A0A077YWN0_TRITR Loading...

Protein disulfide-isomerase A6 homolog

AlphaFold DB , UniProt , Accession A0A077YWN0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 431 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	48	Very low	45.5	Very low	244 Å²	244	159.5 Å²	159.5	100%	1.202	84%	0.844	S	S	*	*				0	114	0	-153.6	169.6	-172.9	0	0	106.8
2	V	41.8	Very low	45.1	Very low	130 Å²	130	158.7 Å²	158.7	79%	0.788	84%	0.839	S	S	*	*			trans	-80.4	128.5	-167.3	176.4	0	0	0	0	109.9	R4	V2-R4 HydrophobicContact CG1-CG 4.34Å
3	V	47	Very low	44.7	Very low	136 Å²	136	154.9 Å²	154.9	82%	0.824	83%	0.834	S	S	*	*			trans	-126.2	119.2	163.8	-177.6	0	0	0	0	108.2
4	R	44.2	Very low	44.6	Very low	226 Å²	226	151.4 Å²	151.4	85%	0.853	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-79.2	133.9	-170.7	-73.3	174.5	160	170.5	-6.6	111.4	V2	V2-R4 HydrophobicContact CG1-CG 4.34Å
5	F	46.3	Very low	45.4	Very low	211 Å²	211	147.7 Å²	147.7	93%	0.925	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-70.7	125.4	162.6	-91.7	-96.3	0	0	0	109.8
6	S	48.1	Very low	46.7	Very low	120 Å²	120	139.9 Å²	139.9	84%	0.839	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-84.8	118.5	167	-73.4	0	0	0	0	109.2
7	A	47.2	Very low	48.6	Very low	92 Å²	92	134.4 Å²	134.4	76%	0.76	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-84.8	122	170.9	0	0	0	0	0	109.6	I9	A7-I9 PolarHBondContact O-N 3.47Å
8	F	46.3	Very low	50.6	Low	201 Å²	201	128.2 Å²	128.2	88%	0.882	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-72.3	117.4	168.4	-118.1	-99.1	0	0	0	108.7
9	I	46.2	Very low	51.3	Low	154 Å²	154	125.4 Å²	125.4	79%	0.79	69%	0.692	S	S	*	*			trans	-85.8	109.3	171.7	-63.7	176.1	0	0	0	107.5	A7 S11	A7-I9 PolarHBondContact O-N 3.47Å; I9-S11 PolarHBondContact O-N 3.08Å
10	I	46.7	Very low	52.2	Low	138 Å²	138	122.9 Å²	122.9	71%	0.708	70%	0.696	S	S	*	*			trans	-81.5	108.1	167.9	-61.9	173.3	0	0	0	107.2	L12	I10-L12 HydrophobicContact CG2-CD1 4.34Å; I10-L12 PolarHBondContact O-N 3.24Å
11	S	38.6	Very low	53.2	Low	102 Å²	102	119 Å²	119	71%	0.713	67%	0.674	S	S	*	*			trans	-74.4	103.5	171.1	46	0	0	0	0	110.1	I9 S13	I9-S11 PolarHBondContact O-N 3.08Å; S11-S13 PolarHBondContact O-N 3.39Å
12	L	40.8	Very low	54.6	Low	150 Å²	150	114.7 Å²	114.7	79%	0.785	66%	0.656	S	S	*	*			trans	-74.8	110.2	166.6	-92.1	96.6	0	0	0	109.9	I10 T14	I10-L12 HydrophobicContact CG2-CD1 4.34Å; I10-L12 PolarHBondContact O-N 3.24Å; L12-T14 PolarHBondContact O-N 3.45Å
13	S	39.9	Very low	57	Low	110 Å²	110	110.1 Å²	110.1	77%	0.769	63%	0.627	S	S	*	*			trans	-70.7	113.1	168.4	-44.9	0	0	0	0	109.3	S11 S15	S11-S13 PolarHBondContact O-N 3.39Å; S13-S15 PolarHBondContact O-N 3.28Å
14	T	43.9	Very low	59.4	Low	106 Å²	106	104.1 Å²	104.1	65%	0.65	59%	0.59	S	S	*	*			trans	-82.7	95.9	177.2	48.5	0	0	0	0	110.4	L12 T16	L12-T14 PolarHBondContact O-N 3.45Å; T14-T16 PolarHBondContact O-N 2.84Å
15	S	55.8	Low	61.8	Low	95 Å²	95	95.3 Å²	95.3	66%	0.664	56%	0.561	S	S	*	*			trans	-64.1	125.5	170.3	-44.6	0	0	0	0	109.5	S13	S13-S15 PolarHBondContact O-N 3.28Å
16	T	66	Low	64.1	Low	24 Å²	24	89.9 Å²	89.9	15%	0.147	54%	0.539	C	S	.	.			trans	-69.6	149.3	175.3	53.9	0	0	0	0	109.9	T14 Y18 S19	T14-T16 PolarHBondContact O-N 2.84Å; T16-Y18 PolarHBondContact O-N 2.87Å; T16-S19 WeakPolarHBondContact O-CB 3.46Å; T16-S19 PolarHBondContact O-N 3.03Å; T16-S19 PolarHBondContact O-OG 3.45Å; T16-S19 WeakPolarHBondContact OG1-CB 3.43Å
17	L	80.3	Confident	66.4	Low	46 Å²	46	84.1 Å²	84.1	24%	0.241	50%	0.499	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-31.1	-172.9	-174.6	62.6	0	0	0	113.5	Y48 C55 Q56 A59	L17-Y48 HydrophobicContact CB-CD2 3.97Å; L17-Y48 HydrophobicContact CB-CE2 3.42Å; L17-Y48 VanDerWaalsContact CB-CE2 3.42Å; L17-Y48 HydrophobicContact CD2-CD2 3.63Å; L17-Y48 HydrophobicContact CD2-CE2 3.99Å; L17-Y48 HydrophobicContact CD2-CG 3.98Å; L17-Y48 HydrophobicContact CG-CD2 4.47Å; L17-Y48 HydrophobicContact CG-CE2 4.36Å; L17-C55 HydrophobicContact CD2-CB 4.21Å; L17-Q56 HydrophobicContact CD1-CG 4.08Å; L17-A59 HydrophobicContact CD1-CB 4.17Å; L17-A59 HydrophobicContact CD2-CB 4.15Å; L17-A59 HydrophobicContact CG-CB 4.06Å
18	Y	83.2	Confident	68.7	Low	23 Å²	23	80.8 Å²	80.8	9%	0.09	47%	0.469	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	11	179.5	-61.9	-66.5	0	0	0	114.5	T16 G20 N21 V24 E46 Y48 A59 F62	T16-Y18 PolarHBondContact O-N 2.87Å; Y18-G20 PolarHBondContact O-N 3.41Å; Y18-N21 PolarHBondContact O-N 2.88Å; Y18-V24 HydrophobicContact CD1-CB 4.16Å; Y18-V24 HydrophobicContact CD1-CG1 4.09Å; Y18-V24 HydrophobicContact CD1-CG2 4.05Å; Y18-V24 HydrophobicContact CD2-CG1 3.81Å; Y18-V24 HydrophobicContact CE1-CG2 4.35Å; Y18-V24 HydrophobicContact CE2-CG1 4.28Å; Y18-V24 HydrophobicContact CG-CB 4.1Å; Y18-V24 HydrophobicContact CG-CG1 3.71Å; Y18-V24 HydrophobicContact CG-CG2 4.47Å; Y18-E46 WeakPolarHBondContact CE2-OE2 3.46Å; Y18-E46 PolarHBondContact OH-OE2 3.22Å; Y18-Y48 HydrophobicContact CD2-CD1 4.47Å; Y18-Y48 AromaticContact CD2-CE1 3.82Å; Y18-Y48 HydrophobicContact CD2-CE1 3.82Å; Y18-Y48 AromaticContact CE2-CD1 3.98Å; Y18-Y48 HydrophobicContact CE2-CD1 3.98Å; Y18-Y48 AromaticContact CE2-CE1 3.8Å; Y18-Y48 HydrophobicContact CE2-CE1 3.8Å; Y18-A59 HydrophobicContact CE1-CB 3.85Å; Y18-A59 WeakPolarHBondContact OH-CA 3.38Å; Y18-F62 HydrophobicContact CE1-CD1 4.08Å; Y18-F62 HydrophobicContact CE2-CD1 4.25Å; Y18-F62 AromaticContact CZ-CD1 3.65Å; Y18-F62 WeakPolarHBondContact OH-CD1 3.27Å
19	S	65.4	Low	70.8	Confident	75 Å²	75	73.8 Å²	73.8	52%	0.524	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	103.5	177.7	62.4	0	0	0	0	110.3	T16	T16-S19 WeakPolarHBondContact O-CB 3.46Å; T16-S19 PolarHBondContact O-N 3.03Å; T16-S19 PolarHBondContact O-OG 3.45Å; T16-S19 WeakPolarHBondContact OG1-CB 3.43Å
20	G	67.4	Low	73	Confident	75 Å²	75	71.7 Å²	71.7	77%	0.773	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	120.2	-11.9	-177.4	0	0	0	0	0	114.9	Y18	Y18-G20 PolarHBondContact O-N 3.41Å
21	N	73.3	Confident	75.4	Confident	41 Å²	41	66.4 Å²	66.4	22%	0.219	42%	0.421	C	S	.	.			trans	-95.8	103.7	172.9	-171.1	-17.4	0	0	0	111.1	Y18 D23 V24 A63	Y18-N21 PolarHBondContact O-N 2.88Å; N21-D23 PolarHBondContact O-N 3.43Å; N21-D23 WeakPolarHBondContact OD1-CB 3.47Å; N21-D23 PolarHBondContact OD1-N 2.87Å; N21-V24 PolarHBondContact O-N 2.96Å; N21-A63 WeakPolarHBondContact ND2-CA 3.25Å; N21-A63 WeakPolarHBondContact ND2-CB 3.29Å
22	N	79.3	Confident	78	Confident	154 Å²	154	62.1 Å²	62.1	82%	0.824	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-10.5	-179.9	-67.1	-17.5	0	0	0	114.1
23	D	92.1	Very high	80.4	Confident	34 Å²	34	59.9 Å²	59.9	18%	0.182	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-17.3	179.7	-60.1	-39.9	0	0	0	112.4	N21 A66 K70	N21-D23 PolarHBondContact O-N 3.43Å; N21-D23 WeakPolarHBondContact OD1-CB 3.47Å; N21-D23 PolarHBondContact OD1-N 2.87Å; D23-A66 HydrophobicContact CB-CB 4Å; D23-K70 WeakPolarHBondContact OD1-CD 3.4Å; D23-K70 WeakPolarHBondContact OD1-CE 3.34Å; D23-K70 IonicContact OD1-NZ 2.89Å; D23-K70 PolarHBondContact OD1-NZ 3.15Å
24	V	96	Very high	83	Confident	9 Å²	9	58.1 Å²	58.1	6%	0.055	36%	0.363	C	S	.	.	S	Bend	trans	-101	107.9	172.2	-178.4	0	0	0	0	109.2	Y18 N21 E26 F62 A66	Y18-V24 HydrophobicContact CD1-CB 4.16Å; Y18-V24 HydrophobicContact CD1-CG1 4.09Å; Y18-V24 HydrophobicContact CD1-CG2 4.05Å; Y18-V24 HydrophobicContact CD2-CG1 3.81Å; Y18-V24 HydrophobicContact CE1-CG2 4.35Å; Y18-V24 HydrophobicContact CE2-CG1 4.28Å; Y18-V24 HydrophobicContact CG-CB 4.1Å; Y18-V24 HydrophobicContact CG-CG1 3.71Å; Y18-V24 HydrophobicContact CG-CG2 4.47Å; N21-V24 PolarHBondContact O-N 2.96Å; V24-E26 PolarHBondContact O-N 3.08Å; V24-F62 HydrophobicContact CG1-CD1 4.38Å; V24-F62 HydrophobicContact CG1-CE1 4.03Å; V24-F62 HydrophobicContact CG2-CD1 4.2Å; V24-F62 HydrophobicContact CG2-CE1 4.43Å; V24-A66 HydrophobicContact CG2-CB 3.56Å
25	V	95.2	Very high	85.5	Confident	41 Å²	41	56.9 Å²	56.9	25%	0.248	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	125.2	-178.3	-177.9	0	0	0	0	110.2	L27 K35 W43 V75 G76 G77	V25-L27 HydrophobicContact CG1-CD2 4.39Å; V25-L27 PolarHBondContact O-N 3.28Å; V25-K35 HydrophobicContact CG1-CD 3.99Å; V25-K35 VanDerWaalsContact CG1-NZ 3.25Å; V25-W43 HydrophobicContact CB-CH2 4.15Å; V25-W43 HydrophobicContact CB-CZ3 4.1Å; V25-W43 HydrophobicContact CG1-CH2 4.16Å; V25-W43 HydrophobicContact CG1-CZ3 4.46Å; V25-W43 HydrophobicContact CG2-CH2 4.24Å; V25-W43 HydrophobicContact CG2-CZ3 4.44Å; V25-V75 PolarHBondContact N-O 2.84Å; V25-G76 CarbonylContact O-C 3.52Å; V25-G76 WeakPolarHBondContact O-CA 3.4Å; V25-G77 PolarHBondContact O-N 3.11Å
26	E	94.6	Very high	87.4	Confident	97 Å²	97	52.3 Å²	52.3	45%	0.453	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	118.4	170.7	-172.4	174.3	-162.4	0	0	110.3	V24 T28 N31	V24-E26 PolarHBondContact O-N 3.08Å; E26-T28 HydrophobicContact CG-CG2 4.23Å; E26-N31 PolarHBondContact O-ND2 3.35Å; E26-N31 VanDerWaalsContact O-ND2 3.13Å
27	L	96	Very high	88.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	128.4	179.3	-68.9	175.7	0	0	0	109.5	V25 N31 F32 K35 V36 W43 V45 G77 V78	V25-L27 HydrophobicContact CG1-CD2 4.39Å; V25-L27 PolarHBondContact O-N 3.28Å; L27-N31 WeakPolarHBondContact CA-OD1 3.49Å; L27-F32 HydrophobicContact CB-CD2 4.11Å; L27-F32 HydrophobicContact CD1-CD2 4.05Å; L27-F32 HydrophobicContact CD1-CE2 3.97Å; L27-F32 HydrophobicContact CG-CD2 4.47Å; L27-K35 HydrophobicContact CD2-CB 4.01Å; L27-K35 HydrophobicContact CD2-CD 3.92Å; L27-V36 HydrophobicContact CD1-CG2 3.68Å; L27-V36 HydrophobicContact CD2-CG2 3.72Å; L27-V36 HydrophobicContact CG-CG2 4.36Å; L27-W43 HydrophobicContact CD1-CE3 4.17Å; L27-W43 HydrophobicContact CD1-CZ3 4Å; L27-W43 HydrophobicContact CD2-CH2 4.12Å; L27-W43 HydrophobicContact CD2-CZ3 3.88Å; L27-W43 HydrophobicContact CG-CZ3 4.24Å; L27-V45 HydrophobicContact CD1-CB 4.45Å; L27-V45 HydrophobicContact CD1-CG1 3.93Å; L27-V45 HydrophobicContact CD1-CG2 3.74Å; L27-G77 PolarHBondContact N-O 3.08Å; L27-V78 HydrophobicContact CB-CG2 3.57Å; L27-V78 HydrophobicContact CD1-CG2 4.25Å
28	T	94.8	Very high	89.2	Confident	21 Å²	21	55.1 Å²	55.1	13%	0.129	33%	0.33	C	S	.	.			trans	-128.7	164.5	-174.5	67.2	0	0	0	0	109.5	E26 S30 N31 F32 H83	E26-T28 HydrophobicContact CG-CG2 4.23Å; T28-S30 PolarHBondContact O-N 3.13Å; T28-S30 VanDerWaalsContact O-N 3.08Å; T28-S30 PolarHBondContact OG1-OG 3.34Å; T28-S30 VanDerWaalsContact OG1-OG 3.08Å; T28-N31 PolarHBondContact N-OD1 3.47Å; T28-N31 PolarHBondContact O-N 3.43Å; T28-N31 VanDerWaalsContact O-N 3.11Å; T28-N31 PolarHBondContact O-OD1 3.38Å; T28-N31 VanDerWaalsContact OG1-CG 3.3Å; T28-N31 PolarHBondContact OG1-ND2 3.24Å; T28-F32 WeakPolarHBondContact O-CB 3.46Å; T28-F32 PolarHBondContact O-N 3.34Å; T28-H83 WeakPolarHBondContact CB-NE2 3.35Å; T28-H83 WeakPolarHBondContact CG2-NE2 3.46Å
29	A	91.1	Very high	89.6	Confident	54 Å²	54	55.1 Å²	55.1	45%	0.446	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.7	176.9	0	0	0	0	0	113.8	V86	A29-V86 HydrophobicContact CB-CG2 3.97Å
30	S	92.7	Very high	90.8	Very high	111 Å²	111	56.6 Å²	56.6	78%	0.776	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-19.8	-179.6	61.6	0	0	0	0	114.4	T28	T28-S30 PolarHBondContact O-N 3.13Å; T28-S30 VanDerWaalsContact O-N 3.08Å; T28-S30 PolarHBondContact OG1-OG 3.34Å; T28-S30 VanDerWaalsContact OG1-OG 3.08Å
31	N	96.1	Very high	92	Very high	27 Å²	27	55 Å²	55	14%	0.144	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.1	-10.4	-175.2	76.5	20.1	0	0	0	114.1	E26 L27 T28 Q33 S34 K35	E26-N31 PolarHBondContact O-ND2 3.35Å; E26-N31 VanDerWaalsContact O-ND2 3.13Å; L27-N31 WeakPolarHBondContact CA-OD1 3.49Å; T28-N31 PolarHBondContact N-OD1 3.47Å; T28-N31 PolarHBondContact O-N 3.43Å; T28-N31 VanDerWaalsContact O-N 3.11Å; T28-N31 PolarHBondContact O-OD1 3.38Å; T28-N31 VanDerWaalsContact OG1-CG 3.3Å; T28-N31 PolarHBondContact OG1-ND2 3.24Å; N31-Q33 PolarHBondContact O-N 3.22Å; N31-S34 PolarHBondContact O-N 3.14Å; N31-S34 PolarHBondContact O-OG 3.39Å; N31-K35 HydrophobicContact CB-CD 4.18Å; N31-K35 HydrophobicContact CB-CG 4.39Å; N31-K35 VanDerWaalsContact O-CB 3.25Å; N31-K35 WeakPolarHBondContact O-CB 3.28Å; N31-K35 WeakPolarHBondContact O-CG 3.42Å; N31-K35 PolarHBondContact O-N 2.99Å
32	F	94.9	Very high	93.1	Very high	11 Å²	11	53.1 Å²	53.1	5%	0.048	30%	0.301	C	S	.	.	H	α-helix	trans	-61.5	-43.5	-175.6	-166.8	-95.1	0	0	0	112.3	L27 T28 V36 I37 V45 F47 V78 V86 Y90 F101	L27-F32 HydrophobicContact CB-CD2 4.11Å; L27-F32 HydrophobicContact CD1-CD2 4.05Å; L27-F32 HydrophobicContact CD1-CE2 3.97Å; L27-F32 HydrophobicContact CG-CD2 4.47Å; T28-F32 WeakPolarHBondContact O-CB 3.46Å; T28-F32 PolarHBondContact O-N 3.34Å; F32-V36 HydrophobicContact CD1-CB 4.41Å; F32-V36 HydrophobicContact CD2-CB 4.44Å; F32-V36 HydrophobicContact CD2-CG2 3.9Å; F32-V36 HydrophobicContact CE1-CB 4.24Å; F32-V36 HydrophobicContact CE1-CG1 4.32Å; F32-V36 HydrophobicContact CE2-CB 4.27Å; F32-V36 HydrophobicContact CE2-CG1 4.41Å; F32-V36 HydrophobicContact CE2-CG2 3.84Å; F32-V36 HydrophobicContact CG-CG2 4.34Å; F32-V36 HydrophobicContact CZ-CB 4.16Å; F32-V36 HydrophobicContact CZ-CG1 4.02Å; F32-V36 HydrophobicContact CZ-CG2 4.24Å; F32-V36 WeakPolarHBondContact O-CA 3.36Å; F32-V36 VanDerWaalsContact O-CB 3.29Å; F32-V36 WeakPolarHBondContact O-CB 3.38Å; F32-V36 PolarHBondContact O-N 2.96Å; F32-I37 HydrophobicContact CD1-CD1 4.31Å; F32-I37 HydrophobicContact CD1-CG1 3.99Å; F32-I37 HydrophobicContact CE1-CD1 3.82Å; F32-I37 HydrophobicContact CE1-CG1 4.02Å; F32-I37 PolarHBondContact O-N 3.08Å; F32-V45 HydrophobicContact CE2-CG1 4.1Å; F32-V45 HydrophobicContact CE2-CG2 4.34Å; F32-F47 HydrophobicContact CE2-CZ 4.45Å; F32-F47 HydrophobicContact CZ-CZ 4.25Å; F32-V78 HydrophobicContact CD2-CG2 4.14Å; F32-V78 HydrophobicContact CE2-CG2 4.04Å; F32-V86 HydrophobicContact CB-CG1 3.98Å; F32-V86 HydrophobicContact CD1-CG1 3.78Å; F32-V86 HydrophobicContact CD2-CG1 3.32Å; F32-V86 HydrophobicContact CE1-CG1 4.02Å; F32-V86 HydrophobicContact CE2-CG1 3.62Å; F32-V86 HydrophobicContact CG-CG1 3.41Å; F32-V86 VanDerWaalsContact CG-CG1 3.41Å; F32-V86 HydrophobicContact CZ-CG1 3.95Å; F32-Y90 AromaticContact CE1-CE2 3.6Å; F32-Y90 HydrophobicContact CE1-CE2 3.6Å; F32-Y90 HydrophobicContact CZ-CE2 4.09Å; F32-F101 HydrophobicContact CE1-CE1 4.13Å; F32-F101 HydrophobicContact CE1-CZ 4.15Å; F32-F101 AromaticContact CZ-CE1 3.95Å; F32-F101 HydrophobicContact CZ-CE1 3.95Å; F32-F101 HydrophobicContact CZ-CE2 4.05Å; F32-F101 AromaticContact CZ-CZ 3.56Å; F32-F101 HydrophobicContact CZ-CZ 3.56Å
33	Q	91	Very high	94	Very high	103 Å²	103	46.3 Å²	46.3	48%	0.481	26%	0.264	S	S	.	.	I	π-helix	trans	-57.9	-57.6	177.6	-176.3	63.1	34.4	0	0	110.9	N31 K35 I37 D38	N31-Q33 PolarHBondContact O-N 3.22Å; Q33-K35 PolarHBondContact O-N 3.05Å; Q33-I37 CarbonylContact O-C 3.59Å; Q33-I37 WeakPolarHBondContact O-CA 3.14Å; Q33-I37 WeakPolarHBondContact O-CB 3.4Å; Q33-I37 PolarHBondContact O-N 2.89Å; Q33-D38 PolarHBondContact NE2-OD1 2.81Å; Q33-D38 PolarHBondContact O-N 3.08Å
