophobicContact CB-CG2 4.07Å; L273-T295 HydrophobicContact CD2-CG2 3.89Å; L273-T295 HydrophobicContact CG-CG2 3.89Å; L291-T295 WeakPolarHBondContact O-CG2 3.4Å; L291-T295 PolarHBondContact O-N 2.98Å; L292-T295 PolarHBondContact O-N 3.37Å; L292-T295 PolarHBondContact O-OG1 2.63Å; L293-T295 VanDerWaalsContact C-N 3.27Å; L293-T295 PolarHBondContact O-N 2.97Å; T295-A299 PolarHBondContact O-N 3.35Å; T295-A299 VanDerWaalsContact O-N 3.14Å
296	I	98.7	Very high	98.4	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-71.1	-45.8	178.3	-57.1	-53.6	0	0	0	110.6	L135 T138 A139 I142 F271 L292 L293 T294 S298 A299 M300	L135-I296 HydrophobicContact CB-CG2 4.04Å; L135-I296 HydrophobicContact CD2-CD1 4.25Å; L135-I296 HydrophobicContact CD2-CG2 4.17Å; L135-I296 WeakPolarHBondContact O-CG2 3.26Å; T138-I296 HydrophobicContact CG2-CD1 3.79Å; T138-I296 HydrophobicContact CG2-CG1 4.04Å; A139-I296 HydrophobicContact CB-CG2 4.04Å; I142-I296 HydrophobicContact CD1-CG1 3.64Å; F271-I296 HydrophobicContact CE1-CD1 4.4Å; F271-I296 HydrophobicContact CE2-CD1 4.19Å; F271-I296 HydrophobicContact CZ-CD1 3.74Å; L292-I296 PolarHBondContact O-N 3.08Å; L293-I296 WeakPolarHBondContact O-CB 3.4Å; L293-I296 PolarHBondContact O-N 3.5Å; T294-I296 VanDerWaalsContact C-N 3.29Å; T294-I296 PolarHBondContact O-N 2.92Å; I296-S298 VanDerWaalsContact C-N 3.32Å; I296-S298 PolarHBondContact O-N 3.31Å; I296-A299 WeakPolarHBondContact O-CB 3.34Å; I296-A299 PolarHBondContact O-N 2.72Å; I296-M300 HydrophobicContact CG2-SD 4.17Å; I296-M300 WeakPolarHBondContact O-CG 3.32Å; I296-M300 PolarHBondContact O-N 3Å
297	H	98.6	Very high	98.2	Very high	78 Å²	78	52.2 Å²	52.2	36%	0.361	28%	0.28	S	S	.	.	H	α-helix	trans	-63.5	-36.5	177.3	-67.4	163.7	0	0	0	112.6	L293 T294 M300 S301	L293-H297 VanDerWaalsContact CG-CE1 3.46Å; L293-H297 WeakPolarHBondContact CG-CE1 3.25Å; L293-H297 PolarHBondContact O-N 3Å; T294-H297 PolarHBondContact O-N 2.99Å; H297-M300 PolarHBondContact O-N 2.9Å; H297-S301 WeakPolarHBondContact O-CB 3.46Å; H297-S301 PolarHBondContact O-N 3.21Å
298	S	98.6	Very high	97.9	Very high	55 Å²	55	59 Å²	59	39%	0.385	32%	0.316	S	S	.	.	H	α-helix	trans	-64.1	-43.3	174.8	-62.1	0	0	0	0	111.5	T294 I296 M300 S301 R302	T294-S298 VanDerWaalsContact O-CB 3.26Å; T294-S298 WeakPolarHBondContact O-CB 3.15Å; T294-S298 PolarHBondContact O-N 3.32Å; T294-S298 PolarHBondContact O-OG 3.36Å; I296-S298 VanDerWaalsContact C-N 3.32Å; I296-S298 PolarHBondContact O-N 3.31Å; S298-M300 VanDerWaalsContact C-N 3.33Å; S298-M300 PolarHBondContact O-N 3.5Å; S298-S301 PolarHBondContact O-N 3.39Å; S298-R302 WeakPolarHBondContact O-CB 3.46Å; S298-R302 PolarHBondContact O-N 3.07Å