34	S	94.6	Very high	94.3	Very high	74 Å²	74	44.8 Å²	44.8	52%	0.517	26%	0.256	S	S	.	.	I	π-helix	trans	-69.4	-33.5	-175.1	57.3	0	0	0	0	113.7	N31	N31-S34 PolarHBondContact O-N 3.14Å; N31-S34 PolarHBondContact O-OG 3.39Å
35	K	96	Very high	94.3	Very high	79 Å²	79	44.4 Å²	44.4	34%	0.343	25%	0.253	S	S	.	.	I	π-helix	trans	-83.8	-40.2	-179.5	-72.6	-173	173.9	-179.5	0	113.5	V25 L27 N31 Q33 S39 W43	V25-K35 HydrophobicContact CG1-CD 3.99Å; V25-K35 VanDerWaalsContact CG1-NZ 3.25Å; L27-K35 HydrophobicContact CD2-CB 4.01Å; L27-K35 HydrophobicContact CD2-CD 3.92Å; N31-K35 HydrophobicContact CB-CD 4.18Å; N31-K35 HydrophobicContact CB-CG 4.39Å; N31-K35 VanDerWaalsContact O-CB 3.25Å; N31-K35 WeakPolarHBondContact O-CB 3.28Å; N31-K35 WeakPolarHBondContact O-CG 3.42Å; N31-K35 PolarHBondContact O-N 2.99Å; Q33-K35 PolarHBondContact O-N 3.05Å; K35-S39 WeakPolarHBondContact O-CB 3.03Å; K35-W43 HydrophobicContact CB-CH2 4.09Å; K35-W43 HydrophobicContact CB-CZ2 3.97Å; K35-W43 HydrophobicContact CD-CH2 4.49Å; K35-W43 WeakPolarHBondContact O-CZ2 3.35Å; K35-W43 PolarHBondContact O-NE1 2.99Å
36	V	95.8	Very high	94.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-106.1	-50.2	-170.1	-174.2	0	0	0	0	111.5	L27 F32 W43 V45 F101 K105	L27-V36 HydrophobicContact CD1-CG2 3.68Å; L27-V36 HydrophobicContact CD2-CG2 3.72Å; L27-V36 HydrophobicContact CG-CG2 4.36Å; F32-V36 HydrophobicContact CD1-CB 4.41Å; F32-V36 HydrophobicContact CD2-CB 4.44Å; F32-V36 HydrophobicContact CD2-CG2 3.9Å; F32-V36 HydrophobicContact CE1-CB 4.24Å; F32-V36 HydrophobicContact CE1-CG1 4.32Å; F32-V36 HydrophobicContact CE2-CB 4.27Å; F32-V36 HydrophobicContact CE2-CG1 4.41Å; F32-V36 HydrophobicContact CE2-CG2 3.84Å; F32-V36 HydrophobicContact CG-CG2 4.34Å; F32-V36 HydrophobicContact CZ-CB 4.16Å; F32-V36 HydrophobicContact CZ-CG1 4.02Å; F32-V36 HydrophobicContact CZ-CG2 4.24Å; F32-V36 WeakPolarHBondContact O-CA 3.36Å; F32-V36 VanDerWaalsContact O-CB 3.29Å; F32-V36 WeakPolarHBondContact O-CB 3.38Å; F32-V36 PolarHBondContact O-N 2.96Å; V36-W43 HydrophobicContact CB-CD2 4.5Å; V36-W43 HydrophobicContact CG1-CB 4.01Å; V36-W43 HydrophobicContact CG1-CD2 4.46Å; V36-W43 HydrophobicContact CG1-CG 4.06Å; V36-W43 HydrophobicContact CG2-CD2 3.92Å; V36-W43 HydrophobicContact CG2-CE3 3.92Å; V36-W43 HydrophobicContact CG2-CG 4.37Å; V36-W43 HydrophobicContact CG2-CZ3 4.27Å; V36-V45 HydrophobicContact CG1-CG2 4.35Å; V36-V45 HydrophobicContact CG2-CG2 4.46Å; V36-F101 HydrophobicContact CG1-CB 3.88Å; V36-F101 HydrophobicContact CG1-CD1 3.72Å; V36-F101 HydrophobicContact CG1-CD2 4.03Å; V36-F101 HydrophobicContact CG1-CE1 4.27Å; V36-F101 HydrophobicContact CG1-CG 3.6Å; V36-K105 WeakPolarHBondContact O-CD 3.49Å; V36-K105 VanDerWaalsContact O-CE 3.27Å; V36-K105 WeakPolarHBondContact O-CE 3.19Å
37	I	91.8	Very high	94.6	Very high	20 Å²	20	37.8 Å²	37.8	10%	0.103	22%	0.22	C	C	.	.	I	π-helix	trans	-79.2	-38.4	-171.2	-53.8	-55.3	0	0	0	112.1	F32 Q33 S39 Y90 F101 K105	F32-I37 HydrophobicContact CD1-CD1 4.31Å; F32-I37 HydrophobicContact CD1-CG1 3.99Å; F32-I37 HydrophobicContact CE1-CD1 3.82Å; F32-I37 HydrophobicContact CE1-CG1 4.02Å; F32-I37 PolarHBondContact O-N 3.08Å; Q33-I37 CarbonylContact O-C 3.59Å; Q33-I37 WeakPolarHBondContact O-CA 3.14Å; Q33-I37 WeakPolarHBondContact O-CB 3.4Å; Q33-I37 PolarHBondContact O-N 2.89Å; I37-S39 VanDerWaalsContact C-N 3.26Å; I37-S39 PolarHBondContact O-N 2.95Å; I37-Y90 WeakPolarHBondContact CD1-OH 3.22Å; I37-F101 HydrophobicContact CD1-CD1 4.03Å; I37-F101 HydrophobicContact CD1-CE1 3.95Å; I37-K105 HydrophobicContact CD1-CB 4Å; I37-K105 HydrophobicContact CG2-CB 4.18Å; I37-K105 WeakPolarHBondContact O-CG 3.47Å
38	D	91	Very high	94.5	Very high	108 Å²	108	38 Å²	38	58%	0.578	22%	0.221	S	C	*	.	S	Bend	trans	-86.6	-1.2	178	-56.8	-24.2	0	0	0	112.3	Q33	Q33-D38 PolarHBondContact NE2-OD1 2.81Å; Q33-D38 PolarHBondContact O-N 3.08Å
39	S	92.4	Very high	94.5	Very high	24 Å²	24	37 Å²	37	17%	0.168	22%	0.215	C	C	.	.			trans	-81.3	139.9	-176.4	160.2	0	0	0	0	112.9	K35 I37 T41 W43 K105	K35-S39 WeakPolarHBondContact O-CB 3.03Å; I37-S39 VanDerWaalsContact C-N 3.26Å; I37-S39 PolarHBondContact O-N 2.95Å; S39-T41 PolarHBondContact OG-N 3.42Å; S39-T41 VanDerWaalsContact OG-N 3.14Å; S39-T41 PolarHBondContact OG-O 3.19Å; S39-T41 PolarHBondContact OG-OG1 2.83Å; S39-W43 PolarHBondContact OG-NE1 3.24Å; S39-W43 VanDerWaalsContact OG-NE1 3.08Å; S39-K105 WeakPolarHBondContact O-CE 3.37Å
40	D	90.2	Very high	94.4	Very high	106 Å²	106	36.5 Å²	36.5	57%	0.567	21%	0.207	S	C	*	.	S	Bend	trans	-86	-9.1	174.9	80.8	-44.2	0	0	0	113.6	R135	D40-R135 PolarHBondContact O-NH2 3.49Å; D40-R135 IonicContact OD2-CZ 2.61Å; D40-R135 IonicContact OD2-NH2 3.38Å; D40-R135 PolarHBondContact OD2-NH2 3.45Å
41	T	93.5	Very high	94.3	Very high	41 Å²	41	39.3 Å²	39.3	25%	0.252	20%	0.2	S	C	.	.	S	Bend	trans	-91.1	156.3	177.7	68.8	0	0	0	0	112.2	S39 K105	S39-T41 PolarHBondContact OG-N 3.42Å; S39-T41 VanDerWaalsContact OG-N 3.14Å; S39-T41 PolarHBondContact OG-O 3.19Å; S39-T41 PolarHBondContact OG-OG1 2.83Å; T41-K105 PolarHBondContact O-NZ 3.34Å
42	V	96.2	Very high	94.1	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.012	20%	0.196	C	C	.	.			trans	-66.6	142.3	169.2	-179.8	0	0	0	0	109.8	V73 K74 I100 E127 V128 L131	V42-V73 HydrophobicContact CB-CG1 4.05Å; V42-V73 HydrophobicContact CB-CG2 4.21Å; V42-V73 HydrophobicContact CG1-CG1 3.84Å; V42-V73 HydrophobicContact CG1-CG2 4.4Å; V42-V73 WeakPolarHBondContact O-CG1 3.13Å; V42-K74 PolarHBondContact O-N 2.92Å; V42-I100 HydrophobicContact CG1-CG2 3.86Å; V42-E127 HydrophobicContact CG1-CB 3.96Å; V42-E127 HydrophobicContact CG1-CG 3.91Å; V42-E127 HydrophobicContact CG2-CB 4.28Å; V42-E127 HydrophobicContact CG2-CG 4Å; V42-V128 HydrophobicContact CB-CG2 4.22Å; V42-V128 HydrophobicContact CG2-CG2 3.91Å; V42-L131 HydrophobicContact CG2-CD2 4.04Å
43	W	98.1	Very high	93.9	Very high	11 Å²	11	39.7 Å²	39.7	4%	0.042	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	137.6	174.5	-83.5	80.5	0	0	0	111.5	V25 L27 K35 V36 S39 V45 K74 I100 F101	V25-W43 HydrophobicContact CB-CH2 4.15Å; V25-W43 HydrophobicContact CB-CZ3 4.1Å; V25-W43 HydrophobicContact CG1-CH2 4.16Å; V25-W43 HydrophobicContact CG1-CZ3 4.46Å; V25-W43 HydrophobicContact CG2-CH2 4.24Å; V25-W43 HydrophobicContact CG2-CZ3 4.44Å; L27-W43 HydrophobicContact CD1-CE3 4.17Å; L27-W43 HydrophobicContact CD1-CZ3 4Å; L27-W43 HydrophobicContact CD2-CH2 4.12Å; L27-W43 HydrophobicContact CD2-CZ3 3.88Å; L27-W43 HydrophobicContact CG-CZ3 4.24Å; K35-W43 HydrophobicContact CB-CH2 4.09Å; K35-W43 HydrophobicContact CB-CZ2 3.97Å; K35-W43 HydrophobicContact CD-CH2 4.49Å; K35-W43 WeakPolarHBondContact O-CZ2 3.35Å; K35-W43 PolarHBondContact O-NE1 2.99Å; V36-W43 HydrophobicContact CB-CD2 4.5Å; V36-W43 HydrophobicContact CG1-CB 4.01Å; V36-W43 HydrophobicContact CG1-CD2 4.46Å; V36-W43 HydrophobicContact CG1-CG 4.06Å; V36-W43 HydrophobicContact CG2-CD2 3.92Å; V36-W43 HydrophobicContact CG2-CE3 3.92Å; V36-W43 HydrophobicContact CG2-CG 4.37Å; V36-W43 HydrophobicContact CG2-CZ3 4.27Å; S39-W43 PolarHBondContact OG-NE1 3.24Å; S39-W43 VanDerWaalsContact OG-NE1 3.08Å; W43-V45 HydrophobicContact CB-CG2 4.34Å; W43-V45 HydrophobicContact CE3-CG2 4.46Å; W43-K74 CarbonylContact C-O 3.52Å; W43-K74 VanDerWaalsContact CA-O 3.25Å; W43-K74 WeakPolarHBondContact CA-O 3.41Å; W43-K74 HydrophobicContact CD2-CB 3.33Å; W43-K74 HydrophobicContact CD2-CG 4.27Å; W43-K74 HydrophobicContact CE3-CB 3.65Å; W43-K74 HydrophobicContact CG-CB 3.83Å; W43-K74 HydrophobicContact CH2-CB 3.9Å; W43-K74 HydrophobicContact CH2-CG 4.45Å; W43-K74 HydrophobicContact CZ2-CB 3.59Å; W43-K74 HydrophobicContact CZ2-CG 3.83Å; W43-K74 HydrophobicContact CZ3-CB 3.93Å; W43-I100 CarbonylContact O-C 3.58Å; W43-I100 WeakPolarHBondContact O-CA 3.42Å; W43-F101 HydrophobicContact CB-CB 3.96Å; W43-F101 PolarHBondContact N-O 2.9Å; W43-F101 PolarHBondContact O-N 3.1Å
44	V	97.8	Very high	93.9	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	119.5	165.8	-177.7	0	0	0	0	107.5	F62 L69 V73 K74 V75 G76 V98 I100 L120 A124	V44-F62 HydrophobicContact CG1-CE2 3.91Å; V44-F62 HydrophobicContact CG1-CZ 4.33Å; V44-L69 HydrophobicContact CG2-CD1 4.49Å; V44-V73 HydrophobicContact CG2-CG1 3.91Å; V44-K74 PolarHBondContact N-O 2.82Å; V44-V75 HydrophobicContact CB-CG2 4.32Å; V44-V75 CarbonylContact O-C 3.57Å; V44-V75 WeakPolarHBondContact O-CA 3.42Å; V44-G76 PolarHBondContact O-N 3.04Å; V44-V98 HydrophobicContact CG1-CG1 3.69Å; V44-I100 HydrophobicContact CG2-CG1 4.3Å; V44-L120 HydrophobicContact CG1-CD2 4.27Å; V44-A124 HydrophobicContact CG2-CB 3.88Å
45	V	97.8	Very high	93.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	123.9	-175.9	-179.7	0	0	0	0	109.9	L27 F32 V36 W43 F47 G76 V78 V98 K99 F101	L27-V45 HydrophobicContact CD1-CB 4.45Å; L27-V45 HydrophobicContact CD1-CG1 3.93Å; L27-V45 HydrophobicContact CD1-CG2 3.74Å; F32-V45 HydrophobicContact CE2-CG1 4.1Å; F32-V45 HydrophobicContact CE2-CG2 4.34Å; V36-V45 HydrophobicContact CG1-CG2 4.35Å; V36-V45 HydrophobicContact CG2-CG2 4.46Å; W43-V45 HydrophobicContact CB-CG2 4.34Å; W43-V45 HydrophobicContact CE3-CG2 4.46Å; V45-F47 HydrophobicContact CB-CE2 4.22Å; V45-F47 HydrophobicContact CG1-CD2 4.22Å; V45-F47 HydrophobicContact CG1-CE1 4.23Å; V45-F47 HydrophobicContact CG1-CE2 3.78Å; V45-F47 HydrophobicContact CG1-CZ 3.8Å; V45-G76 VanDerWaalsContact CA-O 3.29Å; V45-G76 WeakPolarHBondContact CA-O 3.36Å; V45-V78 HydrophobicContact CG1-CG2 3.81Å; V45-V98 CarbonylContact O-C 3.59Å; V45-V98 WeakPolarHBondContact O-CA 3.05Å; V45-K99 PolarHBondContact N-O 3.32Å; V45-K99 PolarHBondContact O-N 3.41Å; V45-F101 HydrophobicContact CB-CD2 4.09Å; V45-F101 HydrophobicContact CB-CE2 3.84Å; V45-F101 HydrophobicContact CG2-CD2 3.66Å; V45-F101 HydrophobicContact CG2-CE2 3.77Å
46	E	97.3	Very high	93.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.8	166.5	-174	-166.2	-165.7	0	0	110.3	Y18 F58 F62 G76 G77 V78 P96 V98	Y18-E46 WeakPolarHBondContact CE2-OE2 3.46Å; Y18-E46 PolarHBondContact OH-OE2 3.22Å; E46-F58 HydrophobicContact CG-CE1 4.42Å; E46-F58 WeakPolarHBondContact OE1-CD1 3.35Å; E46-F62 HydrophobicContact CB-CD1 4.34Å; E46-F62 HydrophobicContact CB-CD2 4.36Å; E46-F62 HydrophobicContact CB-CE1 3.77Å; E46-F62 HydrophobicContact CB-CE2 3.82Å; E46-F62 HydrophobicContact CB-CZ 3.49Å; E46-F62 VanDerWaalsContact CB-CZ 3.49Å; E46-G76 PolarHBondContact N-O 3.19Å; E46-G77 CarbonylContact O-C 3.56Å; E46-G77 WeakPolarHBondContact O-CA 3.31Å; E46-V78 PolarHBondContact O-N 2.96Å; E46-P96 HydrophobicContact CG-CB 4.1Å; E46-P96 WeakPolarHBondContact OE1-CB 3.37Å; E46-V98 HydrophobicContact CB-CG2 4.17Å; E46-V98 HydrophobicContact CG-CG2 4.09Å
47	F	96.8	Very high	93.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.4	166.7	-58.8	-89.1	0	0	0	108	F32 V45 V78 M80 V86 Y90 V92 T97 K99 F101	F32-F47 HydrophobicContact CE2-CZ 4.45Å; F32-F47 HydrophobicContact CZ-CZ 4.25Å; V45-F47 HydrophobicContact CB-CE2 4.22Å; V45-F47 HydrophobicContact CG1-CD2 4.22Å; V45-F47 HydrophobicContact CG1-CE1 4.23Å; V45-F47 HydrophobicContact CG1-CE2 3.78Å; V45-F47 HydrophobicContact CG1-CZ 3.8Å; F47-V78 HydrophobicContact CD1-CB 3.87Å; F47-V78 HydrophobicContact CD1-CG1 4.17Å; F47-V78 HydrophobicContact CD1-CG2 4.13Å; F47-V78 HydrophobicContact CE1-CB 4.27Å; F47-V78 HydrophobicContact CE1-CG2 4.04Å; F47-M80 HydrophobicContact CB-CG 3.84Å; F47-M80 HydrophobicContact CB-SD 4.25Å; F47-M80 HydrophobicContact CD1-CG 4.25Å; F47-M80 HydrophobicContact CD1-SD 3.62Å; F47-M80 HydrophobicContact CE1-SD 4.49Å; F47-M80 HydrophobicContact CG-SD 4.4Å; F47-V86 HydrophobicContact CE1-CG1 4.08Å; F47-Y90 HydrophobicContact CZ-CD2 4.24Å; F47-V92 HydrophobicContact CB-CG1 3.81Å; F47-V92 HydrophobicContact CB-CG2 4.11Å; F47-V92 HydrophobicContact CD1-CG2 3.98Å; F47-V92 HydrophobicContact CD2-CG2 3.73Å; F47-V92 HydrophobicContact CE1-CG2 4.29Å; F47-V92 HydrophobicContact CE2-CG2 4.09Å; F47-V92 HydrophobicContact CG-CG1 4.29Å; F47-V92 HydrophobicContact CG-CG2 3.67Å; F47-V92 HydrophobicContact CZ-CG2 4.35Å; F47-T97 PolarHBondContact N-O 2.91Å; F47-T97 PolarHBondContact O-N 2.95Å; F47-K99 HydrophobicContact CD2-CD 4.44Å; F47-K99 HydrophobicContact CD2-CG 4.31Å; F47-K99 HydrophobicContact CE2-CB 4.1Å; F47-K99 HydrophobicContact CE2-CD 3.84Å; F47-K99 HydrophobicContact CE2-CG 3.93Å; F47-F101 HydrophobicContact CE2-CE2 4.23Å; F47-F101 HydrophobicContact CZ-CE2 4.2Å; F47-F101 HydrophobicContact CZ-CZ 4.16Å
48	Y	95.8	Very high	93.6	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	167.9	-172.6	72.5	-90.9	0	0	0	111.8	L17 Y18 P50 V78 D79 M80	L17-Y48 HydrophobicContact CB-CD2 3.97Å; L17-Y48 HydrophobicContact CB-CE2 3.42Å; L17-Y48 VanDerWaalsContact CB-CE2 3.42Å; L17-Y48 HydrophobicContact CD2-CD2 3.63Å; L17-Y48 HydrophobicContact CD2-CE2 3.99Å; L17-Y48 HydrophobicContact CD2-CG 3.98Å; L17-Y48 HydrophobicContact CG-CD2 4.47Å; L17-Y48 HydrophobicContact CG-CE2 4.36Å; Y18-Y48 HydrophobicContact CD2-CD1 4.47Å; Y18-Y48 AromaticContact CD2-CE1 3.82Å; Y18-Y48 HydrophobicContact CD2-CE1 3.82Å; Y18-Y48 AromaticContact CE2-CD1 3.98Å; Y18-Y48 HydrophobicContact CE2-CD1 3.98Å; Y18-Y48 AromaticContact CE2-CE1 3.8Å; Y18-Y48 HydrophobicContact CE2-CE1 3.8Å; Y48-P50 HydrophobicContact CE2-CG 4.35Å; Y48-V78 WeakPolarHBondContact CD1-O 3.49Å; Y48-V78 PolarHBondContact N-O 2.86Å; Y48-D79 HydrophobicContact CE2-CB 4.14Å; Y48-M80 WeakPolarHBondContact O-CB 3.31Å; Y48-M80 PolarHBondContact O-N 2.84Å
49	A	93.3	Very high	93.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.203	C	C	.	.			trans	-125.1	138.8	166.7	0	0	0	0	0	109.8	W51 C52 F95	A49-W51 HydrophobicContact CB-CD2 4.28Å; A49-W51 HydrophobicContact CB-CG 4.5Å; A49-W51 HydrophobicContact CB-CZ2 3.96Å; A49-W51 PolarHBondContact O-N 2.86Å; A49-C52 HydrophobicContact CB-CB 4.32Å; A49-C52 VanDerWaalsContact O-CB 3.31Å; A49-C52 WeakPolarHBondContact O-CB 3.48Å; A49-C52 PolarHBondContact O-N 2.93Å; A49-C52 VanDerWaalsContact O-N 3.08Å; A49-F95 HydrophobicContact CB-CD2 3.53Å; A49-F95 HydrophobicContact CB-CE2 3.85Å; A49-F95 HydrophobicContact CB-CG 4.13Å
50	P	90.3	Very high	93.8	Very high	43 Å²	43	41.6 Å²	41.6	28%	0.279	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.3	-175.9	-27.5	35.1	0	0	0	114.7	Y48 C52 Q56 D79 D81	Y48-P50 HydrophobicContact CE2-CG 4.35Å; P50-C52 VanDerWaalsContact C-N 3.32Å; P50-C52 PolarHBondContact O-N 2.97Å; P50-Q56 PolarHBondContact O-NE2 3.42Å; P50-D79 WeakPolarHBondContact CD-OD1 3.49Å; P50-D79 WeakPolarHBondContact CG-OD2 3.36Å; P50-D81 WeakPolarHBondContact CD-OD2 3.43Å
51	W	90.2	Very high	94.1	Very high	170 Å²	170	39.2 Å²	39.2	64%	0.644	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-6.1	-180	55.1	-96.6	0	0	0	114.1	A49 G53 D81 F95	A49-W51 HydrophobicContact CB-CD2 4.28Å; A49-W51 HydrophobicContact CB-CG 4.5Å; A49-W51 HydrophobicContact CB-CZ2 3.96Å; A49-W51 PolarHBondContact O-N 2.86Å; W51-G53 PolarHBondContact O-N 2.89Å; W51-D81 PolarHBondContact NE1-OD1 3.47Å; W51-D81 VanDerWaalsContact NE1-OD1 3.15Å; W51-D81 PolarHBondContact NE1-OD2 2.64Å; W51-F95 HydrophobicContact CZ2-CD2 4.31Å; W51-F95 HydrophobicContact CZ2-CE2 4.35Å
52	C	90.5	Very high	94.2	Very high	9 Å²	9	37.3 Å²	37.3	6%	0.061	19%	0.194	C	C	.	.			trans	-81.5	109.9	-175.2	153.8	0	0	0	0	111.4	A49 P50 H54 C55 Q56 F95	A49-C52 HydrophobicContact CB-CB 4.32Å; A49-C52 VanDerWaalsContact O-CB 3.31Å; A49-C52 WeakPolarHBondContact O-CB 3.48Å; A49-C52 PolarHBondContact O-N 2.93Å; A49-C52 VanDerWaalsContact O-N 3.08Å; P50-C52 VanDerWaalsContact C-N 3.32Å; P50-C52 PolarHBondContact O-N 2.97Å; C52-H54 VanDerWaalsContact C-N 3.28Å; C52-H54 PolarHBondContact O-N 2.73Å; C52-C55 HydrophobicContact CB-CB 3.78Å; C52-C55 WeakPolarHBondContact CB-SG 3.4Å; C52-C55 WeakPolarHBondContact O-CA 3.4Å; C52-C55 VanDerWaalsContact O-CB 3.25Å; C52-C55 WeakPolarHBondContact O-CB 3.33Å; C52-C55 PolarHBondContact O-N 2.96Å; C52-C55 WeakPolarHBondContact SG-CB 3.38Å; C52-C55 PolarHBondContact SG-N 3.2Å; C52-C55 CovalentContact SG-SG 2.07Å; C52-C55 PolarHBondContact SG-SG 3.17Å; C52-Q56 PolarHBondContact O-N 3.42Å; C52-F95 HydrophobicContact CB-CB 4.36Å
53	G	91	Very high	94.2	Very high	37 Å²	37	38.1 Å²	38.1	38%	0.381	20%	0.202	S	C	.	.	H	α-helix	trans	-59.1	-34.7	179.5	0	0	0	0	0	114	W51 C55 Q56 N57	W51-G53 PolarHBondContact O-N 2.89Å; G53-C55 VanDerWaalsContact C-N 3.29Å; G53-C55 PolarHBondContact O-N 2.89Å; G53-Q56 PolarHBondContact O-N 2.9Å; G53-N57 WeakPolarHBondContact O-CB 3.47Å; G53-N57 VanDerWaalsContact O-CG 3.29Å; G53-N57 PolarHBondContact O-N 3.1Å
54	H	91	Very high	94.1	Very high	119 Å²	119	43.5 Å²	43.5	55%	0.551	23%	0.225	S	C	*	.	H	α-helix	trans	-65	-33.3	173.2	-68.6	-54.7	0	0	0	113	C52 F58	C52-H54 VanDerWaalsContact C-N 3.28Å; C52-H54 PolarHBondContact O-N 2.73Å; H54-F58 VanDerWaalsContact O-CB 3.23Å; H54-F58 WeakPolarHBondContact O-CB 3.39Å; H54-F58 PolarHBondContact O-N 3.31Å; H54-F58 VanDerWaalsContact O-N 3.1Å
55	C	93.3	Very high	94.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-72.1	-44.8	177.8	-51.3	0	0	0	0	109.9	L17 C52 G53 N57 F58 A59 F95 P96	L17-C55 HydrophobicContact CD2-CB 4.21Å; C52-C55 HydrophobicContact CB-CB 3.78Å; C52-C55 WeakPolarHBondContact CB-SG 3.4Å; C52-C55 WeakPolarHBondContact O-CA 3.4Å; C52-C55 VanDerWaalsContact O-CB 3.25Å; C52-C55 WeakPolarHBondContact O-CB 3.33Å; C52-C55 PolarHBondContact O-N 2.96Å; C52-C55 WeakPolarHBondContact SG-CB 3.38Å; C52-C55 PolarHBondContact SG-N 3.2Å; C52-C55 CovalentContact SG-SG 2.07Å; C52-C55 PolarHBondContact SG-SG 3.17Å; G53-C55 VanDerWaalsContact C-N 3.29Å; G53-C55 PolarHBondContact O-N 2.89Å; C55-N57 PolarHBondContact O-N 2.9Å; C55-F58 PolarHBondContact O-N 2.94Å; C55-A59 PolarHBondContact O-N 3.5Å; C55-F95 VanDerWaalsContact SG-CB 3.57Å; C55-P96 HydrophobicContact CB-CB 4.42Å; C55-P96 VanDerWaalsContact SG-CD 3.56Å; C55-P96 VanDerWaalsContact SG-N 3.39Å
56	Q	92.6	Very high	94	Very high	98 Å²	98	43.6 Å²	43.6	46%	0.458	23%	0.226	S	C	.	.	H	α-helix	trans	-59.5	-44.5	174.7	-65.5	173.2	4.6	0	0	112.2	L17 P50 C52 G53 F58 A59	L17-Q56 HydrophobicContact CD1-CG 4.08Å; P50-Q56 PolarHBondContact O-NE2 3.42Å; C52-Q56 PolarHBondContact O-N 3.42Å; G53-Q56 PolarHBondContact O-N 2.9Å; Q56-F58 VanDerWaalsContact C-N 3.3Å; Q56-F58 PolarHBondContact O-N 3.25Å; Q56-A59 PolarHBondContact O-N 3.22Å
57	N	91.6	Very high	94	Very high	130 Å²	130	50.7 Å²	50.7	70%	0.695	26%	0.257	S	S	*	.	H	α-helix	trans	-67.4	-29.7	177.1	-72.7	-13.6	0	0	0	113.1	G53 C55 P60	G53-N57 WeakPolarHBondContact O-CB 3.47Å; G53-N57 VanDerWaalsContact O-CG 3.29Å; G53-N57 PolarHBondContact O-N 3.1Å; C55-N57 PolarHBondContact O-N 2.9Å; N57-P60 WeakPolarHBondContact O-CD 2.94Å
58	F	94.6	Very high	94	Very high	6 Å²	6	53.6 Å²	53.6	3%	0.026	28%	0.281	C	S	.	.	H	α-helix	trans	-83.2	-26	-179.8	179.1	-130.7	0	0	0	113	E46 H54 C55 Q56 P60 E61 F62 P96 V98 R115 L120	E46-F58 HydrophobicContact CG-CE1 4.42Å; E46-F58 WeakPolarHBondContact OE1-CD1 3.35Å; H54-F58 VanDerWaalsContact O-CB 3.23Å; H54-F58 WeakPolarHBondContact O-CB 3.39Å; H54-F58 PolarHBondContact O-N 3.31Å; H54-F58 VanDerWaalsContact O-N 3.1Å; C55-F58 PolarHBondContact O-N 2.94Å; Q56-F58 VanDerWaalsContact C-N 3.3Å; Q56-F58 PolarHBondContact O-N 3.25Å; F58-P60 VanDerWaalsContact C-CD 3.44Å; F58-E61 HydrophobicContact CD2-CB 4.3Å; F58-E61 HydrophobicContact CE2-CB 4.48Å; F58-E61 PolarHBondContact O-N 3.22Å; F58-F62 HydrophobicContact CD1-CB 4.33Å; F58-F62 HydrophobicContact CE1-CB 4.08Å; F58-F62 AromaticContact CE1-CD2 3.69Å; F58-F62 HydrophobicContact CE1-CD2 3.69Å; F58-F62 HydrophobicContact CE1-CG 4.16Å; F58-F62 HydrophobicContact CZ-CB 4.22Å; F58-F62 AromaticContact CZ-CD2 3.78Å; F58-F62 HydrophobicContact CZ-CD2 3.78Å; F58-F62 HydrophobicContact CZ-CG 4.44Å; F58-F62 PolarHBondContact O-N 3.02Å; F58-P96 HydrophobicContact CD1-CB 4.22Å; F58-P96 HydrophobicContact CD1-CG 4.14Å; F58-V98 HydrophobicContact CE1-CG2 3.58Å; F58-V98 HydrophobicContact CZ-CG2 3.98Å; F58-R115 HydrophobicContact CD2-CB 3.61Å; F58-R115 HydrophobicContact CD2-CG 4.11Å; F58-R115 HydrophobicContact CE2-CB 3.77Å; F58-R115 HydrophobicContact CE2-CG 4.17Å; F58-R115 HydrophobicContact CG-CB 4.44Å; F58-L120 HydrophobicContact CE2-CD1 3.97Å; F58-L120 HydrophobicContact CZ-CD1 3.74Å; F58-L120 HydrophobicContact CZ-CD2 4.34Å; F58-L120 HydrophobicContact CZ-CG 4.43Å
59	A	94.3	Very high	94	Very high	12 Å²	12	53.5 Å²	53.5	10%	0.099	28%	0.281	C	S	.	.	H	α-helix	trans	-50.7	-40.8	-175.8	0	0	0	0	0	115.1	L17 Y18 C55 Q56 F62 A63	L17-A59 HydrophobicContact CD1-CB 4.17Å; L17-A59 HydrophobicContact CD2-CB 4.15Å; L17-A59 HydrophobicContact CG-CB 4.06Å; Y18-A59 HydrophobicContact CE1-CB 3.85Å; Y18-A59 WeakPolarHBondContact OH-CA 3.38Å; C55-A59 PolarHBondContact O-N 3.5Å; Q56-A59 PolarHBondContact O-N 3.22Å; A59-F62 PolarHBondContact O-N 3.26Å; A59-A63 WeakPolarHBondContact O-CB 3.48Å; A59-A63 PolarHBondContact O-N 3.33Å
60	P	93.9	Very high	94.1	Very high	84 Å²	84	60.2 Å²	60.2	55%	0.545	31%	0.31	S	S	.	.	H	α-helix	trans	-63.5	-40.3	176.4	-23	34.6	0	0	0	113.6	N57 F58 K64	N57-P60 WeakPolarHBondContact O-CD 2.94Å; F58-P60 VanDerWaalsContact C-CD 3.44Å; P60-K64 VanDerWaalsContact O-CB 3.29Å; P60-K64 WeakPolarHBondContact O-CB 3.42Å; P60-K64 PolarHBondContact O-N 3.04Å
61	E	95.8	Very high	94.3	Very high	55 Å²	55	61.9 Å²	61.9	26%	0.257	34%	0.335	S	S	.	.	H	α-helix	trans	-73.1	-37.1	178.5	-73.3	-64.6	116.2	0	0	111.3	F58 K64 A65 T116 A117	F58-E61 HydrophobicContact CD2-CB 4.3Å; F58-E61 HydrophobicContact CE2-CB 4.48Å; F58-E61 PolarHBondContact O-N 3.22Å; E61-K64 PolarHBondContact O-N 3.11Å; E61-K64 IonicContact OE1-NZ 3.85Å; E61-A65 PolarHBondContact O-N 3.2Å; E61-T116 WeakPolarHBondContact OE2-CA 3.37Å; E61-A117 WeakPolarHBondContact O-CB 3.33Å; E61-A117 WeakPolarHBondContact OE2-CB 3.5Å; E61-A117 PolarHBondContact OE2-N 2.88Å
62	F	96.5	Very high	94.6	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	33%	0.327	C	S	.	.	H	α-helix	trans	-65	-43.7	173.8	-164	-107.3	0	0	0	111.8	Y18 V24 V44 E46 F58 A59 K64 A65 A66 V75 V98 L120	Y18-F62 HydrophobicContact CE1-CD1 4.08Å; Y18-F62 HydrophobicContact CE2-CD1 4.25Å; Y18-F62 AromaticContact CZ-CD1 3.65Å; Y18-F62 WeakPolarHBondContact OH-CD1 3.27Å; V24-F62 HydrophobicContact CG1-CD1 4.38Å; V24-F62 HydrophobicContact CG1-CE1 4.03Å; V24-F62 HydrophobicContact CG2-CD1 4.2Å; V24-F62 HydrophobicContact CG2-CE1 4.43Å; V44-F62 HydrophobicContact CG1-CE2 3.91Å; V44-F62 HydrophobicContact CG1-CZ 4.33Å; E46-F62 HydrophobicContact CB-CD1 4.34Å; E46-F62 HydrophobicContact CB-CD2 4.36Å; E46-F62 HydrophobicContact CB-CE1 3.77Å; E46-F62 HydrophobicContact CB-CE2 3.82Å; E46-F62 HydrophobicContact CB-CZ 3.49Å; E46-F62 VanDerWaalsContact CB-CZ 3.49Å; F58-F62 HydrophobicContact CD1-CB 4.33Å; F58-F62 HydrophobicContact CE1-CB 4.08Å; F58-F62 AromaticContact CE1-CD2 3.69Å; F58-F62 HydrophobicContact CE1-CD2 3.69Å; F58-F62 HydrophobicContact CE1-CG 4.16Å; F58-F62 HydrophobicContact CZ-CB 4.22Å; F58-F62 AromaticContact CZ-CD2 3.78Å; F58-F62 HydrophobicContact CZ-CD2 3.78Å; F58-F62 HydrophobicContact CZ-CG 4.44Å; F58-F62 PolarHBondContact O-N 3.02Å; A59-F62 PolarHBondContact O-N 3.26Å; F62-K64 VanDerWaalsContact C-N 3.34Å; F62-K64 PolarHBondContact O-N 3.32Å; F62-A65 PolarHBondContact O-N 3.07Å; F62-A66 WeakPolarHBondContact O-CB 3.37Å; F62-A66 PolarHBondContact O-N 2.79Å; F62-V75 HydrophobicContact CD1-CG1 4.22Å; F62-V75 HydrophobicContact CE1-CG1 3.46Å; F62-V75 VanDerWaalsContact CE1-CG1 3.46Å; F62-V75 HydrophobicContact CE2-CG1 4.07Å; F62-V75 HydrophobicContact CZ-CG1 3.36Å; F62-V98 HydrophobicContact CE2-CG1 4.42Å; F62-V98 HydrophobicContact CE2-CG2 4.36Å; F62-L120 HydrophobicContact CD2-CD1 3.8Å; F62-L120 HydrophobicContact CE2-CD1 4.49Å
63	A	95.9	Very high	94.9	Very high	20 Å²	20	58 Å²	58	17%	0.165	33%	0.326	C	S	.	.	H	α-helix	trans	-59.5	-42.2	172.7	0	0	0	0	0	112.6	N21 A59 A66 K67	N21-A63 WeakPolarHBondContact ND2-CA 3.25Å; N21-A63 WeakPolarHBondContact ND2-CB 3.29Å; A59-A63 WeakPolarHBondContact O-CB 3.48Å; A59-A63 PolarHBondContact O-N 3.33Å; A63-A66 WeakPolarHBondContact O-CB 3.49Å; A63-A66 PolarHBondContact O-N 3.24Å; A63-K67 PolarHBondContact O-N 2.87Å
64	K	95.8	Very high	95.2	Very high	123 Å²	123	61 Å²	61	54%	0.535	33%	0.329	S	S	.	.	H	α-helix	trans	-65.2	-41.3	176.6	-177.9	179.1	174.5	-172.7	0	111.7	P60 E61 F62 K67 A68 A117	P60-K64 VanDerWaalsContact O-CB 3.29Å; P60-K64 WeakPolarHBondContact O-CB 3.42Å; P60-K64 PolarHBondContact O-N 3.04Å; E61-K64 PolarHBondContact O-N 3.11Å; E61-K64 IonicContact OE1-NZ 3.85Å; F62-K64 VanDerWaalsContact C-N 3.34Å; F62-K64 PolarHBondContact O-N 3.32Å; K64-K67 PolarHBondContact O-N 2.69Å; K64-A68 WeakPolarHBondContact O-CB 3.3Å; K64-A68 PolarHBondContact O-N 3.04Å; K64-A117 HydrophobicContact CB-CB 3.92Å; K64-A117 HydrophobicContact CD-CB 3.79Å; K64-A117 HydrophobicContact CG-CB 3.74Å
65	A	97	Very high	95.5	Very high	2 Å²	2	55.6 Å²	55.6	2%	0.017	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-43.8	172.6	0	0	0	0	0	111.8	E61 F62 K67 A68 L69 A117 L120	E61-A65 PolarHBondContact O-N 3.2Å; F62-A65 PolarHBondContact O-N 3.07Å; A65-K67 VanDerWaalsContact C-N 3.33Å; A65-K67 PolarHBondContact O-N 3.44Å; A65-A68 PolarHBondContact O-N 3.38Å; A65-L69 WeakPolarHBondContact O-CB 3.37Å; A65-L69 WeakPolarHBondContact O-CG 3.25Å; A65-L69 PolarHBondContact O-N 3.42Å; A65-A117 HydrophobicContact CB-CB 4.22Å; A65-L120 HydrophobicContact CB-CB 3.84Å; A65-L120 HydrophobicContact CB-CD1 3.67Å; A65-L120 HydrophobicContact CB-CG 4.45Å
66	A	97.4	Very high	95.7	Very high	2 Å²	2	55.6 Å²	55.6	2%	0.017	30%	0.304	C	S	.	.	H	α-helix	trans	-57.8	-44.4	176.8	0	0	0	0	0	112.4	D23 V24 F62 A63 L69 K70 V75	D23-A66 HydrophobicContact CB-CB 4Å; V24-A66 HydrophobicContact CG2-CB 3.56Å; F62-A66 WeakPolarHBondContact O-CB 3.37Å; F62-A66 PolarHBondContact O-N 2.79Å; A63-A66 WeakPolarHBondContact O-CB 3.49Å; A63-A66 PolarHBondContact O-N 3.24Å; A66-L69 PolarHBondContact O-N 3.02Å; A66-K70 PolarHBondContact O-N 2.77Å; A66-V75 HydrophobicContact CB-CB 3.78Å; A66-V75 HydrophobicContact CB-CG1 3.81Å; A66-V75 HydrophobicContact CB-CG2 4.14Å
67	K	96.5	Very high	95.9	Very high	149 Å²	149	51 Å²	51	65%	0.648	28%	0.282	S	S	*	.	H	α-helix	trans	-63.5	-42.5	175.1	-174.4	175.8	-179.3	178.5	0	112.4	A63 K64 A65 K70	A63-K67 PolarHBondContact O-N 2.87Å; K64-K67 PolarHBondContact O-N 2.69Å; A65-K67 VanDerWaalsContact C-N 3.33Å; A65-K67 PolarHBondContact O-N 3.44Å; K67-K70 VanDerWaalsContact O-CB 3.31Å; K67-K70 WeakPolarHBondContact O-CB 3.39Å; K67-K70 PolarHBondContact O-N 2.8Å
68	A	96.7	Very high	96.1	Very high	62 Å²	62	44.8 Å²	44.8	51%	0.512	25%	0.249	S	C	.	.	H	α-helix	trans	-68.6	-35.1	179.9	0	0	0	0	0	113	K64 A65 K70 V121	K64-A68 WeakPolarHBondContact O-CB 3.3Å; K64-A68 PolarHBondContact O-N 3.04Å; A65-A68 PolarHBondContact O-N 3.38Å; A68-K70 VanDerWaalsContact C-N 3.3Å; A68-V121 HydrophobicContact CB-CG2 3.97Å
69	L	96.7	Very high	96.2	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-1.7	-179.4	-71.1	172.3	0	0	0	113.7	V44 A65 A66 G71 I72 V73 V75 V121 A124 I125	V44-L69 HydrophobicContact CG2-CD1 4.49Å; A65-L69 WeakPolarHBondContact O-CB 3.37Å; A65-L69 WeakPolarHBondContact O-CG 3.25Å; A65-L69 PolarHBondContact O-N 3.42Å; A66-L69 PolarHBondContact O-N 3.02Å; L69-G71 PolarHBondContact O-N 3.07Å; L69-I72 WeakPolarHBondContact O-CA 3.29Å; L69-I72 PolarHBondContact O-N 2.85Å; L69-V73 HydrophobicContact CB-CB 4.13Å; L69-V73 HydrophobicContact CD1-CB 4.25Å; L69-V73 HydrophobicContact CD1-CG1 4.45Å; L69-V73 HydrophobicContact CD2-CB 4.17Å; L69-V73 HydrophobicContact CD2-CG2 4.19Å; L69-V73 HydrophobicContact CG-CB 4.41Å; L69-V73 PolarHBondContact O-N 2.96Å; L69-V73 VanDerWaalsContact O-O 3.11Å; L69-V75 HydrophobicContact CB-CG2 4.29Å; L69-V75 HydrophobicContact CD1-CG2 4.01Å; L69-V121 HydrophobicContact CD1-CG2 4.5Å; L69-V121 HydrophobicContact CD2-CB 4.5Å; L69-V121 HydrophobicContact CD2-CG1 4.3Å; L69-V121 HydrophobicContact CD2-CG2 4.27Å; L69-V121 HydrophobicContact CG-CG2 4.08Å; L69-A124 HydrophobicContact CD1-CB 3.7Å; L69-A124 HydrophobicContact CD2-CB 3.96Å; L69-I125 HydrophobicContact CD2-CD1 4.23Å; L69-I125 HydrophobicContact CD2-CG1 4.44Å
70	K	95	Very high	96.2	Very high	141 Å²	141	45.1 Å²	45.1	61%	0.613	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	122.2	-176.3	-172.8	175.7	-169.5	149.1	0	111.6	D23 A66 K67 A68 I72	D23-K70 WeakPolarHBondContact OD1-CD 3.4Å; D23-K70 WeakPolarHBondContact OD1-CE 3.34Å; D23-K70 IonicContact OD1-NZ 2.89Å; D23-K70 PolarHBondContact OD1-NZ 3.15Å; A66-K70 PolarHBondContact O-N 2.77Å; K67-K70 VanDerWaalsContact O-CB 3.31Å; K67-K70 WeakPolarHBondContact O-CB 3.39Å; K67-K70 PolarHBondContact O-N 2.8Å; A68-K70 VanDerWaalsContact C-N 3.3Å; K70-I72 VanDerWaalsContact C-N 3.29Å
71	G	94	Very high	96.1	Very high	78 Å²	78	45.4 Å²	45.4	80%	0.804	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.4	-9.3	-178.7	0	0	0	0	0	114.8	L69	L69-G71 PolarHBondContact O-N 3.07Å
72	I	95.8	Very high	95.9	Very high	92 Å²	92	47.6 Å²	47.6	47%	0.472	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-52.2	-179.6	-49.5	175.1	0	0	0	110.1	L69 K70 I125 V128	L69-I72 WeakPolarHBondContact O-CA 3.29Å; L69-I72 PolarHBondContact O-N 2.85Å; K70-I72 VanDerWaalsContact C-N 3.29Å; I72-I125 HydrophobicContact CG2-CD1 3.88Å; I72-V128 HydrophobicContact CG2-CG2 4.34Å
73	V	96.8	Very high	95.8	Very high	5 Å²	5	49.5 Å²	49.5	3%	0.03	26%	0.263	C	S	.	.	S	Bend	trans	-131.3	141.7	-179.8	178.5	0	0	0	0	108.7	V42 V44 L69 A124 V128	V42-V73 HydrophobicContact CB-CG1 4.05Å; V42-V73 HydrophobicContact CB-CG2 4.21Å; V42-V73 HydrophobicContact CG1-CG1 3.84Å; V42-V73 HydrophobicContact CG1-CG2 4.4Å; V42-V73 WeakPolarHBondContact O-CG1 3.13Å; V44-V73 HydrophobicContact CG2-CG1 3.91Å; L69-V73 HydrophobicContact CB-CB 4.13Å; L69-V73 HydrophobicContact CD1-CB 4.25Å; L69-V73 HydrophobicContact CD1-CG1 4.45Å; L69-V73 HydrophobicContact CD2-CB 4.17Å; L69-V73 HydrophobicContact CD2-CG2 4.19Å; L69-V73 HydrophobicContact CG-CB 4.41Å; L69-V73 PolarHBondContact O-N 2.96Å; L69-V73 VanDerWaalsContact O-O 3.11Å; V73-A124 HydrophobicContact CB-CB 4.45Å; V73-A124 HydrophobicContact CG1-CB 4.19Å; V73-A124 HydrophobicContact CG2-CB 4.12Å; V73-V128 HydrophobicContact CG2-CG2 3.32Å