299	A	98.6	Very high	97.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-42.1	174.5	0	0	0	0	0	111.6	L135 P268 E270 T295 I296 L303	L135-A299 HydrophobicContact CD1-CB 3.95Å; L135-A299 HydrophobicContact CD2-CB 4.09Å; P268-A299 HydrophobicContact CB-CB 3.96Å; E270-A299 HydrophobicContact CB-CB 4.18Å; E270-A299 HydrophobicContact CG-CB 3.98Å; E270-A299 WeakPolarHBondContact OE2-CB 3.47Å; T295-A299 PolarHBondContact O-N 3.35Å; T295-A299 VanDerWaalsContact O-N 3.14Å; I296-A299 WeakPolarHBondContact O-CB 3.34Å; I296-A299 PolarHBondContact O-N 2.72Å; A299-L303 VanDerWaalsContact O-CB 3.27Å; A299-L303 WeakPolarHBondContact O-CB 3.21Å; A299-L303 WeakPolarHBondContact O-CD1 3.47Å; A299-L303 WeakPolarHBondContact O-CG 3.5Å; A299-L303 PolarHBondContact O-N 3.06Å; A299-L303 VanDerWaalsContact O-N 3.07Å
300	M	98.6	Very high	97.5	Very high	9 Å²	9	61.2 Å²	61.2	4%	0.044	33%	0.333	C	S	.	.	H	α-helix	trans	-62.4	-46.8	176.4	-70.4	170	55.5	0	0	111.9	L135 R136 I296 H297 S298 L303 N304 I305 L307	L135-M300 HydrophobicContact CB-CG 3.78Å; L135-M300 HydrophobicContact CB-SD 4.29Å; L135-M300 HydrophobicContact CD1-CG 4.05Å; R136-M300 HydrophobicContact CG-CE 3.6Å; R136-M300 HydrophobicContact CG-SD 4.02Å; I296-M300 HydrophobicContact CG2-SD 4.17Å; I296-M300 WeakPolarHBondContact O-CG 3.32Å; I296-M300 PolarHBondContact O-N 3Å; H297-M300 PolarHBondContact O-N 2.9Å; S298-M300 VanDerWaalsContact C-N 3.33Å; S298-M300 PolarHBondContact O-N 3.5Å; M300-L303 CarbonylContact O-C 3.59Å; M300-L303 PolarHBondContact O-N 3.2Å; M300-N304 PolarHBondContact O-N 2.71Å; M300-I305 HydrophobicContact CB-CB 4.07Å; M300-I305 HydrophobicContact CB-CG2 4.34Å; M300-I305 HydrophobicContact CE-CG2 4.14Å; M300-I305 HydrophobicContact CG-CB 4.25Å; M300-I305 HydrophobicContact CG-CG2 4.07Å; M300-I305 PolarHBondContact O-N 3.05Å; M300-L307 HydrophobicContact CE-CD2 3.81Å; M300-L307 HydrophobicContact CE-CG 4.41Å
301	S	98.4	Very high	97.4	Very high	90 Å²	90	56.4 Å²	56.4	63%	0.629	31%	0.311	S	S	*	.	H	α-helix	trans	-59	-51.1	177.9	-178.6	0	0	0	0	111.5	H297 S298 L303 N304	H297-S301 WeakPolarHBondContact O-CB 3.46Å; H297-S301 PolarHBondContact O-N 3.21Å; S298-S301 PolarHBondContact O-N 3.39Å; S301-L303 PolarHBondContact O-N 3.15Å; S301-N304 PolarHBondContact O-N 3.19Å; S301-N304 VanDerWaalsContact O-N 3.1Å
302	R	98.4	Very high	97.3	Very high	119 Å²	119	56 Å²	56	45%	0.449	31%	0.308	S	S	.	.	H	α-helix	trans	-61.1	-32.4	179	-176.1	176.6	57.6	69.7	4.1	113.1	T269 E270 S298	T269-R302 PolarHBondContact OG1-NH2 3.09Å; E270-R302 IonicContact OE1-CZ 3.4Å; E270-R302 IonicContact OE1-NE 3.45Å; E270-R302 PolarHBondContact OE1-NE 2.95Å; E270-R302 IonicContact OE1-NH2 3.73Å; E270-R302 PolarHBondContact OE1-NH2 3.18Å; E270-R302 IonicContact OE2-CZ 3.45Å; E270-R302 IonicContact OE2-NE 3.65Å; E270-R302 IonicContact OE2-NH2 3.38Å; E270-R302 PolarHBondContact OE2-NH2 3.21Å; S298-R302 WeakPolarHBondContact O-CB 3.46Å; S298-R302 PolarHBondContact O-N 3.07Å