74	K	97.6	Very high	95.4	Very high	101 Å²	101	50.2 Å²	50.2	44%	0.439	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	138.7	175.7	-63.1	-63.7	-175.1	179.8	0	109.6	V42 W43 V44	V42-K74 PolarHBondContact O-N 2.92Å; W43-K74 CarbonylContact C-O 3.52Å; W43-K74 VanDerWaalsContact CA-O 3.25Å; W43-K74 WeakPolarHBondContact CA-O 3.41Å; W43-K74 HydrophobicContact CD2-CB 3.33Å; W43-K74 HydrophobicContact CD2-CG 4.27Å; W43-K74 HydrophobicContact CE3-CB 3.65Å; W43-K74 HydrophobicContact CG-CB 3.83Å; W43-K74 HydrophobicContact CH2-CB 3.9Å; W43-K74 HydrophobicContact CH2-CG 4.45Å; W43-K74 HydrophobicContact CZ2-CB 3.59Å; W43-K74 HydrophobicContact CZ2-CG 3.83Å; W43-K74 HydrophobicContact CZ3-CB 3.93Å; V44-K74 PolarHBondContact N-O 2.82Å
75	V	97.9	Very high	95.1	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.03	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	133.6	179.7	-174.9	0	0	0	0	108.5	V25 V44 F62 A66 L69	V25-V75 PolarHBondContact N-O 2.84Å; V44-V75 HydrophobicContact CB-CG2 4.32Å; V44-V75 CarbonylContact O-C 3.57Å; V44-V75 WeakPolarHBondContact O-CA 3.42Å; F62-V75 HydrophobicContact CD1-CG1 4.22Å; F62-V75 HydrophobicContact CE1-CG1 3.46Å; F62-V75 VanDerWaalsContact CE1-CG1 3.46Å; F62-V75 HydrophobicContact CE2-CG1 4.07Å; F62-V75 HydrophobicContact CZ-CG1 3.36Å; A66-V75 HydrophobicContact CB-CB 3.78Å; A66-V75 HydrophobicContact CB-CG1 3.81Å; A66-V75 HydrophobicContact CB-CG2 4.14Å; L69-V75 HydrophobicContact CB-CG2 4.29Å; L69-V75 HydrophobicContact CD1-CG2 4.01Å
76	G	97.1	Very high	94.9	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	155.7	-178.1	0	0	0	0	0	113.7	V25 V44 V45 E46	V25-G76 CarbonylContact O-C 3.52Å; V25-G76 WeakPolarHBondContact O-CA 3.4Å; V44-G76 PolarHBondContact O-N 3.04Å; V45-G76 VanDerWaalsContact CA-O 3.29Å; V45-G76 WeakPolarHBondContact CA-O 3.36Å; E46-G76 PolarHBondContact N-O 3.19Å
77	G	96.9	Very high	94.4	Very high	1 Å²	1	49 Å²	49	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	136.7	177.6	0	0	0	0	0	110.7	V25 L27 E46	V25-G77 PolarHBondContact O-N 3.11Å; L27-G77 PolarHBondContact N-O 3.08Å; E46-G77 CarbonylContact O-C 3.56Å; E46-G77 WeakPolarHBondContact O-CA 3.31Å
78	V	96.2	Very high	93.9	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	114.6	173.3	-178.8	0	0	0	0	108.3	L27 F32 V45 E46 F47 Y48 M80 H83 V86	L27-V78 HydrophobicContact CB-CG2 3.57Å; L27-V78 HydrophobicContact CD1-CG2 4.25Å; F32-V78 HydrophobicContact CD2-CG2 4.14Å; F32-V78 HydrophobicContact CE2-CG2 4.04Å; V45-V78 HydrophobicContact CG1-CG2 3.81Å; E46-V78 PolarHBondContact O-N 2.96Å; F47-V78 HydrophobicContact CD1-CB 3.87Å; F47-V78 HydrophobicContact CD1-CG1 4.17Å; F47-V78 HydrophobicContact CD1-CG2 4.13Å; F47-V78 HydrophobicContact CE1-CB 4.27Å; F47-V78 HydrophobicContact CE1-CG2 4.04Å; Y48-V78 WeakPolarHBondContact CD1-O 3.49Å; Y48-V78 PolarHBondContact N-O 2.86Å; V78-M80 HydrophobicContact CG1-CG 4.43Å; V78-M80 HydrophobicContact CG1-SD 3.97Å; V78-M80 PolarHBondContact O-N 3.47Å; V78-H83 HydrophobicContact CG1-CB 4Å; V78-V86 HydrophobicContact CG1-CB 4.02Å; V78-V86 HydrophobicContact CG1-CG1 4.18Å; V78-V86 HydrophobicContact CG1-CG2 4.43Å; V78-V86 HydrophobicContact CG2-CG1 4.15Å
79	D	95.8	Very high	93.4	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	103.5	167.7	-175.4	-21.9	0	0	0	108.9	Y48 P50 D81 K82 H83	Y48-D79 HydrophobicContact CE2-CB 4.14Å; P50-D79 WeakPolarHBondContact CD-OD1 3.49Å; P50-D79 WeakPolarHBondContact CG-OD2 3.36Å; D79-D81 VanDerWaalsContact C-N 3.3Å; D79-D81 PolarHBondContact O-N 3.18Å; D79-D81 WeakPolarHBondContact OD1-CB 3.46Å; D79-D81 PolarHBondContact OD1-N 3.22Å; D79-D81 VanDerWaalsContact OD1-N 3.1Å; D79-K82 HydrophobicContact CB-CB 4.38Å; D79-K82 PolarHBondContact O-N 3.33Å; D79-K82 PolarHBondContact OD1-N 2.87Å; D79-K82 WeakPolarHBondContact OD2-CD 3.07Å; D79-H83 WeakPolarHBondContact O-CB 3.47Å; D79-H83 PolarHBondContact O-N 3.36Å
80	M	94.6	Very high	93	Very high	21 Å²	21	47.7 Å²	47.7	10%	0.103	29%	0.286	C	S	.	.	H	α-helix	trans	-74.8	-17.5	-174.6	-73.1	-70.4	-66.5	0	0	113.5	F47 Y48 V78 K82 G84 V92 F95	F47-M80 HydrophobicContact CB-CG 3.84Å; F47-M80 HydrophobicContact CB-SD 4.25Å; F47-M80 HydrophobicContact CD1-CG 4.25Å; F47-M80 HydrophobicContact CD1-SD 3.62Å; F47-M80 HydrophobicContact CE1-SD 4.49Å; F47-M80 HydrophobicContact CG-SD 4.4Å; Y48-M80 WeakPolarHBondContact O-CB 3.31Å; Y48-M80 PolarHBondContact O-N 2.84Å; V78-M80 HydrophobicContact CG1-CG 4.43Å; V78-M80 HydrophobicContact CG1-SD 3.97Å; V78-M80 PolarHBondContact O-N 3.47Å; M80-K82 VanDerWaalsContact C-N 3.31Å; M80-G84 VanDerWaalsContact O-CA 3.22Å; M80-G84 WeakPolarHBondContact O-CA 3.03Å; M80-G84 PolarHBondContact O-N 3.2Å; M80-G84 VanDerWaalsContact O-N 3.08Å; M80-V92 HydrophobicContact CE-CB 4.21Å; M80-V92 HydrophobicContact CE-CG1 4.05Å; M80-F95 HydrophobicContact CB-CD1 4.32Å; M80-F95 HydrophobicContact CB-CE1 3.43Å; M80-F95 VanDerWaalsContact CB-CE1 3.43Å; M80-F95 HydrophobicContact CB-CE2 4.48Å; M80-F95 HydrophobicContact CB-CZ 3.52Å; M80-F95 HydrophobicContact CE-CE1 4.28Å; M80-F95 HydrophobicContact CG-CD1 4.28Å; M80-F95 HydrophobicContact CG-CE1 3.54Å; M80-F95 HydrophobicContact CG-CZ 4.15Å
81	D	92.2	Very high	92.6	Very high	90 Å²	90	46.1 Å²	46.1	48%	0.481	29%	0.285	S	S	.	.	H	α-helix	trans	-69.9	-34.5	171	-72.9	-13.1	0	0	0	110.4	P50 W51 D79	P50-D81 WeakPolarHBondContact CD-OD2 3.43Å; W51-D81 PolarHBondContact NE1-OD1 3.47Å; W51-D81 VanDerWaalsContact NE1-OD1 3.15Å; W51-D81 PolarHBondContact NE1-OD2 2.64Å; D79-D81 VanDerWaalsContact C-N 3.3Å; D79-D81 PolarHBondContact O-N 3.18Å; D79-D81 WeakPolarHBondContact OD1-CB 3.46Å; D79-D81 PolarHBondContact OD1-N 3.22Å; D79-D81 VanDerWaalsContact OD1-N 3.1Å
82	K	92.7	Very high	92.4	Very high	102 Å²	102	43.4 Å²	43.4	44%	0.443	25%	0.253	S	S	.	.	H	α-helix	trans	-90.9	-32.4	178.7	-64.6	-179.3	-177.1	174.9	0	113.4	D79 M80	D79-K82 HydrophobicContact CB-CB 4.38Å; D79-K82 PolarHBondContact O-N 3.33Å; D79-K82 PolarHBondContact OD1-N 2.87Å; D79-K82 WeakPolarHBondContact OD2-CD 3.07Å; M80-K82 VanDerWaalsContact C-N 3.31Å
83	H	93.5	Very high	91.9	Very high	40 Å²	40	46.8 Å²	46.8	19%	0.185	27%	0.266	C	S	.	.	H	α-helix	trans	-130.8	38.8	-168.7	-58.3	-52.2	0	0	0	112.8	T28 V78 D79 S85 V86	T28-H83 WeakPolarHBondContact CB-NE2 3.35Å; T28-H83 WeakPolarHBondContact CG2-NE2 3.46Å; V78-H83 HydrophobicContact CG1-CB 4Å; D79-H83 WeakPolarHBondContact O-CB 3.47Å; D79-H83 PolarHBondContact O-N 3.36Å; H83-S85 PolarHBondContact O-N 2.73Å; H83-V86 HydrophobicContact CB-CG2 4Å; H83-V86 WeakPolarHBondContact O-CB 3.46Å; H83-V86 WeakPolarHBondContact O-CG2 3.3Å; H83-V86 PolarHBondContact O-N 3.38Å
84	G	88.2	Confident	91.6	Very high	35 Å²	35	48 Å²	48	36%	0.361	28%	0.28	S	S	.	.	H	α-helix	trans	-54.7	-27.6	-177.4	0	0	0	0	0	115.3	M80 V86 G87	M80-G84 VanDerWaalsContact O-CA 3.22Å; M80-G84 WeakPolarHBondContact O-CA 3.03Å; M80-G84 PolarHBondContact O-N 3.2Å; M80-G84 VanDerWaalsContact O-N 3.08Å; G84-V86 PolarHBondContact O-N 2.86Å; G84-G87 PolarHBondContact O-N 3.01Å
85	S	89.5	Confident	91.4	Very high	90 Å²	90	46.1 Å²	46.1	63%	0.629	27%	0.272	S	S	*	.	H	α-helix	trans	-62.7	-22.9	175.9	58.1	0	0	0	0	113.8	H83 P89	H83-S85 PolarHBondContact O-N 2.73Å; S85-P89 WeakPolarHBondContact O-CD 3.32Å
86	V	91.4	Very high	91.2	Very high	11 Å²	11	46.4 Å²	46.4	7%	0.067	27%	0.274	C	S	.	.	H	α-helix	trans	-72.1	-39.3	-179.7	-177.9	0	0	0	0	111.4	A29 F32 F47 V78 H83 G84 Y90	A29-V86 HydrophobicContact CB-CG2 3.97Å; F32-V86 HydrophobicContact CB-CG1 3.98Å; F32-V86 HydrophobicContact CD1-CG1 3.78Å; F32-V86 HydrophobicContact CD2-CG1 3.32Å; F32-V86 HydrophobicContact CE1-CG1 4.02Å; F32-V86 HydrophobicContact CE2-CG1 3.62Å; F32-V86 HydrophobicContact CG-CG1 3.41Å; F32-V86 VanDerWaalsContact CG-CG1 3.41Å; F32-V86 HydrophobicContact CZ-CG1 3.95Å; F47-V86 HydrophobicContact CE1-CG1 4.08Å; V78-V86 HydrophobicContact CG1-CB 4.02Å; V78-V86 HydrophobicContact CG1-CG1 4.18Å; V78-V86 HydrophobicContact CG1-CG2 4.43Å; V78-V86 HydrophobicContact CG2-CG1 4.15Å; H83-V86 HydrophobicContact CB-CG2 4Å; H83-V86 WeakPolarHBondContact O-CB 3.46Å; H83-V86 WeakPolarHBondContact O-CG2 3.3Å; H83-V86 PolarHBondContact O-N 3.38Å; G84-V86 PolarHBondContact O-N 2.86Å; V86-Y90 VanDerWaalsContact O-CD2 3.28Å; V86-Y90 WeakPolarHBondContact O-CD2 3.26Å; V86-Y90 WeakPolarHBondContact O-CE2 3.46Å
87	G	86.4	Confident	91	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-81	-20	-177.9	0	0	0	0	0	114.6	G84 Y90 N91 V92	G84-G87 PolarHBondContact O-N 3.01Å; G87-Y90 CarbonylContact O-C 3.52Å; G87-Y90 PolarHBondContact O-N 3.4Å; G87-Y90 VanDerWaalsContact O-N 3.11Å; G87-N91 PolarHBondContact O-N 3.47Å; G87-V92 WeakPolarHBondContact O-CG2 3.46Å; G87-V92 PolarHBondContact O-N 3.03Å
88	G	85.9	Confident	91	Very high	52 Å²	52	48.2 Å²	48.2	54%	0.536	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-53.1	-55	-177.6	0	0	0	0	0	114.3	Y90 N91	G88-Y90 PolarHBondContact O-N 3.1Å; G88-N91 PolarHBondContact O-N 3.16Å
89	P	87.6	Confident	91	Very high	103 Å²	103	48.5 Å²	48.5	67%	0.669	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-57.9	-20.8	178.4	-27.1	35.9	0	0	0	114.9	S85	S85-P89 WeakPolarHBondContact O-CD 3.32Å
90	Y	87.6	Confident	91.1	Very high	32 Å²	32	48.8 Å²	48.8	13%	0.125	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-105.4	12.5	-177.4	-49.3	-66	0	0	0	112.8	F32 I37 F47 V86 G87 G88 V92 K99 F101 P108	F32-Y90 AromaticContact CE1-CE2 3.6Å; F32-Y90 HydrophobicContact CE1-CE2 3.6Å; F32-Y90 HydrophobicContact CZ-CE2 4.09Å; I37-Y90 WeakPolarHBondContact CD1-OH 3.22Å; F47-Y90 HydrophobicContact CZ-CD2 4.24Å; V86-Y90 VanDerWaalsContact O-CD2 3.28Å; V86-Y90 WeakPolarHBondContact O-CD2 3.26Å; V86-Y90 WeakPolarHBondContact O-CE2 3.46Å; G87-Y90 CarbonylContact O-C 3.52Å; G87-Y90 PolarHBondContact O-N 3.4Å; G87-Y90 VanDerWaalsContact O-N 3.11Å; G88-Y90 PolarHBondContact O-N 3.1Å; Y90-V92 PolarHBondContact O-N 2.87Å; Y90-K99 WeakPolarHBondContact O-CE 3.39Å; Y90-K99 PolarHBondContact O-NZ 3.35Å; Y90-F101 HydrophobicContact CD1-CE1 4.09Å; Y90-F101 HydrophobicContact CD1-CZ 4.21Å; Y90-F101 HydrophobicContact CD2-CE1 4.4Å; Y90-F101 AromaticContact CD2-CZ 4Å; Y90-F101 HydrophobicContact CD2-CZ 4Å; Y90-F101 AromaticContact CE1-CE1 3.68Å; Y90-F101 HydrophobicContact CE1-CE1 3.68Å; Y90-F101 HydrophobicContact CE1-CZ 4.19Å; Y90-F101 HydrophobicContact CE2-CE1 4.04Å; Y90-F101 AromaticContact CE2-CZ 4Å; Y90-F101 HydrophobicContact CE2-CZ 4Å; Y90-F101 HydrophobicContact CG-CE1 4.43Å; Y90-F101 HydrophobicContact CG-CZ 4.12Å; Y90-F101 AromaticContact CZ-CE1 3.68Å; Y90-P108 HydrophobicContact CD1-CG 3.51Å; Y90-P108 HydrophobicContact CE1-CG 4.13Å; Y90-P108 HydrophobicContact CG-CG 4.1Å
91	N	87.6	Confident	91.1	Very high	107 Å²	107	47.8 Å²	47.8	57%	0.572	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.1	46.9	178.8	-169.2	47	0	0	0	113	G87 G88 Q93	G87-N91 PolarHBondContact O-N 3.47Å; G88-N91 PolarHBondContact O-N 3.16Å; N91-Q93 PolarHBondContact ND2-NE2 3.46Å; N91-Q93 PolarHBondContact O-N 3.04Å; N91-Q93 PolarHBondContact OD1-NE2 3.47Å
92	V	88.3	Confident	91.1	Very high	22 Å²	22	43.7 Å²	43.7	13%	0.133	26%	0.262	C	S	.	.			trans	-74.4	112.9	171.4	177.3	0	0	0	0	109	F47 M80 G87 Y90 F95 T97 K99	F47-V92 HydrophobicContact CB-CG1 3.81Å; F47-V92 HydrophobicContact CB-CG2 4.11Å; F47-V92 HydrophobicContact CD1-CG2 3.98Å; F47-V92 HydrophobicContact CD2-CG2 3.73Å; F47-V92 HydrophobicContact CE1-CG2 4.29Å; F47-V92 HydrophobicContact CE2-CG2 4.09Å; F47-V92 HydrophobicContact CG-CG1 4.29Å; F47-V92 HydrophobicContact CG-CG2 3.67Å; F47-V92 HydrophobicContact CZ-CG2 4.35Å; M80-V92 HydrophobicContact CE-CB 4.21Å; M80-V92 HydrophobicContact CE-CG1 4.05Å; G87-V92 WeakPolarHBondContact O-CG2 3.46Å; G87-V92 PolarHBondContact O-N 3.03Å; Y90-V92 PolarHBondContact O-N 2.87Å; V92-F95 HydrophobicContact CG1-CD1 4.37Å; V92-F95 HydrophobicContact CG1-CE1 3.95Å; V92-T97 HydrophobicContact CG2-CG2 4.36Å; V92-K99 HydrophobicContact CG2-CD 4.49Å; V92-K99 VanDerWaalsContact CG2-CE 3.5Å
93	Q	86.9	Confident	90.9	Very high	162 Å²	162	41.3 Å²	41.3	76%	0.757	25%	0.253	S	S	*	.			trans	-110.3	-9.3	-175.1	-63.3	-177.9	-7.4	0	0	114.1	N91	N91-Q93 PolarHBondContact ND2-NE2 3.46Å; N91-Q93 PolarHBondContact O-N 3.04Å; N91-Q93 PolarHBondContact OD1-NE2 3.47Å
94	G	90.2	Very high	90.6	Very high	31 Å²	31	43 Å²	43	32%	0.32	26%	0.263	S	S	.	.	S	Bend	trans	-166.1	175.6	-178.5	0	0	0	0	0	112.5	T97	G94-T97 WeakPolarHBondContact O-CB 3.34Å; G94-T97 PolarHBondContact O-OG1 3.3Å
95	F	92.5	Very high	90.6	Very high	62 Å²	62	42.1 Å²	42.1	27%	0.272	25%	0.25	S	C	.	.	S	Bend	trans	-129.8	144.3	-172.7	-46.4	-54.6	0	0	0	112.5	A49 W51 C52 C55 M80 V92	A49-F95 HydrophobicContact CB-CD2 3.53Å; A49-F95 HydrophobicContact CB-CE2 3.85Å; A49-F95 HydrophobicContact CB-CG 4.13Å; W51-F95 HydrophobicContact CZ2-CD2 4.31Å; W51-F95 HydrophobicContact CZ2-CE2 4.35Å; C52-F95 HydrophobicContact CB-CB 4.36Å; C55-F95 VanDerWaalsContact SG-CB 3.57Å; M80-F95 HydrophobicContact CB-CD1 4.32Å; M80-F95 HydrophobicContact CB-CE1 3.43Å; M80-F95 VanDerWaalsContact CB-CE1 3.43Å; M80-F95 HydrophobicContact CB-CE2 4.48Å; M80-F95 HydrophobicContact CB-CZ 3.52Å; M80-F95 HydrophobicContact CE-CE1 4.28Å; M80-F95 HydrophobicContact CG-CD1 4.28Å; M80-F95 HydrophobicContact CG-CE1 3.54Å; M80-F95 HydrophobicContact CG-CZ 4.15Å; V92-F95 HydrophobicContact CG1-CD1 4.37Å; V92-F95 HydrophobicContact CG1-CE1 3.95Å
96	P	93.3	Very high	90.3	Very high	10 Å²	10	43.5 Å²	43.5	7%	0.065	25%	0.25	C	C	.	.	S	Bend	cis	-73.8	139	-12.2	31.4	-33.2	0	0	0	110.5	E46 C55 F58	E46-P96 HydrophobicContact CG-CB 4.1Å; E46-P96 WeakPolarHBondContact OE1-CB 3.37Å; C55-P96 HydrophobicContact CB-CB 4.42Å; C55-P96 VanDerWaalsContact SG-CD 3.56Å; C55-P96 VanDerWaalsContact SG-N 3.39Å; F58-P96 HydrophobicContact CD1-CB 4.22Å; F58-P96 HydrophobicContact CD1-CG 4.14Å
97	T	94.6	Very high	90	Very high	30 Å²	30	50.7 Å²	50.7	18%	0.184	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.7	166.6	-69	0	0	0	0	108.1	F47 V92 G94 K99	F47-T97 PolarHBondContact N-O 2.91Å; F47-T97 PolarHBondContact O-N 2.95Å; V92-T97 HydrophobicContact CG2-CG2 4.36Å; G94-T97 WeakPolarHBondContact O-CB 3.34Å; G94-T97 PolarHBondContact O-OG1 3.3Å; T97-K99 HydrophobicContact CG2-CG 4.1Å
98	V	96.7	Very high	90.3	Very high	9 Å²	9	51.7 Å²	51.7	6%	0.055	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.6	175.6	178.1	0	0	0	0	109.3	V44 V45 E46 F58 F62 F111 L120	V44-V98 HydrophobicContact CG1-CG1 3.69Å; V45-V98 CarbonylContact O-C 3.59Å; V45-V98 WeakPolarHBondContact O-CA 3.05Å; E46-V98 HydrophobicContact CB-CG2 4.17Å; E46-V98 HydrophobicContact CG-CG2 4.09Å; F58-V98 HydrophobicContact CE1-CG2 3.58Å; F58-V98 HydrophobicContact CZ-CG2 3.98Å; F62-V98 HydrophobicContact CE2-CG1 4.42Å; F62-V98 HydrophobicContact CE2-CG2 4.36Å; V98-F111 HydrophobicContact CB-CB 3.89Å; V98-F111 HydrophobicContact CB-CD1 4.06Å; V98-F111 HydrophobicContact CB-CG 4.37Å; V98-F111 HydrophobicContact CG1-CB 3.76Å; V98-F111 HydrophobicContact CG1-CD1 4.18Å; V98-F111 HydrophobicContact CG1-CG 4.19Å; V98-F111 PolarHBondContact O-N 3.46Å; V98-L120 HydrophobicContact CG1-CD2 3.98Å
99	K	96.1	Very high	90.4	Very high	7 Å²	7	52.8 Å²	52.8	3%	0.03	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140.9	174.5	-55.6	-174.6	-174.9	-87.1	0	111	V45 F47 Y90 V92 T97 F101 P108 T109 D110	V45-K99 PolarHBondContact N-O 3.32Å; V45-K99 PolarHBondContact O-N 3.41Å; F47-K99 HydrophobicContact CD2-CD 4.44Å; F47-K99 HydrophobicContact CD2-CG 4.31Å; F47-K99 HydrophobicContact CE2-CB 4.1Å; F47-K99 HydrophobicContact CE2-CD 3.84Å; F47-K99 HydrophobicContact CE2-CG 3.93Å; Y90-K99 WeakPolarHBondContact O-CE 3.39Å; Y90-K99 PolarHBondContact O-NZ 3.35Å; V92-K99 HydrophobicContact CG2-CD 4.49Å; V92-K99 VanDerWaalsContact CG2-CE 3.5Å; T97-K99 HydrophobicContact CG2-CG 4.1Å; K99-F101 HydrophobicContact CB-CD2 4.48Å; K99-F101 HydrophobicContact CB-CE2 3.94Å; K99-P108 HydrophobicContact CB-CB 4.07Å; K99-P108 HydrophobicContact CB-CG 4.39Å; K99-P108 HydrophobicContact CD-CG 4.09Å; K99-T109 CarbonylContact C-O 3.56Å; K99-T109 WeakPolarHBondContact CA-O 3.16Å; K99-D110 IonicContact NZ-OD1 3.84Å; K99-D110 PolarHBondContact NZ-OD1 3.02Å; K99-D110 IonicContact NZ-OD2 3.91Å
100	I	96.4	Very high	90.5	Very high	8 Å²	8	51.4 Å²	51.4	4%	0.041	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	112.7	177.4	-53.3	-177.6	0	0	0	108.7	V42 W43 V44 G102 P108 T109 F111 A123 E127	V42-I100 HydrophobicContact CG1-CG2 3.86Å; W43-I100 CarbonylContact O-C 3.58Å; W43-I100 WeakPolarHBondContact O-CA 3.42Å; V44-I100 HydrophobicContact CG2-CG1 4.3Å; I100-G102 PolarHBondContact O-N 2.62Å; I100-P108 CarbonylContact O-C 3.59Å; I100-P108 VanDerWaalsContact O-CA 3.3Å; I100-P108 WeakPolarHBondContact O-CA 3Å; I100-P108 WeakPolarHBondContact O-CB 3.25Å; I100-T109 PolarHBondContact N-O 2.99Å; I100-T109 PolarHBondContact O-N 3.16Å; I100-F111 HydrophobicContact CD1-CD2 4.38Å; I100-F111 HydrophobicContact CG1-CB 4.48Å; I100-A123 HydrophobicContact CD1-CB 3.56Å; I100-E127 HydrophobicContact CG2-CB 4.12Å; I100-E127 HydrophobicContact CG2-CG 4.08Å
101	F	96.1	Very high	90.7	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	89.8	177.4	-71.2	-100.6	0	0	0	109.2	F32 V36 I37 W43 V45 F47 Y90 K99 K105 P108	F32-F101 HydrophobicContact CE1-CE1 4.13Å; F32-F101 HydrophobicContact CE1-CZ 4.15Å; F32-F101 AromaticContact CZ-CE1 3.95Å; F32-F101 HydrophobicContact CZ-CE1 3.95Å; F32-F101 HydrophobicContact CZ-CE2 4.05Å; F32-F101 AromaticContact CZ-CZ 3.56Å; F32-F101 HydrophobicContact CZ-CZ 3.56Å; V36-F101 HydrophobicContact CG1-CB 3.88Å; V36-F101 HydrophobicContact CG1-CD1 3.72Å; V36-F101 HydrophobicContact CG1-CD2 4.03Å; V36-F101 HydrophobicContact CG1-CE1 4.27Å; V36-F101 HydrophobicContact CG1-CG 3.6Å; I37-F101 HydrophobicContact CD1-CD1 4.03Å; I37-F101 HydrophobicContact CD1-CE1 3.95Å; W43-F101 HydrophobicContact CB-CB 3.96Å; W43-F101 PolarHBondContact N-O 2.9Å; W43-F101 PolarHBondContact O-N 3.1Å; V45-F101 HydrophobicContact CB-CD2 4.09Å; V45-F101 HydrophobicContact CB-CE2 3.84Å; V45-F101 HydrophobicContact CG2-CD2 3.66Å; V45-F101 HydrophobicContact CG2-CE2 3.77Å; F47-F101 HydrophobicContact CE2-CE2 4.23Å; F47-F101 HydrophobicContact CZ-CE2 4.2Å; F47-F101 HydrophobicContact CZ-CZ 4.16Å; Y90-F101 HydrophobicContact CD1-CE1 4.09Å; Y90-F101 HydrophobicContact CD1-CZ 4.21Å; Y90-F101 HydrophobicContact CD2-CE1 4.4Å; Y90-F101 AromaticContact CD2-CZ 4Å; Y90-F101 HydrophobicContact CD2-CZ 4Å; Y90-F101 AromaticContact CE1-CE1 3.68Å; Y90-F101 HydrophobicContact CE1-CE1 3.68Å; Y90-F101 HydrophobicContact CE1-CZ 4.19Å; Y90-F101 HydrophobicContact CE2-CE1 4.04Å; Y90-F101 AromaticContact CE2-CZ 4Å; Y90-F101 HydrophobicContact CE2-CZ 4Å; Y90-F101 HydrophobicContact CG-CE1 4.43Å; Y90-F101 HydrophobicContact CG-CZ 4.12Å; Y90-F101 AromaticContact CZ-CE1 3.68Å; K99-F101 HydrophobicContact CB-CD2 4.48Å; K99-F101 HydrophobicContact CB-CE2 3.94Å; F101-K105 HydrophobicContact CB-CD 4.07Å; F101-K105 WeakPolarHBondContact CD1-O 3.47Å; F101-K105 PolarHBondContact O-NZ 2.98Å; F101-P108 HydrophobicContact CB-CB 4.5Å; F101-P108 HydrophobicContact CD1-CB 3.72Å; F101-P108 HydrophobicContact CD1-CG 4.12Å; F101-P108 HydrophobicContact CD2-CB 3.9Å; F101-P108 HydrophobicContact CE1-CB 3.75Å; F101-P108 HydrophobicContact CE1-CG 3.65Å; F101-P108 HydrophobicContact CE2-CB 3.93Å; F101-P108 HydrophobicContact CE2-CG 4.24Å; F101-P108 HydrophobicContact CG-CB 3.78Å; F101-P108 HydrophobicContact CZ-CB 3.83Å; F101-P108 HydrophobicContact CZ-CG 3.7Å
102	G	92.6	Very high	90.5	Very high	5 Å²	5	52 Å²	52	5%	0.052	27%	0.27	C	S	.	.			trans	-82.6	-132.1	-177.9	0	0	0	0	0	114.6	I100 K105 E127	I100-G102 PolarHBondContact O-N 2.62Å; G102-K105 WeakPolarHBondContact O-CD 3.23Å; G102-K105 WeakPolarHBondContact O-CE 3.19Å; G102-K105 PolarHBondContact O-NZ 3.46Å; G102-E127 VanDerWaalsContact CA-CG 3.41Å; G102-E127 VanDerWaalsContact CA-OE1 3.26Å; G102-E127 WeakPolarHBondContact CA-OE1 3.29Å
103	I	87.3	Confident	90.2	Very high	52 Å²	52	52.9 Å²	52.9	27%	0.267	28%	0.284	S	S	.	.	S	Bend	trans	-66.7	-49	178.1	-63.9	165.8	0	0	0	111.7	E127 K130 L131 M134 P141	I103-E127 PolarHBondContact N-OE1 3.45Å; I103-K130 HydrophobicContact CD1-CB 4.19Å; I103-L131 HydrophobicContact CG1-CB 4.25Å; I103-L131 HydrophobicContact CG1-CD1 3.86Å; I103-M134 HydrophobicContact CB-SD 4.41Å; I103-M134 HydrophobicContact CD1-CB 4.05Å; I103-M134 HydrophobicContact CD1-CE 4.39Å; I103-M134 HydrophobicContact CD1-CG 4.5Å; I103-M134 HydrophobicContact CD1-SD 3.84Å; I103-M134 HydrophobicContact CG1-CE 4.25Å; I103-M134 HydrophobicContact CG1-SD 4.14Å; I103-M134 HydrophobicContact CG2-CE 4Å; I103-M134 HydrophobicContact CG2-SD 3.39Å; I103-M134 WeakPolarHBondContact CG2-SD 3.45Å; I103-P141 HydrophobicContact CG2-CB 4.32Å
104	D	87.3	Confident	90	Very high	74 Å²	74	47.3 Å²	47.3	40%	0.396	27%	0.27	S	S	.	.			trans	-92.9	102	175.6	-174	-5.9	0	0	0	109.7	N106 K107	D104-N106 PolarHBondContact O-N 3.4Å; D104-N106 WeakPolarHBondContact OD1-CB 3.34Å; D104-N106 PolarHBondContact OD1-N 2.82Å; D104-K107 CarbonylContact O-C 3.52Å; D104-K107 PolarHBondContact O-N 2.86Å
105	K	87.4	Confident	89.9	Confident	18 Å²	18	52 Å²	52	8%	0.078	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-23	-178.7	-59.5	-58.8	-168.8	-158.5	0	113.5	V36 I37 S39 T41 F101 G102 K107	V36-K105 WeakPolarHBondContact O-CD 3.49Å; V36-K105 VanDerWaalsContact O-CE 3.27Å; V36-K105 WeakPolarHBondContact O-CE 3.19Å; I37-K105 HydrophobicContact CD1-CB 4Å; I37-K105 HydrophobicContact CG2-CB 4.18Å; I37-K105 WeakPolarHBondContact O-CG 3.47Å; S39-K105 WeakPolarHBondContact O-CE 3.37Å; T41-K105 PolarHBondContact O-NZ 3.34Å; F101-K105 HydrophobicContact CB-CD 4.07Å; F101-K105 WeakPolarHBondContact CD1-O 3.47Å; F101-K105 PolarHBondContact O-NZ 2.98Å; G102-K105 WeakPolarHBondContact O-CD 3.23Å; G102-K105 WeakPolarHBondContact O-CE 3.19Å; G102-K105 PolarHBondContact O-NZ 3.46Å; K105-K107 VanDerWaalsContact C-N 3.32Å
106	N	83.1	Confident	89.9	Confident	118 Å²	118	52.1 Å²	52.1	63%	0.631	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-15.2	-179.5	-59.1	-55.3	0	0	0	112.3	D104 P108	D104-N106 PolarHBondContact O-N 3.4Å; D104-N106 WeakPolarHBondContact OD1-CB 3.34Å; D104-N106 PolarHBondContact OD1-N 2.82Å; N106-P108 VanDerWaalsContact C-CD 3.45Å
107	K	86.1	Confident	90	Very high	162 Å²	162	52 Å²	52	70%	0.704	28%	0.284	S	S	*	.	S	Bend	trans	-127.9	63.6	179.7	-66.4	-178.5	-178	174.7	0	110.6	D104 K105	D104-K107 CarbonylContact O-C 3.52Å; D104-K107 PolarHBondContact O-N 2.86Å; K105-K107 VanDerWaalsContact C-N 3.32Å
108	P	91.8	Very high	89.9	Confident	21 Å²	21	56.1 Å²	56.1	14%	0.136	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-62.8	148.7	177.1	32.5	-38.4	0	0	0	110.5	Y90 K99 I100 F101 N106	Y90-P108 HydrophobicContact CD1-CG 3.51Å; Y90-P108 HydrophobicContact CE1-CG 4.13Å; Y90-P108 HydrophobicContact CG-CG 4.1Å; K99-P108 HydrophobicContact CB-CB 4.07Å; K99-P108 HydrophobicContact CB-CG 4.39Å; K99-P108 HydrophobicContact CD-CG 4.09Å; I100-P108 CarbonylContact O-C 3.59Å; I100-P108 VanDerWaalsContact O-CA 3.3Å; I100-P108 WeakPolarHBondContact O-CA 3Å; I100-P108 WeakPolarHBondContact O-CB 3.25Å; F101-P108 HydrophobicContact CB-CB 4.5Å; F101-P108 HydrophobicContact CD1-CB 3.72Å; F101-P108 HydrophobicContact CD1-CG 4.12Å; F101-P108 HydrophobicContact CD2-CB 3.9Å; F101-P108 HydrophobicContact CE1-CB 3.75Å; F101-P108 HydrophobicContact CE1-CG 3.65Å; F101-P108 HydrophobicContact CE2-CB 3.93Å; F101-P108 HydrophobicContact CE2-CG 4.24Å; F101-P108 HydrophobicContact CG-CB 3.78Å; F101-P108 HydrophobicContact CZ-CB 3.83Å; F101-P108 HydrophobicContact CZ-CG 3.7Å; N106-P108 VanDerWaalsContact C-CD 3.45Å
109	T	89	Confident	89.7	Confident	75 Å²	75	56.9 Å²	56.9	46%	0.46	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	134.3	179.4	-56.7	0	0	0	0	109.8	K99 I100 F111	K99-T109 CarbonylContact C-O 3.56Å; K99-T109 WeakPolarHBondContact CA-O 3.16Å; I100-T109 PolarHBondContact N-O 2.99Å; I100-T109 PolarHBondContact O-N 3.16Å; T109-F111 PolarHBondContact O-N 3.4Å
110	D	89.9	Confident	89.7	Confident	75 Å²	75	56.6 Å²	56.6	40%	0.401	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	126.5	173.1	-71.3	-17.2	0	0	0	110.5	K99 Q112	K99-D110 IonicContact NZ-OD1 3.84Å; K99-D110 PolarHBondContact NZ-OD1 3.02Å; K99-D110 IonicContact NZ-OD2 3.91Å; D110-Q112 HydrophobicContact CB-CG 4.37Å; D110-Q112 PolarHBondContact O-N 3.23Å
111	F	91	Very high	89.6	Confident	27 Å²	27	57.5 Å²	57.5	12%	0.118	31%	0.312	C	S	.	.			trans	-83.4	113.9	173.6	175.8	-100.7	0	0	0	109.8	V98 I100 T109 G114 A119 L120 A123	V98-F111 HydrophobicContact CB-CB 3.89Å; V98-F111 HydrophobicContact CB-CD1 4.06Å; V98-F111 HydrophobicContact CB-CG 4.37Å; V98-F111 HydrophobicContact CG1-CB 3.76Å; V98-F111 HydrophobicContact CG1-CD1 4.18Å; V98-F111 HydrophobicContact CG1-CG 4.19Å; V98-F111 PolarHBondContact O-N 3.46Å; I100-F111 HydrophobicContact CD1-CD2 4.38Å; I100-F111 HydrophobicContact CG1-CB 4.48Å; T109-F111 PolarHBondContact O-N 3.4Å; F111-G114 WeakPolarHBondContact CZ-O 3.35Å; F111-A119 HydrophobicContact CE2-CB 4.34Å; F111-A119 WeakPolarHBondContact CE2-O 3.49Å; F111-A119 HydrophobicContact CZ-CB 3.83Å; F111-L120 HydrophobicContact CD1-CD2 3.67Å; F111-L120 HydrophobicContact CD2-CD2 4.25Å; F111-L120 HydrophobicContact CE1-CD2 3.5Å; F111-L120 HydrophobicContact CE1-CG 4.03Å; F111-L120 HydrophobicContact CE2-CD2 4.11Å; F111-L120 HydrophobicContact CG-CD2 4.04Å; F111-L120 HydrophobicContact CZ-CD2 3.73Å; F111-L120 HydrophobicContact CZ-CG 3.96Å; F111-A123 HydrophobicContact CD2-CB 3.82Å; F111-A123 HydrophobicContact CE2-CB 3.82Å
112	Q	84.8	Confident	89.5	Confident	123 Å²	123	61.2 Å²	61.2	58%	0.575	33%	0.332	S	S	*	.			trans	-115.2	8.6	-177.1	-59.7	-65.3	-27.5	0	0	112.5	D110 N190	D110-Q112 HydrophobicContact CB-CG 4.37Å; D110-Q112 PolarHBondContact O-N 3.23Å; Q112-N190 WeakPolarHBondContact CB-ND2 3.35Å; Q112-N190 WeakPolarHBondContact CG-ND2 3.36Å
113	G	80.8	Confident	89.5	Confident	41 Å²	41	62.2 Å²	62.2	42%	0.423	34%	0.341	S	S	.	.	S	Bend	trans	-71.4	176.4	177.5	0	0	0	0	0	112.6
114	G	83.4	Confident	89.9	Confident	45 Å²	45	59.8 Å²	59.8	46%	0.464	33%	0.328	S	S	.	.			trans	-55.2	144.2	171.3	0	0	0	0	0	111	F111 T116 A119	F111-G114 WeakPolarHBondContact CZ-O 3.35Å; G114-T116 PolarHBondContact O-N 3.29Å; G114-A119 WeakPolarHBondContact O-CB 3.45Å
115	R	88.4	Confident	90.3	Very high	130 Å²	130	59.5 Å²	59.5	49%	0.491	33%	0.326	S	S	.	.	S	Bend	trans	-75.1	51.6	177.6	-72.7	-176	175.6	142.1	-3.9	111.8	F58	F58-R115 HydrophobicContact CD2-CB 3.61Å; F58-R115 HydrophobicContact CD2-CG 4.11Å; F58-R115 HydrophobicContact CE2-CB 3.77Å; F58-R115 HydrophobicContact CE2-CG 4.17Å; F58-R115 HydrophobicContact CG-CB 4.44Å
116	T	92.6	Very high	90.5	Very high	65 Å²	65	62.8 Å²	62.8	40%	0.399	34%	0.344	S	S	.	.	S	Bend	trans	-120.7	155.5	179.7	69	0	0	0	0	110.5	E61 G114 Q118 A119 L120	E61-T116 WeakPolarHBondContact OE2-CA 3.37Å; G114-T116 PolarHBondContact O-N 3.29Å; T116-Q118 VanDerWaalsContact C-N 3.28Å; T116-Q118 PolarHBondContact O-N 2.88Å; T116-A119 PolarHBondContact O-N 3.48Å; T116-A119 PolarHBondContact OG1-N 3.01Å; T116-L120 PolarHBondContact O-N 2.63Å
117	A	93.9	Very high	90.9	Very high	6 Å²	6	58.1 Å²	58.1	5%	0.05	32%	0.318	C	S	.	.	H	α-helix	trans	-61.1	-39.1	178.6	0	0	0	0	0	111.9	E61 K64 A65 L120 V121	E61-A117 WeakPolarHBondContact O-CB 3.33Å; E61-A117 WeakPolarHBondContact OE2-CB 3.5Å; E61-A117 PolarHBondContact OE2-N 2.88Å; K64-A117 HydrophobicContact CB-CB 3.92Å; K64-A117 HydrophobicContact CD-CB 3.79Å; K64-A117 HydrophobicContact CG-CB 3.74Å; A65-A117 HydrophobicContact CB-CB 4.22Å; A117-L120 PolarHBondContact O-N 3.45Å; A117-V121 VanDerWaalsContact O-CG2 3.24Å; A117-V121 WeakPolarHBondContact O-CG2 3.16Å; A117-V121 PolarHBondContact O-N 2.07Å
118	Q	93.2	Very high	91.3	Very high	118 Å²	118	51.8 Å²	51.8	55%	0.551	29%	0.294	S	S	*	.	H	α-helix	trans	-62.6	-48.1	-179.6	-173.3	59.9	50.3	0	0	111.5	T116 L120 V121 D122	T116-Q118 VanDerWaalsContact C-N 3.28Å; T116-Q118 PolarHBondContact O-N 2.88Å; Q118-L120 VanDerWaalsContact C-N 3.3Å; Q118-L120 PolarHBondContact O-N 2.46Å; Q118-V121 PolarHBondContact O-N 3.12Å; Q118-V121 VanDerWaalsContact O-N 3.14Å; Q118-D122 VanDerWaalsContact NE2-CG 3.31Å; Q118-D122 PolarHBondContact NE2-OD1 3.17Å; Q118-D122 PolarHBondContact NE2-OD2 2.91Å; Q118-D122 VanDerWaalsContact NE2-OD2 3.14Å; Q118-D122 VanDerWaalsContact O-CG 3.3Å; Q118-D122 PolarHBondContact O-N 3.34Å
119	A	93	Very high	91.3	Very high	24 Å²	24	57.4 Å²	57.4	20%	0.198	32%	0.316	C	S	.	.	H	α-helix	trans	-62.8	-37.7	-179.7	0	0	0	0	0	112.2	F111 G114 T116 A123	F111-A119 HydrophobicContact CE2-CB 4.34Å; F111-A119 WeakPolarHBondContact CE2-O 3.49Å; F111-A119 HydrophobicContact CZ-CB 3.83Å; G114-A119 WeakPolarHBondContact O-CB 3.45Å; T116-A119 PolarHBondContact O-N 3.48Å; T116-A119 PolarHBondContact OG1-N 3.01Å; A119-A123 WeakPolarHBondContact O-CB 3.5Å; A119-A123 PolarHBondContact O-N 3.41Å; A119-A123 VanDerWaalsContact O-N 3.11Å