303	L	98.2	Very high	97	Very high	59 Å²	59	56.4 Å²	56.4	31%	0.309	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	6.2	-179.2	-65	171.6	0	0	0	113.3	L131 L135 P268 A299 M300 S301 I305	L131-L303 HydrophobicContact CB-CD1 4.46Å; L131-L303 HydrophobicContact CD1-CD1 3.95Å; L135-L303 HydrophobicContact CD1-CD1 4.03Å; P268-L303 HydrophobicContact CG-CD1 4.3Å; A299-L303 VanDerWaalsContact O-CB 3.27Å; A299-L303 WeakPolarHBondContact O-CB 3.21Å; A299-L303 WeakPolarHBondContact O-CD1 3.47Å; A299-L303 WeakPolarHBondContact O-CG 3.5Å; A299-L303 PolarHBondContact O-N 3.06Å; A299-L303 VanDerWaalsContact O-N 3.07Å; M300-L303 CarbonylContact O-C 3.59Å; M300-L303 PolarHBondContact O-N 3.2Å; S301-L303 PolarHBondContact O-N 3.15Å; L303-I305 VanDerWaalsContact C-N 3.28Å; L303-I305 HydrophobicContact CB-CD1 3.71Å; L303-I305 HydrophobicContact CB-CG1 4.04Å; L303-I305 HydrophobicContact CD1-CD1 4.05Å; L303-I305 PolarHBondContact O-N 2.95Å
304	N	98.1	Very high	96.6	Very high	150 Å²	150	57.6 Å²	57.6	80%	0.802	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	40.5	-177	-59.2	-54.6	0	0	0	113.7	M300 S301	M300-N304 PolarHBondContact O-N 2.71Å; S301-N304 PolarHBondContact O-N 3.19Å; S301-N304 VanDerWaalsContact O-N 3.1Å
305	I	98.4	Very high	96.1	Very high	24 Å²	24	59.1 Å²	59.1	12%	0.123	33%	0.327	C	S	.	.			trans	-90.6	120.4	178.1	-69.4	163.5	0	0	0	109.2	L131 S132 L135 R136 M300 L303	L131-I305 HydrophobicContact CB-CD1 4.19Å; S132-I305 WeakPolarHBondContact OG-CG2 3.46Å; L135-I305 HydrophobicContact CD1-CD1 3.68Å; R136-I305 HydrophobicContact CG-CG2 4.34Å; M300-I305 HydrophobicContact CB-CB 4.07Å; M300-I305 HydrophobicContact CB-CG2 4.34Å; M300-I305 HydrophobicContact CE-CG2 4.14Å; M300-I305 HydrophobicContact CG-CB 4.25Å; M300-I305 HydrophobicContact CG-CG2 4.07Å; M300-I305 PolarHBondContact O-N 3.05Å; L303-I305 VanDerWaalsContact C-N 3.28Å; L303-I305 HydrophobicContact CB-CD1 3.71Å; L303-I305 HydrophobicContact CB-CG1 4.04Å; L303-I305 HydrophobicContact CD1-CD1 4.05Å; L303-I305 PolarHBondContact O-N 2.95Å
306	A	96.6	Very high	95	Very high	38 Å²	38	61.4 Å²	61.4	31%	0.314	34%	0.338	S	S	.	.			trans	-89.9	150.4	179.3	0	0	0	0	0	112	R136 N308 D309	R136-A306 WeakPolarHBondContact CD-O 3.41Å; A306-N308 VanDerWaalsContact CB-OD1 3.3Å; A306-N308 WeakPolarHBondContact CB-OD1 3.48Å; A306-N308 PolarHBondContact O-N 3.07Å; A306-D309 WeakPolarHBondContact CB-OD1 3.37Å; A306-D309 PolarHBondContact N-OD2 3.07Å; A306-D309 VanDerWaalsContact N-OD2 3.13Å; A306-D309 WeakPolarHBondContact O-CB 3.44Å; A306-D309 PolarHBondContact O-N 2.9Å
307	L	93.7	Very high	92.9	Very high	136 Å²	136	66.1 Å²	66.1	71%	0.712	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-30	179.5	-75.1	170.4	0	0	0	113.1	M300	M300-L307 HydrophobicContact CE-CD2 3.81Å; M300-L307 HydrophobicContact CE-CG 4.41Å
308	N	93.2	Very high	90.2	Very high	143 Å²	143	68.6 Å²	68.6	77%	0.765	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	6.3	-179.9	66.2	-28.5	0	0	0	113.7	A306	A306-N308 VanDerWaalsContact CB-OD1 3.3Å; A306-N308 WeakPolarHBondContact CB-OD1 3.48Å; A306-N308 PolarHBondContact O-N 3.07Å