120	L	94.6	Very high	91.4	Very high	1 Å²	1	59.2 Å²	59.2	1%	0.005	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-44	173.5	-70.8	166.7	0	0	0	112	V44 F58 F62 A65 V98 F111 T116 A117 Q118 A124	V44-L120 HydrophobicContact CG1-CD2 4.27Å; F58-L120 HydrophobicContact CE2-CD1 3.97Å; F58-L120 HydrophobicContact CZ-CD1 3.74Å; F58-L120 HydrophobicContact CZ-CD2 4.34Å; F58-L120 HydrophobicContact CZ-CG 4.43Å; F62-L120 HydrophobicContact CD2-CD1 3.8Å; F62-L120 HydrophobicContact CE2-CD1 4.49Å; A65-L120 HydrophobicContact CB-CB 3.84Å; A65-L120 HydrophobicContact CB-CD1 3.67Å; A65-L120 HydrophobicContact CB-CG 4.45Å; V98-L120 HydrophobicContact CG1-CD2 3.98Å; F111-L120 HydrophobicContact CD1-CD2 3.67Å; F111-L120 HydrophobicContact CD2-CD2 4.25Å; F111-L120 HydrophobicContact CE1-CD2 3.5Å; F111-L120 HydrophobicContact CE1-CG 4.03Å; F111-L120 HydrophobicContact CE2-CD2 4.11Å; F111-L120 HydrophobicContact CG-CD2 4.04Å; F111-L120 HydrophobicContact CZ-CD2 3.73Å; F111-L120 HydrophobicContact CZ-CG 3.96Å; T116-L120 PolarHBondContact O-N 2.63Å; A117-L120 PolarHBondContact O-N 3.45Å; Q118-L120 VanDerWaalsContact C-N 3.3Å; Q118-L120 PolarHBondContact O-N 2.46Å; L120-A124 VanDerWaalsContact O-CB 3.23Å; L120-A124 WeakPolarHBondContact O-CB 3.39Å; L120-A124 PolarHBondContact O-N 2.88Å
121	V	96.1	Very high	91.4	Very high	27 Å²	27	56.4 Å²	56.4	16%	0.164	30%	0.302	C	S	.	.	H	α-helix	trans	-61	-49.4	178	168.6	0	0	0	0	110.3	A68 L69 A117 Q118 A123 A124 I125	A68-V121 HydrophobicContact CB-CG2 3.97Å; L69-V121 HydrophobicContact CD1-CG2 4.5Å; L69-V121 HydrophobicContact CD2-CB 4.5Å; L69-V121 HydrophobicContact CD2-CG1 4.3Å; L69-V121 HydrophobicContact CD2-CG2 4.27Å; L69-V121 HydrophobicContact CG-CG2 4.08Å; A117-V121 VanDerWaalsContact O-CG2 3.24Å; A117-V121 WeakPolarHBondContact O-CG2 3.16Å; A117-V121 PolarHBondContact O-N 2.07Å; Q118-V121 PolarHBondContact O-N 3.12Å; Q118-V121 VanDerWaalsContact O-N 3.14Å; V121-A123 VanDerWaalsContact C-N 3.35Å; V121-A123 PolarHBondContact O-N 3.5Å; V121-A124 PolarHBondContact O-N 3.28Å; V121-I125 HydrophobicContact CG1-CG1 4.16Å; V121-I125 WeakPolarHBondContact O-CB 3.47Å; V121-I125 VanDerWaalsContact O-CG1 3.29Å; V121-I125 WeakPolarHBondContact O-CG1 3.29Å; V121-I125 PolarHBondContact O-N 2.98Å
122	D	93.1	Very high	91.4	Very high	78 Å²	78	58.3 Å²	58.3	42%	0.417	32%	0.316	S	S	.	.	H	α-helix	trans	-62.1	-43.6	-178.4	-65	-28.1	0	0	0	111.6	Q118 A124 N126	Q118-D122 VanDerWaalsContact NE2-CG 3.31Å; Q118-D122 PolarHBondContact NE2-OD1 3.17Å; Q118-D122 PolarHBondContact NE2-OD2 2.91Å; Q118-D122 VanDerWaalsContact NE2-OD2 3.14Å; Q118-D122 VanDerWaalsContact O-CG 3.3Å; Q118-D122 PolarHBondContact O-N 3.34Å; D122-A124 PolarHBondContact O-N 3.46Å; D122-N126 WeakPolarHBondContact O-CB 3.48Å; D122-N126 VanDerWaalsContact O-CG 3.28Å; D122-N126 PolarHBondContact O-N 3.46Å; D122-N126 PolarHBondContact O-ND2 2.91Å; D122-N126 VanDerWaalsContact O-ND2 3.09Å
123	A	92.6	Very high	91.5	Very high	27 Å²	27	57.3 Å²	57.3	22%	0.223	31%	0.311	C	S	.	.	H	α-helix	trans	-62.9	-41.9	176	0	0	0	0	0	112.1	I100 F111 A119 V121 E127	I100-A123 HydrophobicContact CD1-CB 3.56Å; F111-A123 HydrophobicContact CD2-CB 3.82Å; F111-A123 HydrophobicContact CE2-CB 3.82Å; A119-A123 WeakPolarHBondContact O-CB 3.5Å; A119-A123 PolarHBondContact O-N 3.41Å; A119-A123 VanDerWaalsContact O-N 3.11Å; V121-A123 VanDerWaalsContact C-N 3.35Å; V121-A123 PolarHBondContact O-N 3.5Å; A123-E127 PolarHBondContact O-N 2.94Å
124	A	95	Very high	91.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-67.4	-44.3	178.8	0	0	0	0	0	112.6	V44 L69 V73 L120 V121 D122 N126 E127 V128	V44-A124 HydrophobicContact CG2-CB 3.88Å; L69-A124 HydrophobicContact CD1-CB 3.7Å; L69-A124 HydrophobicContact CD2-CB 3.96Å; V73-A124 HydrophobicContact CB-CB 4.45Å; V73-A124 HydrophobicContact CG1-CB 4.19Å; V73-A124 HydrophobicContact CG2-CB 4.12Å; L120-A124 VanDerWaalsContact O-CB 3.23Å; L120-A124 WeakPolarHBondContact O-CB 3.39Å; L120-A124 PolarHBondContact O-N 2.88Å; V121-A124 PolarHBondContact O-N 3.28Å; D122-A124 PolarHBondContact O-N 3.46Å; A124-N126 VanDerWaalsContact C-N 3.32Å; A124-N126 PolarHBondContact O-N 3.44Å; A124-E127 PolarHBondContact O-N 3.01Å; A124-E127 VanDerWaalsContact O-N 3.16Å; A124-V128 WeakPolarHBondContact O-CG2 3.5Å; A124-V128 PolarHBondContact O-N 3.43Å
125	I	95.5	Very high	91.9	Very high	69 Å²	69	60.5 Å²	60.5	35%	0.354	30%	0.298	S	S	.	.	H	α-helix	trans	-64.8	-36.6	177.7	-66.3	-61	0	0	0	111.3	L69 I72 V121 E127 V128 K129	L69-I125 HydrophobicContact CD2-CD1 4.23Å; L69-I125 HydrophobicContact CD2-CG1 4.44Å; I72-I125 HydrophobicContact CG2-CD1 3.88Å; V121-I125 HydrophobicContact CG1-CG1 4.16Å; V121-I125 WeakPolarHBondContact O-CB 3.47Å; V121-I125 VanDerWaalsContact O-CG1 3.29Å; V121-I125 WeakPolarHBondContact O-CG1 3.29Å; V121-I125 PolarHBondContact O-N 2.98Å; I125-E127 VanDerWaalsContact C-N 3.29Å; I125-E127 PolarHBondContact O-N 3.42Å; I125-V128 WeakPolarHBondContact O-CB 3.47Å; I125-V128 PolarHBondContact O-N 2.96Å; I125-K129 PolarHBondContact O-N 3.27Å
126	N	91.8	Very high	91.7	Very high	87 Å²	87	60.4 Å²	60.4	47%	0.465	31%	0.306	S	S	.	.	H	α-helix	trans	-60.6	-39	173.4	-79.5	-34.5	0	0	0	112.2	D122 A124 K129 K130	D122-N126 WeakPolarHBondContact O-CB 3.48Å; D122-N126 VanDerWaalsContact O-CG 3.28Å; D122-N126 PolarHBondContact O-N 3.46Å; D122-N126 PolarHBondContact O-ND2 2.91Å; D122-N126 VanDerWaalsContact O-ND2 3.09Å; A124-N126 VanDerWaalsContact C-N 3.32Å; A124-N126 PolarHBondContact O-N 3.44Å; N126-K129 WeakPolarHBondContact O-CB 3.29Å; N126-K129 PolarHBondContact O-N 3.04Å; N126-K130 WeakPolarHBondContact O-CG 3.36Å; N126-K130 PolarHBondContact O-N 3.42Å; N126-K130 VanDerWaalsContact O-N 3.14Å
127	E	92.9	Very high	91.3	Very high	19 Å²	19	62.2 Å²	62.2	9%	0.089	32%	0.317	C	S	.	.	H	α-helix	trans	-71.1	-36	176.1	-163.8	57.6	-150.8	0	0	112.2	V42 I100 G102 I103 A123 A124 I125 K129 K130 L131	V42-E127 HydrophobicContact CG1-CB 3.96Å; V42-E127 HydrophobicContact CG1-CG 3.91Å; V42-E127 HydrophobicContact CG2-CB 4.28Å; V42-E127 HydrophobicContact CG2-CG 4Å; I100-E127 HydrophobicContact CG2-CB 4.12Å; I100-E127 HydrophobicContact CG2-CG 4.08Å; G102-E127 VanDerWaalsContact CA-CG 3.41Å; G102-E127 VanDerWaalsContact CA-OE1 3.26Å; G102-E127 WeakPolarHBondContact CA-OE1 3.29Å; I103-E127 PolarHBondContact N-OE1 3.45Å; A123-E127 PolarHBondContact O-N 2.94Å; A124-E127 PolarHBondContact O-N 3.01Å; A124-E127 VanDerWaalsContact O-N 3.16Å; I125-E127 VanDerWaalsContact C-N 3.29Å; I125-E127 PolarHBondContact O-N 3.42Å; E127-K129 VanDerWaalsContact C-N 3.33Å; E127-K129 PolarHBondContact O-N 3.01Å; E127-K130 PolarHBondContact O-N 3.18Å; E127-K130 WeakPolarHBondContact OE2-CD 3.41Å; E127-K130 WeakPolarHBondContact OE2-CE 3.39Å; E127-K130 IonicContact OE2-NZ 2.73Å; E127-K130 PolarHBondContact OE2-NZ 2.96Å; E127-L131 PolarHBondContact O-N 3.34Å
128	V	94.2	Very high	90.5	Very high	30 Å²	30	64.8 Å²	64.8	18%	0.182	35%	0.345	C	S	.	.	H	α-helix	trans	-60.9	-43.3	170.7	174.1	0	0	0	0	110.9	V42 I72 V73 A124 I125 K130 L131 V132	V42-V128 HydrophobicContact CB-CG2 4.22Å; V42-V128 HydrophobicContact CG2-CG2 3.91Å; I72-V128 HydrophobicContact CG2-CG2 4.34Å; V73-V128 HydrophobicContact CG2-CG2 3.32Å; A124-V128 WeakPolarHBondContact O-CG2 3.5Å; A124-V128 PolarHBondContact O-N 3.43Å; I125-V128 WeakPolarHBondContact O-CB 3.47Å; I125-V128 PolarHBondContact O-N 2.96Å; V128-K130 VanDerWaalsContact C-N 3.33Å; V128-K130 PolarHBondContact O-N 3.37Å; V128-L131 WeakPolarHBondContact O-CB 3.24Å; V128-L131 PolarHBondContact O-N 2.87Å; V128-L131 VanDerWaalsContact O-N 3.16Å; V128-V132 HydrophobicContact CG1-CG2 4.24Å; V128-V132 WeakPolarHBondContact O-CG2 3.42Å; V128-V132 PolarHBondContact O-N 2.77Å
129	K	92.6	Very high	89.3	Confident	138 Å²	138	66.1 Å²	66.1	60%	0.6	35%	0.345	S	S	*	.	H	α-helix	trans	-58.2	-44	176.6	-174.7	179.8	178.7	-179.5	0	111.4	I125 N126 E127 V132 Q133	I125-K129 PolarHBondContact O-N 3.27Å; N126-K129 WeakPolarHBondContact O-CB 3.29Å; N126-K129 PolarHBondContact O-N 3.04Å; E127-K129 VanDerWaalsContact C-N 3.33Å; E127-K129 PolarHBondContact O-N 3.01Å; K129-V132 PolarHBondContact O-N 3.42Å; K129-Q133 VanDerWaalsContact O-CG 3.29Å; K129-Q133 WeakPolarHBondContact O-CG 3.23Å; K129-Q133 PolarHBondContact O-N 3.14Å
130	K	89.8	Confident	87.8	Confident	113 Å²	113	74.7 Å²	74.7	49%	0.491	37%	0.372	S	S	.	.	H	α-helix	trans	-61.3	-45.5	174.7	-65.3	178.7	-157.6	158.6	0	111.7	I103 N126 E127 V128 V132 Q133 M134	I103-K130 HydrophobicContact CD1-CB 4.19Å; N126-K130 WeakPolarHBondContact O-CG 3.36Å; N126-K130 PolarHBondContact O-N 3.42Å; N126-K130 VanDerWaalsContact O-N 3.14Å; E127-K130 PolarHBondContact O-N 3.18Å; E127-K130 WeakPolarHBondContact OE2-CD 3.41Å; E127-K130 WeakPolarHBondContact OE2-CE 3.39Å; E127-K130 IonicContact OE2-NZ 2.73Å; E127-K130 PolarHBondContact OE2-NZ 2.96Å; V128-K130 VanDerWaalsContact C-N 3.33Å; V128-K130 PolarHBondContact O-N 3.37Å; K130-V132 VanDerWaalsContact C-N 3.35Å; K130-V132 PolarHBondContact O-N 3.02Å; K130-Q133 PolarHBondContact O-N 2.93Å; K130-M134 PolarHBondContact O-N 3.37Å
131	L	89.2	Confident	86	Confident	16 Å²	16	78.8 Å²	78.8	8%	0.084	40%	0.399	C	S	.	.	H	α-helix	trans	-59.8	-44.2	178	-179.2	66.1	0	0	0	111.7	V42 I103 E127 V128 M134 R135	V42-L131 HydrophobicContact CG2-CD2 4.04Å; I103-L131 HydrophobicContact CG1-CB 4.25Å; I103-L131 HydrophobicContact CG1-CD1 3.86Å; E127-L131 PolarHBondContact O-N 3.34Å; V128-L131 WeakPolarHBondContact O-CB 3.24Å; V128-L131 PolarHBondContact O-N 2.87Å; V128-L131 VanDerWaalsContact O-N 3.16Å; L131-M134 HydrophobicContact CD1-CE 3.75Å; L131-M134 PolarHBondContact O-N 2.85Å; L131-R135 VanDerWaalsContact O-CG 3.3Å; L131-R135 WeakPolarHBondContact O-CG 3.43Å; L131-R135 PolarHBondContact O-N 3.16Å
132	V	91.5	Very high	84.1	Confident	68 Å²	68	80.1 Å²	80.1	41%	0.412	42%	0.418	S	S	.	.	H	α-helix	trans	-63.2	-45.8	176.6	171.5	0	0	0	0	111.1	V128 K129 K130 M134 R135 L136	V128-V132 HydrophobicContact CG1-CG2 4.24Å; V128-V132 WeakPolarHBondContact O-CG2 3.42Å; V128-V132 PolarHBondContact O-N 2.77Å; K129-V132 PolarHBondContact O-N 3.42Å; K130-V132 VanDerWaalsContact C-N 3.35Å; K130-V132 PolarHBondContact O-N 3.02Å; V132-M134 PolarHBondContact O-N 3.28Å; V132-R135 PolarHBondContact O-N 3.41Å; V132-R135 VanDerWaalsContact O-N 3.16Å; V132-L136 HydrophobicContact CG1-CD1 4.09Å; V132-L136 HydrophobicContact CG1-CG 4.36Å; V132-L136 WeakPolarHBondContact O-CG 3.44Å; V132-L136 PolarHBondContact O-N 3.19Å
133	Q	86.6	Confident	82	Confident	102 Å²	102	79.8 Å²	79.8	48%	0.477	43%	0.426	S	S	.	.	H	α-helix	trans	-62.4	-41.2	178.2	-72.9	-65.5	-17.5	0	0	112.7	K129 K130 R135 L136 T137	K129-Q133 VanDerWaalsContact O-CG 3.29Å; K129-Q133 WeakPolarHBondContact O-CG 3.23Å; K129-Q133 PolarHBondContact O-N 3.14Å; K130-Q133 PolarHBondContact O-N 2.93Å; Q133-R135 VanDerWaalsContact C-N 3.33Å; Q133-R135 PolarHBondContact O-N 3.04Å; Q133-L136 PolarHBondContact O-N 2.95Å; Q133-T137 WeakPolarHBondContact O-CG2 2.92Å; Q133-T137 PolarHBondContact O-N 3.09Å; Q133-T137 VanDerWaalsContact O-N 3.1Å; Q133-T137 PolarHBondContact O-OG1 3.11Å
134	M	84.8	Confident	79.7	Confident	23 Å²	23	83.4 Å²	83.4	11%	0.113	44%	0.442	C	S	.	.	H	α-helix	trans	-61.5	-41.9	173.5	-178.9	-163.7	68.8	0	0	111.5	I103 K130 L131 V132 T137 G138 R139 P141	I103-M134 HydrophobicContact CB-SD 4.41Å; I103-M134 HydrophobicContact CD1-CB 4.05Å; I103-M134 HydrophobicContact CD1-CE 4.39Å; I103-M134 HydrophobicContact CD1-CG 4.5Å; I103-M134 HydrophobicContact CD1-SD 3.84Å; I103-M134 HydrophobicContact CG1-CE 4.25Å; I103-M134 HydrophobicContact CG1-SD 4.14Å; I103-M134 HydrophobicContact CG2-CE 4Å; I103-M134 HydrophobicContact CG2-SD 3.39Å; I103-M134 WeakPolarHBondContact CG2-SD 3.45Å; K130-M134 PolarHBondContact O-N 3.37Å; L131-M134 HydrophobicContact CD1-CE 3.75Å; L131-M134 PolarHBondContact O-N 2.85Å; V132-M134 PolarHBondContact O-N 3.28Å; M134-T137 PolarHBondContact O-N 3.41Å; M134-T137 PolarHBondContact O-OG1 3.35Å; M134-G138 PolarHBondContact O-N 3.39Å; M134-R139 HydrophobicContact CG-CB 3.98Å; M134-R139 WeakPolarHBondContact CG-O 3.43Å; M134-R139 PolarHBondContact O-N 3.14Å; M134-P141 HydrophobicContact CE-CG 3.73Å; M134-P141 HydrophobicContact SD-CG 4.24Å
135	R	88	Confident	77.1	Confident	129 Å²	129	88.4 Å²	88.4	49%	0.487	48%	0.476	S	S	.	.	H	α-helix	trans	-66	-40.3	177	-71.9	172.2	179	-165.8	-5.2	112.1	D40 L131 V132 Q133 T137 G138	D40-R135 PolarHBondContact O-NH2 3.49Å; D40-R135 IonicContact OD2-CZ 2.61Å; D40-R135 IonicContact OD2-NH2 3.38Å; D40-R135 PolarHBondContact OD2-NH2 3.45Å; L131-R135 VanDerWaalsContact O-CG 3.3Å; L131-R135 WeakPolarHBondContact O-CG 3.43Å; L131-R135 PolarHBondContact O-N 3.16Å; V132-R135 PolarHBondContact O-N 3.41Å; V132-R135 VanDerWaalsContact O-N 3.16Å; Q133-R135 VanDerWaalsContact C-N 3.33Å; Q133-R135 PolarHBondContact O-N 3.04Å; R135-T137 VanDerWaalsContact C-N 3.3Å; R135-T137 PolarHBondContact O-N 2.86Å; R135-G138 PolarHBondContact O-N 3.27Å
136	L	83.8	Confident	74.2	Confident	129 Å²	129	95 Å²	95	68%	0.675	50%	0.502	S	S	*	.	H	α-helix	trans	-62.2	-36.3	176.4	-75.4	173	0	0	0	112.6	V132 Q133 G138	V132-L136 HydrophobicContact CG1-CD1 4.09Å; V132-L136 HydrophobicContact CG1-CG 4.36Å; V132-L136 WeakPolarHBondContact O-CG 3.44Å; V132-L136 PolarHBondContact O-N 3.19Å; Q133-L136 PolarHBondContact O-N 2.95Å; L136-G138 VanDerWaalsContact C-N 3.27Å; L136-G138 PolarHBondContact O-N 2.91Å
137	T	85	Confident	71.3	Confident	102 Å²	102	100.3 Å²	100.3	63%	0.626	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	0.5	179.3	53.7	0	0	0	0	113.7	Q133 M134 R135 R139	Q133-T137 WeakPolarHBondContact O-CG2 2.92Å; Q133-T137 PolarHBondContact O-N 3.09Å; Q133-T137 VanDerWaalsContact O-N 3.1Å; Q133-T137 PolarHBondContact O-OG1 3.11Å; M134-T137 PolarHBondContact O-N 3.41Å; M134-T137 PolarHBondContact O-OG1 3.35Å; R135-T137 VanDerWaalsContact C-N 3.3Å; R135-T137 PolarHBondContact O-N 2.86Å; T137-R139 PolarHBondContact O-N 3.38Å
138	G	77.6	Confident	68.4	Low	61 Å²	61	105.3 Å²	105.3	63%	0.629	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.9	11.7	-179.5	0	0	0	0	0	114.4	M134 R135 L136 R140	M134-G138 PolarHBondContact O-N 3.39Å; R135-G138 PolarHBondContact O-N 3.27Å; L136-G138 VanDerWaalsContact C-N 3.27Å; L136-G138 PolarHBondContact O-N 2.91Å; G138-R140 PolarHBondContact O-N 2.96Å
139	R	66.8	Low	65.5	Low	146 Å²	146	108.1 Å²	108.1	55%	0.551	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-77.1	126.2	-178.8	-159.4	176	-164.6	128.5	-3.2	109.5	M134 T137 D144	M134-R139 HydrophobicContact CG-CB 3.98Å; M134-R139 WeakPolarHBondContact CG-O 3.43Å; M134-R139 PolarHBondContact O-N 3.14Å; T137-R139 PolarHBondContact O-N 3.38Å; R139-D144 IonicContact CZ-OD2 3.41Å; R139-D144 IonicContact NE-OD2 2.75Å; R139-D144 PolarHBondContact NE-OD2 2.97Å; R139-D144 IonicContact NH2-OD1 3.51Å; R139-D144 PolarHBondContact NH2-OD1 3.43Å; R139-D144 IonicContact NH2-OD2 2.73Å; R139-D144 PolarHBondContact NH2-OD2 2.84Å
140	R	63.1	Low	62.5	Low	203 Å²	203	106.5 Å²	106.5	77%	0.766	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-79.9	137.9	176.3	-73.9	-178.1	170.2	158	-2.2	110.6	G138 G142 A143	G138-R140 PolarHBondContact O-N 2.96Å; R140-G142 PolarHBondContact O-N 2.74Å; R140-A143 HydrophobicContact CB-CB 4.33Å; R140-A143 PolarHBondContact O-N 3.42Å
141	P	56.4	Low	59.7	Low	88 Å²	88	106.9 Å²	106.9	57%	0.571	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.8	124.7	167.3	-17.9	27.6	0	0	0	109.5	I103 M134	I103-P141 HydrophobicContact CG2-CB 4.32Å; M134-P141 HydrophobicContact CE-CG 3.73Å; M134-P141 HydrophobicContact SD-CG 4.24Å
142	G	55.3	Low	57	Low	55 Å²	55	109.3 Å²	109.3	57%	0.567	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	91.7	-2.9	175.9	0	0	0	0	0	117.3	R140 D144 S145	R140-G142 PolarHBondContact O-N 2.74Å; G142-D144 PolarHBondContact O-N 3.1Å; G142-D144 VanDerWaalsContact O-N 3.1Å; G142-S145 PolarHBondContact O-N 3.11Å; G142-S145 PolarHBondContact O-OG 2.95Å
143	A	50.1	Low	54.3	Low	71 Å²	71	110 Å²	110	59%	0.587	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-6.4	-178.9	0	0	0	0	0	115.2	R140	R140-A143 HydrophobicContact CB-CB 4.33Å; R140-A143 PolarHBondContact O-N 3.42Å
144	D	43.9	Very low	52.8	Low	103 Å²	103	107.6 Å²	107.6	55%	0.551	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.7	28.5	179.8	-60.5	-75	0	0	0	113.9	R139 G142 K146	R139-D144 IonicContact CZ-OD2 3.41Å; R139-D144 IonicContact NE-OD2 2.75Å; R139-D144 PolarHBondContact NE-OD2 2.97Å; R139-D144 IonicContact NH2-OD1 3.51Å; R139-D144 PolarHBondContact NH2-OD1 3.43Å; R139-D144 IonicContact NH2-OD2 2.73Å; R139-D144 PolarHBondContact NH2-OD2 2.84Å; G142-D144 PolarHBondContact O-N 3.1Å; G142-D144 VanDerWaalsContact O-N 3.1Å; D144-K146 PolarHBondContact O-N 3.49Å; D144-K146 VanDerWaalsContact O-N 3.17Å
145	S	41.3	Very low	52.1	Low	104 Å²	104	115.3 Å²	115.3	73%	0.727	66%	0.662	S	S	*	*			trans	-82.6	24.3	-179.1	52.5	0	0	0	0	115.1	G142	G142-S145 PolarHBondContact O-N 3.11Å; G142-S145 PolarHBondContact O-OG 2.95Å
146	K	33.2	Very low	52.3	Low	207 Å²	207	110.8 Å²	110.8	90%	0.9	65%	0.647	S	S	*	*			trans	-134.9	65.4	169.5	-83.6	-171.8	178.8	176.8	0	112.8	D144	D144-K146 PolarHBondContact O-N 3.49Å; D144-K146 VanDerWaalsContact O-N 3.17Å
147	K	31	Very low	52.9	Low	199 Å²	199	105.6 Å²	105.6	87%	0.865	62%	0.621	S	S	*	*			trans	-155.3	85.8	143.2	-131.5	177.7	-176.7	-178.9	0	110.2
148	S	33	Very low	53.4	Low	125 Å²	125	103 Å²	103	87%	0.874	60%	0.603	S	S	*	*			trans	-83.7	98.8	168.8	159.2	0	0	0	0	108.8
149	S	32.7	Very low	54.1	Low	89 Å²	89	107.3 Å²	107.3	62%	0.622	61%	0.606	S	S	*	*	S	Bend	trans	179	118.6	150.6	57.1	0	0	0	0	108.4
150	S	29.2	Very low	55.4	Low	104 Å²	104	100.3 Å²	100.3	73%	0.727	58%	0.58	S	S	*	*	S	Bend	trans	52.3	124.1	157.3	60.4	0	0	0	0	118.8
151	T	30.8	Very low	56.7	Low	120 Å²	120	92.3 Å²	92.3	74%	0.736	55%	0.554	S	S	*	*			trans	76.7	82.3	160.5	-36.1	0	0	0	0	114.7	S153	T151-S153 PolarHBondContact O-N 3.45Å
152	G	32.2	Very low	58.2	Low	68 Å²	68	90.2 Å²	90.2	70%	0.701	54%	0.538	S	S	*	.			trans	-66.4	82.7	161	0	0	0	0	0	110.1	S154	G152-S154 PolarHBondContact O-N 3.05Å; G152-S154 VanDerWaalsContact O-N 3.11Å
153	S	34.9	Very low	59.7	Low	82 Å²	82	93 Å²	93	57%	0.573	55%	0.548	S	S	*	.			trans	8.8	82.8	169.4	79.2	0	0	0	0	116.8	T151 K155	T151-S153 PolarHBondContact O-N 3.45Å; S153-K155 PolarHBondContact O-N 3.37Å
154	S	55.5	Low	61.7	Low	51 Å²	51	91.6 Å²	91.6	36%	0.357	53%	0.531	S	S	.	.			trans	-67.2	33.7	160.8	57.4	0	0	0	0	112.8	G152 D156 V157	G152-S154 PolarHBondContact O-N 3.05Å; G152-S154 VanDerWaalsContact O-N 3.11Å; S154-D156 PolarHBondContact O-N 2.87Å; S154-V157 PolarHBondContact O-N 2.8Å; S154-V157 VanDerWaalsContact O-O 3.06Å
155	K	70.4	Confident	64.1	Low	186 Å²	186	86.7 Å²	86.7	81%	0.809	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-27.4	-160.1	-84.6	-179.7	-174.6	-173.4	0	115.3	S153	S153-K155 PolarHBondContact O-N 3.37Å
156	D	92.1	Very high	66.5	Low	33 Å²	33	86.3 Å²	86.3	18%	0.176	49%	0.491	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-12.5	179.9	-56.9	-40.9	0	0	0	113.3	S154 A199 T200 K203	S154-D156 PolarHBondContact O-N 2.87Å; D156-A199 HydrophobicContact CB-CB 3.91Å; D156-T200 WeakPolarHBondContact OD2-CA 3.13Å; D156-T200 WeakPolarHBondContact OD2-CB 3.34Å; D156-T200 PolarHBondContact OD2-OG1 3.14Å; D156-K203 WeakPolarHBondContact OD1-CD 3.41Å; D156-K203 WeakPolarHBondContact OD1-CE 3.45Å; D156-K203 IonicContact OD1-NZ 3.14Å; D156-K203 PolarHBondContact OD1-NZ 2.73Å
157	V	95.7	Very high	69.3	Low	21 Å²	21	81.2 Å²	81.2	13%	0.127	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	116.8	172.6	-178.1	0	0	0	0	108.4	S154 Q196 A199 V208 A210	S154-V157 PolarHBondContact O-N 2.8Å; S154-V157 VanDerWaalsContact O-O 3.06Å; V157-Q196 HydrophobicContact CG2-CB 4.49Å; V157-Q196 HydrophobicContact CG2-CG 4.01Å; V157-A199 HydrophobicContact CG2-CB 3.57Å; V157-V208 WeakPolarHBondContact CA-O 3.5Å; V157-A210 HydrophobicContact CG1-CB 3.88Å
158	I	95.7	Very high	72.3	Confident	47 Å²	47	74.6 Å²	74.6	24%	0.241	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	129.9	-179.6	-61.5	169.6	0	0	0	109	L160 M168 W176 K207 V208 A209 A210	I158-L160 HydrophobicContact CG2-CD2 4.33Å; I158-M168 HydrophobicContact CG2-CE 3.63Å; I158-M168 HydrophobicContact CG2-SD 4.31Å; I158-W176 HydrophobicContact CB-CZ3 4.12Å; I158-W176 HydrophobicContact CD1-CH2 3.51Å; I158-W176 HydrophobicContact CD1-CZ3 3.69Å; I158-W176 HydrophobicContact CG2-CH2 4.18Å; I158-W176 HydrophobicContact CG2-CZ3 4.02Å; I158-K207 HydrophobicContact CD1-CB 4.34Å; I158-K207 HydrophobicContact CD1-CD 3.9Å; I158-V208 PolarHBondContact N-O 3.1Å; I158-A209 HydrophobicContact CB-CB 4.11Å; I158-A209 CarbonylContact O-C 3.53Å; I158-A209 WeakPolarHBondContact O-CA 3.36Å; I158-A209 VanDerWaalsContact O-CB 3.28Å; I158-A209 WeakPolarHBondContact O-CB 3.5Å; I158-A210 PolarHBondContact O-N 2.79Å
159	E	92.8	Very high	75.1	Confident	151 Å²	151	68.6 Å²	68.6	71%	0.706	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	123	174.4	-173.1	175.2	178.2	0	0	109.9	N164	E159-N164 PolarHBondContact O-ND2 2.72Å
160	L	94.3	Very high	77.8	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	149.7	173.4	-63.8	175.8	0	0	0	110.3	I158 N164 F165 M168 I169 W176 V178 A209 A210 I211	I158-L160 HydrophobicContact CG2-CD2 4.33Å; L160-N164 WeakPolarHBondContact CA-OD1 3.34Å; L160-F165 HydrophobicContact CB-CD2 3.96Å; L160-F165 HydrophobicContact CD1-CD2 3.78Å; L160-F165 HydrophobicContact CD1-CE2 3.93Å; L160-F165 HydrophobicContact CD1-CG 4.48Å; L160-F165 HydrophobicContact CG-CD2 4.44Å; L160-M168 HydrophobicContact CD2-CB 4.07Å; L160-M168 HydrophobicContact CD2-CG 4.38Å; L160-M168 HydrophobicContact CD2-SD 3.62Å; L160-I169 HydrophobicContact CD1-CD1 4.2Å; L160-W176 HydrophobicContact CD2-CZ3 4.4Å; L160-V178 HydrophobicContact CD1-CG1 3.83Å; L160-V178 HydrophobicContact CD1-CG2 3.84Å; L160-A209 HydrophobicContact CD1-CB 3.6Å; L160-A209 HydrophobicContact CG-CB 3.85Å; L160-A210 PolarHBondContact N-O 3.14Å; L160-I211 HydrophobicContact CB-CB 4.17Å; L160-I211 HydrophobicContact CB-CD1 4.5Å; L160-I211 WeakPolarHBondContact O-CG1 3.4Å
161	T	90.7	Very high	80.7	Confident	34 Å²	34	67 Å²	67	21%	0.209	38%	0.383	C	S	.	.			trans	-139.5	163.4	-178.9	61.7	0	0	0	0	108.7	S163 N164 F165 N216	T161-S163 PolarHBondContact O-N 2.84Å; T161-S163 PolarHBondContact OG1-OG 3Å; T161-S163 VanDerWaalsContact OG1-OG 3.1Å; T161-N164 PolarHBondContact N-OD1 3.36Å; T161-N164 PolarHBondContact O-N 3.1Å; T161-N164 PolarHBondContact O-OD1 3.06Å; T161-N164 PolarHBondContact OG1-OD1 3.39Å; T161-N164 VanDerWaalsContact OG1-OD1 3.1Å; T161-F165 WeakPolarHBondContact O-CB 3.49Å; T161-F165 PolarHBondContact O-N 3.38Å; T161-N216 WeakPolarHBondContact CA-OD1 3.31Å; T161-N216 WeakPolarHBondContact CB-OD1 3.48Å
162	D	88.3	Confident	83.5	Confident	45 Å²	45	62.1 Å²	62.1	24%	0.241	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.5	178.2	-76.8	-24.3	0	0	0	113.2	N216 T217 V218 M219	D162-N216 HydrophobicContact CB-CB 4.48Å; D162-N216 PolarHBondContact N-OD1 3.2Å; D162-N216 WeakPolarHBondContact OD2-CA 3.43Å; D162-T217 PolarHBondContact OD2-N 2.71Å; D162-T217 VanDerWaalsContact OD2-N 3.11Å; D162-V218 HydrophobicContact CB-CB 4.25Å; D162-V218 HydrophobicContact CB-CG2 4.47Å; D162-V218 PolarHBondContact OD1-N 3.37Å; D162-V218 WeakPolarHBondContact OD2-CB 3.46Å; D162-V218 WeakPolarHBondContact OD2-CG2 3.48Å; D162-V218 PolarHBondContact OD2-N 2.88Å; D162-M219 WeakPolarHBondContact OD1-CG 3.35Å; D162-M219 PolarHBondContact OD1-N 3.5Å
163	S	86.9	Confident	86.2	Confident	112 Å²	112	64.9 Å²	64.9	78%	0.783	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-22.2	-178.1	61	0	0	0	0	115.1	T161	T161-S163 PolarHBondContact O-N 2.84Å; T161-S163 PolarHBondContact OG1-OG 3Å; T161-S163 VanDerWaalsContact OG1-OG 3.1Å
164	N	91.7	Very high	88.9	Confident	42 Å²	42	64 Å²	64	23%	0.225	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-12.9	-177.6	73.6	-2.8	0	0	0	113.8	E159 L160 T161 E166 M168	E159-N164 PolarHBondContact O-ND2 2.72Å; L160-N164 WeakPolarHBondContact CA-OD1 3.34Å; T161-N164 PolarHBondContact N-OD1 3.36Å; T161-N164 PolarHBondContact O-N 3.1Å; T161-N164 PolarHBondContact O-OD1 3.06Å; T161-N164 PolarHBondContact OG1-OD1 3.39Å; T161-N164 VanDerWaalsContact OG1-OD1 3.1Å; N164-E166 PolarHBondContact O-N 3.5Å; N164-M168 HydrophobicContact CB-CG 4.26Å; N164-M168 HydrophobicContact CB-SD 4.13Å; N164-M168 WeakPolarHBondContact O-CB 3.41Å; N164-M168 VanDerWaalsContact O-CG 3.25Å; N164-M168 WeakPolarHBondContact O-CG 3.4Å; N164-M168 PolarHBondContact O-N 3.3Å
165	F	94.3	Very high	90.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-56.8	-52.4	-171.9	-168.8	-75.9	0	0	0	112.6	L160 T161 I169 V178 F180 I211 M219 F223 F234 L241	L160-F165 HydrophobicContact CB-CD2 3.96Å; L160-F165 HydrophobicContact CD1-CD2 3.78Å; L160-F165 HydrophobicContact CD1-CE2 3.93Å; L160-F165 HydrophobicContact CD1-CG 4.48Å; L160-F165 HydrophobicContact CG-CD2 4.44Å; T161-F165 WeakPolarHBondContact O-CB 3.49Å; T161-F165 PolarHBondContact O-N 3.38Å; F165-I169 HydrophobicContact CD1-CD1 3.68Å; F165-I169 HydrophobicContact CD1-CG1 4.41Å; F165-I169 HydrophobicContact CD2-CD1 4.49Å; F165-I169 HydrophobicContact CE1-CD1 3.23Å; F165-I169 HydrophobicContact CE1-CG1 4.36Å; F165-I169 HydrophobicContact CE2-CD1 4.15Å; F165-I169 HydrophobicContact CG-CD1 4.28Å; F165-I169 HydrophobicContact CZ-CD1 3.49Å; F165-I169 VanDerWaalsContact CZ-CD1 3.49Å; F165-I169 WeakPolarHBondContact O-CB 3.41Å; F165-I169 VanDerWaalsContact O-CG1 3.32Å; F165-I169 WeakPolarHBondContact O-CG1 3.03Å; F165-I169 PolarHBondContact O-N 3.48Å; F165-I169 VanDerWaalsContact O-N 3.12Å; F165-V178 HydrophobicContact CE2-CG1 3.79Å; F165-V178 HydrophobicContact CZ-CG1 4.28Å; F165-F180 HydrophobicContact CE2-CE1 4.25Å; F165-F180 AromaticContact CE2-CZ 3.73Å; F165-F180 HydrophobicContact CE2-CZ 3.73Å; F165-F180 AromaticContact CZ-CZ 3.82Å; F165-F180 HydrophobicContact CZ-CZ 3.82Å; F165-I211 HydrophobicContact CD2-CD1 3.78Å; F165-I211 HydrophobicContact CE2-CD1 4.23Å; F165-I211 HydrophobicContact CE2-CG2 4.44Å; F165-M219 HydrophobicContact CB-CG 3.74Å; F165-M219 HydrophobicContact CB-SD 3.9Å; F165-M219 HydrophobicContact CD1-CG 4.13Å; F165-M219 HydrophobicContact CD1-SD 3.62Å; F165-M219 HydrophobicContact CD2-CB 4.27Å; F165-M219 HydrophobicContact CD2-CG 3.83Å; F165-M219 HydrophobicContact CD2-SD 4.43Å; F165-M219 HydrophobicContact CE1-SD 4.23Å; F165-M219 HydrophobicContact CE2-CB 4.45Å; F165-M219 HydrophobicContact CE2-CG 4.43Å; F165-M219 HydrophobicContact CG-CG 3.66Å; F165-M219 HydrophobicContact CG-SD 3.75Å; F165-F223 HydrophobicContact CD1-CE2 4.32Å; F165-F223 AromaticContact CE1-CE2 3.42Å; F165-F223 HydrophobicContact CE1-CE2 3.42Å; F165-F223 VanDerWaalsContact CE1-CE2 3.42Å; F165-F223 AromaticContact CE1-CZ 3.68Å; F165-F223 HydrophobicContact CE1-CZ 3.68Å; F165-F223 HydrophobicContact CE2-CE2 4.4Å; F165-F223 HydrophobicContact CZ-CD2 4.3Å; F165-F223 AromaticContact CZ-CE2 3.49Å; F165-F223 HydrophobicContact CZ-CE2 3.49Å; F165-F223 VanDerWaalsContact CZ-CE2 3.49Å; F165-F223 HydrophobicContact CZ-CZ 4.03Å; F165-F234 HydrophobicContact CE1-CE1 4.29Å; F165-F234 HydrophobicContact CE1-CE2 4.31Å; F165-F234 AromaticContact CE1-CZ 3.74Å; F165-F234 HydrophobicContact CE1-CZ 3.74Å; F165-F234 AromaticContact CZ-CE2 3.92Å; F165-F234 HydrophobicContact CZ-CE2 3.92Å; F165-F234 AromaticContact CZ-CZ 3.65Å; F165-F234 HydrophobicContact CZ-CZ 3.65Å; F165-L241 HydrophobicContact CD1-CD2 4.15Å; F165-L241 HydrophobicContact CE1-CD2 3.92Å
166	E	91.7	Very high	92	Very high	96 Å²	96	53.1 Å²	53.1	45%	0.449	29%	0.287	S	S	.	.	H	α-helix	trans	-64.2	-53.4	-176.2	-172.2	159.6	178.5	0	0	110.5	N164 M168 I169 T170 R222 L241	N164-E166 PolarHBondContact O-N 3.5Å; E166-M168 PolarHBondContact O-N 3.17Å; E166-I169 PolarHBondContact O-N 3.32Å; E166-T170 HydrophobicContact CG-CG2 4.06Å; E166-T170 WeakPolarHBondContact O-CB 3.4Å; E166-T170 PolarHBondContact O-N 2.98Å; E166-T170 PolarHBondContact O-OG1 2.89Å; E166-R222 IonicContact OE2-NH1 2.77Å; E166-R222 PolarHBondContact OE2-NH1 3.38Å; E166-L241 HydrophobicContact CB-CD1 4.1Å; E166-L241 HydrophobicContact CG-CD1 3.84Å; E166-L241 HydrophobicContact CG-CG 4.48Å
167	D	91.2	Very high	92.2	Very high	100 Å²	100	51.5 Å²	51.5	54%	0.535	28%	0.279	S	S	.	.	H	α-helix	trans	-54.3	-49	178.5	-178.4	57.1	0	0	0	112.5	I169 N171	D167-I169 VanDerWaalsContact C-N 3.34Å; D167-I169 PolarHBondContact O-N 3.5Å; D167-N171 WeakPolarHBondContact O-CB 3.35Å; D167-N171 PolarHBondContact O-N 3.3Å; D167-N171 VanDerWaalsContact O-N 3.12Å; D167-N171 PolarHBondContact OD1-ND2 3.41Å
168	M	93.3	Very high	92.3	Very high	60 Å²	60	50.5 Å²	50.5	30%	0.296	27%	0.273	S	S	.	.	H	α-helix	trans	-67.7	-32.7	-177.3	-69.2	-169.2	79.5	0	0	113.5	I158 L160 N164 E166 S172 W176	I158-M168 HydrophobicContact CG2-CE 3.63Å; I158-M168 HydrophobicContact CG2-SD 4.31Å; L160-M168 HydrophobicContact CD2-CB 4.07Å; L160-M168 HydrophobicContact CD2-CG 4.38Å; L160-M168 HydrophobicContact CD2-SD 3.62Å; N164-M168 HydrophobicContact CB-CG 4.26Å; N164-M168 HydrophobicContact CB-SD 4.13Å; N164-M168 WeakPolarHBondContact O-CB 3.41Å; N164-M168 VanDerWaalsContact O-CG 3.25Å; N164-M168 WeakPolarHBondContact O-CG 3.4Å; N164-M168 PolarHBondContact O-N 3.3Å; E166-M168 PolarHBondContact O-N 3.17Å; M168-S172 WeakPolarHBondContact O-CB 3.36Å; M168-W176 HydrophobicContact CB-CH2 4.35Å; M168-W176 HydrophobicContact CB-CZ2 4.49Å; M168-W176 HydrophobicContact CE-CH2 3.93Å; M168-W176 WeakPolarHBondContact O-CZ2 3.35Å