309	D	94.8	Very high	87.3	Confident	49 Å²	49	72.4 Å²	72.4	26%	0.262	41%	0.407	S	S	.	.	S	Bend	trans	-53	138.7	170.5	-76.7	-11.9	0	0	0	109.7	S132 R136 A306 Y311	S132-D309 WeakPolarHBondContact OG-CB 3.26Å; S132-D309 PolarHBondContact OG-OD2 3.26Å; R136-D309 PolarHBondContact NH1-O 2.98Å; R136-D309 PolarHBondContact NH2-O 3.46Å; A306-D309 WeakPolarHBondContact CB-OD1 3.37Å; A306-D309 PolarHBondContact N-OD2 3.07Å; A306-D309 VanDerWaalsContact N-OD2 3.13Å; A306-D309 WeakPolarHBondContact O-CB 3.44Å; A306-D309 PolarHBondContact O-N 2.9Å; D309-Y311 PolarHBondContact O-N 3.45Å
310	P	94.3	Very high	84.1	Confident	83 Å²	83	85 Å²	85	54%	0.539	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-59.2	137.4	173.3	26.1	-33.5	0	0	0	109.6	R136	R136-P310 PolarHBondContact NH2-O 3.49Å
311	Y	95.7	Very high	83.4	Confident	19 Å²	19	88.9 Å²	88.9	8%	0.075	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-73.4	150.8	168.4	-70.6	-86.3	0	0	0	110	T133 R136 Q140 N173 D309 W313 E314 C315	T133-Y311 HydrophobicContact CG2-CD1 4.01Å; T133-Y311 WeakPolarHBondContact OG1-CA 3.29Å; R136-Y311 HydrophobicContact CB-CE1 3.78Å; R136-Y311 VanDerWaalsContact NH1-CD2 3.33Å; R136-Y311 VanDerWaalsContact NH1-CE1 3.3Å; Q140-Y311 PolarHBondContact NE2-OH 3.15Å; N173-Y311 HydrophobicContact CB-CD2 3.8Å; N173-Y311 HydrophobicContact CB-CE2 3.52Å; N173-Y311 VanDerWaalsContact CG-CD2 3.44Å; D309-Y311 PolarHBondContact O-N 3.45Å; Y311-W313 VanDerWaalsContact CB-NE1 3.28Å; Y311-W313 AromaticContact CD1-CE2 3.77Å; Y311-W313 AromaticContact CD1-CH2 3.52Å; Y311-W313 HydrophobicContact CD1-CH2 3.52Å; Y311-W313 AromaticContact CD1-CZ2 3.18Å; Y311-W313 HydrophobicContact CD1-CZ2 3.18Å; Y311-W313 HydrophobicContact CD1-CZ3 4.33Å; Y311-W313 HydrophobicContact CD2-CZ2 4.08Å; Y311-W313 AromaticContact CE1-CH2 3.9Å; Y311-W313 HydrophobicContact CE1-CH2 3.9Å; Y311-W313 AromaticContact CE1-CZ2 3.65Å; Y311-W313 HydrophobicContact CE1-CZ2 3.65Å; Y311-W313 HydrophobicContact CE2-CZ2 4.48Å; Y311-W313 HydrophobicContact CG-CD2 4.4Å; Y311-W313 AromaticContact CG-CE2 3.53Å; Y311-W313 HydrophobicContact CG-CH2 4.18Å; Y311-W313 AromaticContact CG-CZ2 3.4Å; Y311-W313 HydrophobicContact CG-CZ2 3.4Å; Y311-W313 VanDerWaalsContact CG-CZ2 3.4Å; Y311-W313 AromaticContact CG-NE1 3.66Å; Y311-W313 PolarHBondContact O-N 2.87Å; Y311-W313 VanDerWaalsContact O-N 3.07Å; Y311-E314 WeakPolarHBondContact CD2-OE2 3.42Å; Y311-E314 PolarHBondContact N-OE2 2.96Å; Y311-E314 WeakPolarHBondContact O-CB 3.5Å; Y311-E314 PolarHBondContact O-N 3.25Å; Y311-C315 PolarHBondContact O-N 2.85Å
312	D	96.2	Very high	82.6	Confident	35 Å²	35	88.8 Å²	88.8	19%	0.187	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.9	-179	-52.5	-18.2	0	0	0	111.4	M124 F129 S130 T133 E314 C315	M124-D312 HydrophobicContact SD-CB 3.57Å; M124-D312 VanDerWaalsContact SD-CB 3.57Å; F129-D312 WeakPolarHBondContact CA-OD2 3.46Å; F129-D312 VanDerWaalsContact CB-OD2 3.28Å; F129-D312 WeakPolarHBondContact CB-OD2 3.13Å; F129-D312 HydrophobicContact CD1-CB 4.09Å; F129-D312 WeakPolarHBondContact CD1-OD2 3.42Å; S130-D312 WeakPolarHBondContact CB-OD1 3.44Å; S130-D312 PolarHBondContact N-OD2 2.64Å; S130-D312 PolarHBondContact OG-OD1 3.13Å; S130-D312 PolarHBondContact OG-OD2 2.93Å; T133-D312 WeakPolarHBondContact CB-OD2 3.11Å; T133-D312 HydrophobicContact CG2-CB 4.49Å; T133-D312 PolarHBondContact OG1-N 2.93Å; T133-D312 PolarHBondContact OG1-OD1 3.44Å; T133-D312 PolarHBondContact OG1-OD2 2.81Å; D312-E314 VanDerWaalsContact C-N 3.28Å; D312-E314 PolarHBondContact O-N 2.9Å; D312-C315 PolarHBondContact O-N 2.76Å
313	W	92.6	Very high	81.7	Confident	10 Å²	10	87.1 Å²	87.1	4%	0.038	48%	0.478	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-10.2	179.2	56.9	64.3	0	0	0	115.2	I117 K120 F129 T133 A137 L165 N173 Y311 M316	I117-W313 HydrophobicContact CG2-CZ3 4.22Å; K120-W313 HydrophobicContact CB-CB 4.14Å; K120-W313 HydrophobicContact CB-CE3 4.46Å; K120-W313 HydrophobicContact CD-CB 3.7Å; K120-W313 HydrophobicContact CG-CB 3.99Å; K120-W313 HydrophobicContact CG-CG 4.49Å; K120-W313 PolarHBondContact NZ-O 3.29Å; F129-W313 HydrophobicContact CD1-CE3 4.3Å; F129-W313 HydrophobicContact CD2-CZ3 4.46Å; F129-W313 AromaticContact CE1-CE3 3.64Å; F129-W313 HydrophobicContact CE1-CE3 3.64Å; F129-W313 HydrophobicContact CE1-CZ3 4.11Å; F129-W313 HydrophobicContact CE2-CE3 4.29Å; F129-W313 AromaticContact CE2-CZ3 3.99Å; F129-W313 HydrophobicContact CE2-CZ3 3.99Å; F129-W313 AromaticContact CZ-CE3 3.62Å; F129-W313 HydrophobicContact CZ-CE3 3.62Å; F129-W313 AromaticContact CZ-CZ3 3.79Å; F129-W313 HydrophobicContact CZ-CZ3 3.79Å; T133-W313 HydrophobicContact CG2-CE3 3.78Å; T133-W313 HydrophobicContact CG2-CH2 3.87Å; T133-W313 HydrophobicContact CG2-CZ3 3.33Å; A137-W313 HydrophobicContact CB-CH2 4.04Å; L165-W313 HydrophobicContact CD1-CD2 4.08Å; L165-W313 HydrophobicContact CD1-CG 4.03Å; L165-W313 HydrophobicContact CD1-CZ2 4.47Å; L165-W313 HydrophobicContact CD2-CZ2 3.85Å; N173-W313 PolarHBondContact OD1-NE1 3.39Å; Y311-W313 VanDerWaalsContact CB-NE1 3.28Å; Y311-W313 AromaticContact CD1-CE2 3.77Å; Y311-W313 AromaticContact CD1-CH2 3.52Å; Y311-W313 HydrophobicContact CD1-CH2 3.52Å; Y311-W313 AromaticContact CD1-CZ2 3.18Å; Y311-W313 HydrophobicContact CD1-CZ2 3.18Å; Y311-W313 HydrophobicContact CD1-CZ3 4.33Å; Y311-W313 HydrophobicContact CD2-CZ2 4.08Å; Y311-W313 AromaticContact CE1-CH2 3.9Å; Y311-W313 HydrophobicContact CE1-CH2 3.9Å; Y311-W313 AromaticContact CE1-CZ2 3.65Å; Y311-W313 HydrophobicContact CE1-CZ2 3.65Å; Y311-W313 HydrophobicContact CE2-CZ2 4.48Å; Y311-W313 HydrophobicContact CG-CD2 4.4Å; Y311-W313 AromaticContact CG-CE2 3.53Å; Y311-W313 HydrophobicContact CG-CH2 4.18Å; Y311-W313 AromaticContact CG-CZ2 3.4Å; Y311-W313 HydrophobicContact CG-CZ2 3.4Å; Y311-W313 VanDerWaalsContact CG-CZ2 3.4Å; Y311-W313 AromaticContact CG-NE1 3.66Å; Y311-W313 PolarHBondContact O-N 2.87Å; Y311-W313 VanDerWaalsContact O-N 3.07Å; W313-M316 HydrophobicContact CB-SD 3.98Å
314	E	91	Very high	80.8	Confident	49 Å²	49	88.8 Å²	88.8	23%	0.229	49%	0.488	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-32.4	169.8	-65.6	-178.9	99.8	0	0	110.9	R172 N173 Y311 D312 M316	R172-E314 IonicContact CZ-OE1 3.89Å; R172-E314 VanDerWaalsContact CZ-OE1 3.31Å; R172-E314 IonicContact NE-OE1 3.55Å; R172-E314 PolarHBondContact NE-OE1 2.96Å; R172-E314 IonicContact NH2-OE1 2.93Å; R172-E314 PolarHBondContact NH2-OE1 3.09Å; N173-E314 PolarHBondContact ND2-OE1 2.91Å; N173-E314 PolarHBondContact ND2-OE2 3.35Å; Y311-E314 WeakPolarHBondContact CD2-OE2 3.42Å; Y311-E314 PolarHBondContact N-OE2 2.96Å; Y311-E314 WeakPolarHBondContact O-CB 3.5Å; Y311-E314 PolarHBondContact O-N 3.25Å; D312-E314 VanDerWaalsContact C-N 3.28Å; D312-E314 PolarHBondContact O-N 2.9Å; E314-M316 PolarHBondContact O-N 3.49Å
315	C	86.2	Confident	79.7	Confident	90 Å²	90	84.9 Å²	84.9	61%	0.608	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-2.4	178.9	-58.8	0	0	0	0	113.7	Y311 D312 S317	Y311-C315 PolarHBondContact O-N 2.85Å; D312-C315 PolarHBondContact O-N 2.76Å; C315-S317 PolarHBondContact O-N 3Å
316	M	75.6	Confident	78.4	Confident	53 Å²	53	89 Å²	89	26%	0.261	49%	0.491	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	0.5	-177.8	-69.7	170.6	42.1	0	0	115.1	K120 Q123 M124 W313 E314 N318	K120-M316 HydrophobicContact CD-CE 4.18Å; K120-M316 HydrophobicContact CD-SD 3.89Å; Q123-M316 HydrophobicContact CB-CE 4.1Å; Q123-M316 HydrophobicContact CB-SD 4.47Å; Q123-M316 HydrophobicContact CG-CE 4.47Å; M124-M316 HydrophobicContact CE-CG 3.39Å; M124-M316 HydrophobicContact CE-SD 3.2Å; M124-M316 WeakPolarHBondContact CE-SD 3.47Å; W313-M316 HydrophobicContact CB-SD 3.98Å; E314-M316 PolarHBondContact O-N 3.49Å; M316-N318 PolarHBondContact O-N 3.11Å
317	S	56.2	Low	77.1	Confident	100 Å²	100	92.6 Å²	92.6	70%	0.699	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	2	-165.7	47.4	0	0	0	0	116.6	C315	C315-S317 PolarHBondContact O-N 3Å
318	N	40.6	Very low	75.8	Confident	130 Å²	130	89.3 Å²	89.3	70%	0.695	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.3	36.7	-177	-75.3	-20.6	0	0	0	115.6	M316	M316-N318 PolarHBondContact O-N 3.11Å
319	V	36.9	Very low	74.4	Confident	134 Å²	134	84.8 Å²	84.8	81%	0.812	46%	0.464	S	S	*	.			trans	-112.5	95.3	165.2	-164.6	0	0	0	0	108.5
320	F	32.8	Very low	72.5	Confident	266 Å²	266	88.1 Å²	88.1	100%	1.167	48%	0.483	S	S	*	.			trans	-54.5	0	174	-64.2	-87	0	0	0	112.3

Retrieved 320 of 320 residues in 851.8 ms (Link to these results)

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