169	I	93	Very high	92.4	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-85.7	-52.4	-178.3	-65	-173	0	0	0	110.6	L160 F165 E166 D167 N171 S172 W176 V178 F234 K239 L241	L160-I169 HydrophobicContact CD1-CD1 4.2Å; F165-I169 HydrophobicContact CD1-CD1 3.68Å; F165-I169 HydrophobicContact CD1-CG1 4.41Å; F165-I169 HydrophobicContact CD2-CD1 4.49Å; F165-I169 HydrophobicContact CE1-CD1 3.23Å; F165-I169 HydrophobicContact CE1-CG1 4.36Å; F165-I169 HydrophobicContact CE2-CD1 4.15Å; F165-I169 HydrophobicContact CG-CD1 4.28Å; F165-I169 HydrophobicContact CZ-CD1 3.49Å; F165-I169 VanDerWaalsContact CZ-CD1 3.49Å; F165-I169 WeakPolarHBondContact O-CB 3.41Å; F165-I169 VanDerWaalsContact O-CG1 3.32Å; F165-I169 WeakPolarHBondContact O-CG1 3.03Å; F165-I169 PolarHBondContact O-N 3.48Å; F165-I169 VanDerWaalsContact O-N 3.12Å; E166-I169 PolarHBondContact O-N 3.32Å; D167-I169 VanDerWaalsContact C-N 3.34Å; D167-I169 PolarHBondContact O-N 3.5Å; I169-N171 PolarHBondContact O-N 3.33Å; I169-S172 PolarHBondContact O-N 2.9Å; I169-W176 HydrophobicContact CG1-CD2 4.25Å; I169-W176 HydrophobicContact CG1-CG 4.33Å; I169-V178 HydrophobicContact CD1-CG2 3.88Å; I169-F234 HydrophobicContact CD1-CD1 4.45Å; I169-F234 HydrophobicContact CD1-CD2 3.77Å; I169-F234 HydrophobicContact CD1-CE1 4.35Å; I169-F234 HydrophobicContact CD1-CE2 3.69Å; I169-F234 HydrophobicContact CD1-CG 4.17Å; I169-F234 HydrophobicContact CD1-CZ 4Å; I169-F234 HydrophobicContact CG2-CB 3.82Å; I169-F234 HydrophobicContact CG2-CD1 3.68Å; I169-F234 HydrophobicContact CG2-CD2 4.28Å; I169-F234 HydrophobicContact CG2-CE1 4.31Å; I169-F234 HydrophobicContact CG2-CG 3.65Å; I169-K239 HydrophobicContact CG2-CD 4.38Å; I169-K239 WeakPolarHBondContact O-CE 3.32Å; I169-K239 PolarHBondContact O-NZ 3.48Å; I169-L241 HydrophobicContact CB-CD2 4.36Å; I169-L241 HydrophobicContact CG2-CD2 4.13Å
170	T	89.7	Confident	92.7	Very high	38 Å²	38	41.5 Å²	41.5	23%	0.233	23%	0.229	C	C	.	.	H	α-helix	trans	-72.5	-29	-173.2	64	0	0	0	0	112.8	E166 S172 L241	E166-T170 HydrophobicContact CG-CG2 4.06Å; E166-T170 WeakPolarHBondContact O-CB 3.4Å; E166-T170 PolarHBondContact O-N 2.98Å; E166-T170 PolarHBondContact O-OG1 2.89Å; T170-S172 VanDerWaalsContact C-N 3.33Å; T170-L241 HydrophobicContact CG2-CD2 4.06Å; T170-L241 HydrophobicContact CG2-CG 4.15Å
171	N	89.9	Confident	92.6	Very high	122 Å²	122	44 Å²	44	65%	0.652	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	14	179.1	-59.5	-24.5	0	0	0	113.5	D167 I169	D167-N171 WeakPolarHBondContact O-CB 3.35Å; D167-N171 PolarHBondContact O-N 3.3Å; D167-N171 VanDerWaalsContact O-N 3.12Å; D167-N171 PolarHBondContact OD1-ND2 3.41Å; I169-N171 PolarHBondContact O-N 3.33Å
172	S	89.7	Confident	92.5	Very high	17 Å²	17	42.4 Å²	42.4	12%	0.119	23%	0.231	C	C	.	.			trans	-108.8	141.3	175.9	166.7	0	0	0	0	109.6	M168 I169 T170 D174 W176 K239	M168-S172 WeakPolarHBondContact O-CB 3.36Å; I169-S172 PolarHBondContact O-N 2.9Å; T170-S172 VanDerWaalsContact C-N 3.33Å; S172-D174 WeakPolarHBondContact OG-CB 3.47Å; S172-D174 PolarHBondContact OG-N 3.31Å; S172-W176 PolarHBondContact OG-NE1 3.39Å; S172-K239 PolarHBondContact O-NZ 3.07Å
173	D	89.2	Confident	92.1	Very high	126 Å²	126	43.2 Å²	43.2	67%	0.674	24%	0.239	S	C	*	.			trans	-85.4	-13.6	168	-70.6	-41	0	0	0	112.7	S236 G237	D173-S236 CarbonylContact O-C 3.51Å; D173-S236 VanDerWaalsContact O-CA 3.29Å; D173-S236 WeakPolarHBondContact O-CA 3.44Å; D173-S236 WeakPolarHBondContact O-CB 3.18Å; D173-G237 PolarHBondContact O-N 2.95Å
174	D	91.3	Very high	91.9	Very high	63 Å²	63	46.4 Å²	46.4	34%	0.337	23%	0.233	S	C	.	.	S	Bend	trans	-69.7	154.6	179.5	-61.4	-45.4	0	0	0	112.7	S172 W176 K207 K239	S172-D174 WeakPolarHBondContact OG-CB 3.47Å; S172-D174 PolarHBondContact OG-N 3.31Å; D174-W176 VanDerWaalsContact O-CD1 3.25Å; D174-K207 HydrophobicContact CB-CG 3.76Å; D174-K207 WeakPolarHBondContact OD2-CE 3.37Å; D174-K207 IonicContact OD2-NZ 3.36Å; D174-K239 PolarHBondContact O-NZ 2.9Å
175	M	93.6	Very high	91.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	137.7	165.3	-164.6	175.3	73.5	0	0	109.7	V206 K207 M233 F234 S236 A260 K263 L264	M175-V206 HydrophobicContact CB-CG1 4.3Å; M175-V206 HydrophobicContact CE-CB 4.18Å; M175-V206 HydrophobicContact CE-CG1 3.64Å; M175-V206 HydrophobicContact CE-CG2 3.41Å; M175-V206 VanDerWaalsContact CE-CG2 3.41Å; M175-V206 HydrophobicContact CG-CG1 4.49Å; M175-V206 WeakPolarHBondContact O-CG1 3.41Å; M175-K207 PolarHBondContact O-N 2.97Å; M175-M233 HydrophobicContact CG-CG 4.12Å; M175-M233 HydrophobicContact CG-SD 4.46Å; M175-M233 HydrophobicContact SD-CG 4.08Å; M175-M233 HydrophobicContact SD-SD 3.83Å; M175-F234 WeakPolarHBondContact CA-O 3.19Å; M175-F234 WeakPolarHBondContact CG-O 3.25Å; M175-S236 WeakPolarHBondContact CB-OG 3.31Å; M175-S236 PolarHBondContact N-OG 3.09Å; M175-A260 HydrophobicContact CE-CB 4.15Å; M175-A260 WeakPolarHBondContact CE-O 3.46Å; M175-K263 HydrophobicContact CE-CB 4.33Å; M175-K263 HydrophobicContact SD-CB 4.01Å; M175-L264 HydrophobicContact CB-CD1 4.09Å; M175-L264 HydrophobicContact CE-CB 4.05Å; M175-L264 HydrophobicContact CE-CD1 4.48Å; M175-L264 HydrophobicContact SD-CB 4.38Å; M175-L264 HydrophobicContact SD-CD1 4.43Å
176	W	96.6	Very high	91.3	Very high	8 Å²	8	47 Å²	47	3%	0.03	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	140.8	178.5	-71.9	73.1	0	0	0	112	I158 L160 M168 I169 S172 D174 V178 K207 A209 M233 F234	I158-W176 HydrophobicContact CB-CZ3 4.12Å; I158-W176 HydrophobicContact CD1-CH2 3.51Å; I158-W176 HydrophobicContact CD1-CZ3 3.69Å; I158-W176 HydrophobicContact CG2-CH2 4.18Å; I158-W176 HydrophobicContact CG2-CZ3 4.02Å; L160-W176 HydrophobicContact CD2-CZ3 4.4Å; M168-W176 HydrophobicContact CB-CH2 4.35Å; M168-W176 HydrophobicContact CB-CZ2 4.49Å; M168-W176 HydrophobicContact CE-CH2 3.93Å; M168-W176 WeakPolarHBondContact O-CZ2 3.35Å; I169-W176 HydrophobicContact CG1-CD2 4.25Å; I169-W176 HydrophobicContact CG1-CG 4.33Å; S172-W176 PolarHBondContact OG-NE1 3.39Å; D174-W176 VanDerWaalsContact O-CD1 3.25Å; W176-V178 HydrophobicContact CB-CG2 4.35Å; W176-K207 CarbonylContact C-O 3.51Å; W176-K207 WeakPolarHBondContact CA-O 3.39Å; W176-K207 HydrophobicContact CD2-CB 3.39Å; W176-K207 HydrophobicContact CD2-CG 4.08Å; W176-K207 HydrophobicContact CE3-CB 3.54Å; W176-K207 HydrophobicContact CG-CB 3.91Å; W176-K207 HydrophobicContact CH2-CB 3.96Å; W176-K207 HydrophobicContact CH2-CG 4.2Å; W176-K207 HydrophobicContact CZ2-CB 3.82Å; W176-K207 HydrophobicContact CZ2-CD 4.35Å; W176-K207 HydrophobicContact CZ2-CG 3.74Å; W176-K207 HydrophobicContact CZ3-CB 3.83Å; W176-A209 HydrophobicContact CE3-CB 3.9Å; W176-A209 HydrophobicContact CZ3-CB 3.87Å; W176-M233 CarbonylContact O-C 3.46Å; W176-M233 VanDerWaalsContact O-CA 3.23Å; W176-M233 WeakPolarHBondContact O-CA 3.43Å; W176-F234 HydrophobicContact CB-CB 4.21Å; W176-F234 HydrophobicContact CB-CD2 4.28Å; W176-F234 PolarHBondContact N-O 3.34Å; W176-F234 PolarHBondContact O-N 3.12Å
177	L	97.5	Very high	91.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	125.8	162.4	-70.6	-176.4	0	0	0	108.9	W195 L202 V206 K207 V208 A209 M233 I256 W259 A260	L177-W195 HydrophobicContact CB-CH2 3.87Å; L177-W195 HydrophobicContact CB-CZ2 4.15Å; L177-L202 HydrophobicContact CD1-CD1 4.26Å; L177-V206 HydrophobicContact CD1-CG1 4.4Å; L177-V206 HydrophobicContact CG-CG1 4Å; L177-K207 PolarHBondContact N-O 2.87Å; L177-V208 CarbonylContact O-C 3.51Å; L177-V208 WeakPolarHBondContact O-CA 3.18Å; L177-A209 PolarHBondContact O-N 2.96Å; L177-M233 HydrophobicContact CD2-CB 3.67Å; L177-M233 HydrophobicContact CD2-CG 3.79Å; L177-I256 HydrophobicContact CD1-CG2 3.96Å; L177-W259 HydrophobicContact CD2-CE3 4.38Å; L177-W259 HydrophobicContact CD2-CZ3 3.85Å; L177-A260 HydrophobicContact CD1-CB 3.8Å
178	V	97.9	Very high	91.1	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	117.5	-174.7	-174.7	0	0	0	0	110.2	L160 F165 I169 W176 F180 A209 I211 I231 K232 F234	L160-V178 HydrophobicContact CD1-CG1 3.83Å; L160-V178 HydrophobicContact CD1-CG2 3.84Å; F165-V178 HydrophobicContact CE2-CG1 3.79Å; F165-V178 HydrophobicContact CZ-CG1 4.28Å; I169-V178 HydrophobicContact CD1-CG2 3.88Å; W176-V178 HydrophobicContact CB-CG2 4.35Å; V178-F180 HydrophobicContact CB-CE2 4.41Å; V178-F180 HydrophobicContact CG1-CD2 4.42Å; V178-F180 HydrophobicContact CG1-CE2 4Å; V178-F180 HydrophobicContact CG1-CZ 4.39Å; V178-A209 WeakPolarHBondContact CA-O 3.35Å; V178-A209 HydrophobicContact CG2-CB 4.27Å; V178-I211 HydrophobicContact CG1-CG2 3.88Å; V178-I231 VanDerWaalsContact O-CA 3.31Å; V178-I231 WeakPolarHBondContact O-CA 3.3Å; V178-K232 PolarHBondContact N-O 3.22Å; V178-K232 PolarHBondContact O-N 3.35Å; V178-F234 HydrophobicContact CB-CE2 4.17Å; V178-F234 HydrophobicContact CG2-CD2 3.91Å; V178-F234 HydrophobicContact CG2-CE2 3.7Å
179	E	97.9	Very high	90.9	Very high	8 Å²	8	46.6 Å²	46.6	4%	0.037	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	118.1	171.8	-175.5	-167.8	179.3	0	0	110.4	F181 L191 W195 A209 A210 I211 P229 I231	E179-F181 HydrophobicContact CG-CB 4.11Å; E179-F181 WeakPolarHBondContact OE1-CB 3.35Å; E179-L191 HydrophobicContact CG-CD2 4.16Å; E179-L191 WeakPolarHBondContact OE1-CD2 3.44Å; E179-W195 HydrophobicContact CB-CD2 4.19Å; E179-W195 HydrophobicContact CB-CH2 4.3Å; E179-W195 HydrophobicContact CB-CZ2 3.68Å; E179-A209 PolarHBondContact N-O 2.98Å; E179-A210 HydrophobicContact CB-CB 4.42Å; E179-A210 CarbonylContact O-C 3.49Å; E179-A210 WeakPolarHBondContact O-CA 3.5Å; E179-I211 WeakPolarHBondContact O-CG2 3.49Å; E179-I211 PolarHBondContact O-N 2.83Å; E179-P229 HydrophobicContact CG-CB 4.04Å; E179-I231 HydrophobicContact CB-CG1 4.28Å; E179-I231 HydrophobicContact CG-CG1 4.32Å
180	F	97.1	Very high	90.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	114	163.1	-64.9	-99.3	0	0	0	108.4	F165 V178 I211 A213 M219 F223 I225 P229 T230 K232	F165-F180 HydrophobicContact CE2-CE1 4.25Å; F165-F180 AromaticContact CE2-CZ 3.73Å; F165-F180 HydrophobicContact CE2-CZ 3.73Å; F165-F180 AromaticContact CZ-CZ 3.82Å; F165-F180 HydrophobicContact CZ-CZ 3.82Å; V178-F180 HydrophobicContact CB-CE2 4.41Å; V178-F180 HydrophobicContact CG1-CD2 4.42Å; V178-F180 HydrophobicContact CG1-CE2 4Å; V178-F180 HydrophobicContact CG1-CZ 4.39Å; F180-I211 HydrophobicContact CB-CG2 4.3Å; F180-I211 HydrophobicContact CD1-CG2 3.34Å; F180-I211 HydrophobicContact CD2-CG2 4.22Å; F180-I211 HydrophobicContact CE1-CG2 3.56Å; F180-I211 HydrophobicContact CE2-CG2 4.38Å; F180-I211 HydrophobicContact CG-CG2 3.7Å; F180-I211 HydrophobicContact CZ-CG2 4.07Å; F180-A213 HydrophobicContact CB-CB 4.32Å; F180-A213 HydrophobicContact CD1-CB 4.38Å; F180-M219 HydrophobicContact CE1-CB 4.13Å; F180-F223 HydrophobicContact CE1-CD2 4Å; F180-F223 HydrophobicContact CE2-CD2 4.35Å; F180-F223 HydrophobicContact CZ-CB 4.42Å; F180-F223 AromaticContact CZ-CD2 3.45Å; F180-F223 HydrophobicContact CZ-CD2 3.45Å; F180-F223 VanDerWaalsContact CZ-CD2 3.45Å; F180-F223 HydrophobicContact CZ-CE2 4.04Å; F180-F223 HydrophobicContact CZ-CG 4.14Å; F180-I225 HydrophobicContact CB-CD1 4.17Å; F180-I225 HydrophobicContact CB-CG1 4.17Å; F180-I225 HydrophobicContact CB-CG2 4.08Å; F180-I225 HydrophobicContact CD1-CD1 4.12Å; F180-I225 HydrophobicContact CD1-CG1 3.73Å; F180-I225 HydrophobicContact CD2-CD1 3.8Å; F180-I225 HydrophobicContact CD2-CG1 4.34Å; F180-I225 HydrophobicContact CE1-CD1 4.5Å; F180-I225 HydrophobicContact CE1-CG1 4.19Å; F180-I225 HydrophobicContact CE2-CD1 4.22Å; F180-I225 HydrophobicContact CG-CD1 3.76Å; F180-I225 HydrophobicContact CG-CG1 3.82Å; F180-P229 WeakPolarHBondContact O-CA 3.37Å; F180-T230 PolarHBondContact N-O 3.41Å; F180-T230 PolarHBondContact O-N 3.02Å; F180-T230 VanDerWaalsContact O-N 3.14Å; F180-K232 HydrophobicContact CD2-CG 4.31Å; F180-K232 HydrophobicContact CE2-CB 4.22Å; F180-K232 HydrophobicContact CE2-CG 3.87Å
181	F	94.1	Very high	91	Very high	53 Å²	53	48.1 Å²	48.1	23%	0.232	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	167.2	-174.3	79.6	-84.3	0	0	0	112.6	E179 P183 C188 A210 I211 D212 A213	E179-F181 HydrophobicContact CG-CB 4.11Å; E179-F181 WeakPolarHBondContact OE1-CB 3.35Å; F181-P183 HydrophobicContact CE2-CG 4.2Å; F181-C188 HydrophobicContact CB-CB 4.04Å; F181-A210 HydrophobicContact CD1-CB 4.04Å; F181-A210 HydrophobicContact CE1-CB 3.92Å; F181-I211 WeakPolarHBondContact CD1-O 3.41Å; F181-I211 VanDerWaalsContact CE1-C 3.45Å; F181-I211 PolarHBondContact N-O 2.97Å; F181-D212 HydrophobicContact CE1-CB 4.06Å; F181-D212 HydrophobicContact CE2-CB 4.33Å; F181-D212 HydrophobicContact CZ-CB 3.8Å; F181-A213 PolarHBondContact O-N 2.85Å
182	A	88.1	Confident	91.1	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.			trans	-126.8	133	168.9	0	0	0	0	0	110.1	W184 C185 T214 F228	A182-W184 HydrophobicContact CB-CD2 4.18Å; A182-W184 HydrophobicContact CB-CH2 4.37Å; A182-W184 HydrophobicContact CB-CZ2 3.83Å; A182-W184 PolarHBondContact O-N 3.16Å; A182-W184 VanDerWaalsContact O-N 3.1Å; A182-C185 HydrophobicContact CB-CB 4.18Å; A182-C185 WeakPolarHBondContact O-CB 3.42Å; A182-C185 PolarHBondContact O-N 3.08Å; A182-T214 HydrophobicContact CB-CG2 3.48Å; A182-T214 VanDerWaalsContact CB-CG2 3.48Å; A182-F228 HydrophobicContact CB-CB 4.44Å; A182-F228 HydrophobicContact CB-CD1 4.48Å; A182-F228 HydrophobicContact CB-CD2 3.45Å; A182-F228 VanDerWaalsContact CB-CD2 3.45Å; A182-F228 HydrophobicContact CB-CE2 3.71Å; A182-F228 HydrophobicContact CB-CG 3.87Å; A182-F228 HydrophobicContact CB-CZ 4.34Å
183	P	80	Confident	91.3	Very high	63 Å²	63	46.7 Å²	46.7	41%	0.409	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-27.4	-174	-27.2	34.1	0	0	0	114.7	F181 K189 D212	F181-P183 HydrophobicContact CE2-CG 4.2Å; P183-K189 WeakPolarHBondContact O-CE 3.48Å; P183-D212 WeakPolarHBondContact CD-OD1 3.49Å; P183-D212 WeakPolarHBondContact CD-OD2 3.32Å; P183-D212 WeakPolarHBondContact CG-OD2 3.36Å
184	W	81.6	Confident	91.6	Very high	178 Å²	178	44.2 Å²	44.2	67%	0.674	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87	-10.5	-180	48.6	-100.3	0	0	0	113.4	A182 G186 F228	A182-W184 HydrophobicContact CB-CD2 4.18Å; A182-W184 HydrophobicContact CB-CH2 4.37Å; A182-W184 HydrophobicContact CB-CZ2 3.83Å; A182-W184 PolarHBondContact O-N 3.16Å; A182-W184 VanDerWaalsContact O-N 3.1Å; W184-G186 PolarHBondContact O-N 3.23Å; W184-F228 HydrophobicContact CH2-CD2 4.23Å; W184-F228 HydrophobicContact CH2-CE2 4.43Å; W184-F228 HydrophobicContact CZ2-CD2 4.42Å; W184-F228 HydrophobicContact CZ2-CE2 4.29Å
185	C	86.5	Confident	91.8	Very high	12 Å²	12	41.4 Å²	41.4	8%	0.081	22%	0.216	C	C	.	.			trans	-75.5	120.3	-175.7	178.9	0	0	0	0	112	A182 H187 C188 K189 F228	A182-C185 HydrophobicContact CB-CB 4.18Å; A182-C185 WeakPolarHBondContact O-CB 3.42Å; A182-C185 PolarHBondContact O-N 3.08Å; C185-H187 VanDerWaalsContact C-N 3.29Å; C185-H187 PolarHBondContact O-N 3.1Å; C185-C188 HydrophobicContact CB-CB 3.95Å; C185-C188 VanDerWaalsContact CB-SG 3.6Å; C185-C188 PolarHBondContact O-N 2.85Å; C185-C188 VanDerWaalsContact SG-SG 3.64Å; C185-K189 WeakPolarHBondContact O-CG 3.36Å; C185-K189 PolarHBondContact O-N 3.48Å; C185-F228 HydrophobicContact CB-CB 4.29Å
186	G	86.4	Confident	91.9	Very high	44 Å²	44	45.3 Å²	45.3	45%	0.454	23%	0.234	S	C	.	.	H	α-helix	trans	-59.7	-36.9	177	0	0	0	0	0	113.2	W184 K189 N190	W184-G186 PolarHBondContact O-N 3.23Å; G186-K189 PolarHBondContact O-N 2.99Å; G186-N190 VanDerWaalsContact O-CG 3.23Å; G186-N190 PolarHBondContact O-N 3.31Å; G186-N190 PolarHBondContact O-ND2 3.21Å; G186-N190 PolarHBondContact O-OD1 2.59Å
187	H	89.3	Confident	91.8	Very high	111 Å²	111	47.3 Å²	47.3	51%	0.514	25%	0.25	S	C	.	.	H	α-helix	trans	-67.5	-37.4	176.8	-64.2	-53.9	0	0	0	113	C185 N190 L191	C185-H187 VanDerWaalsContact C-N 3.29Å; C185-H187 PolarHBondContact O-N 3.1Å; H187-N190 PolarHBondContact O-N 3.4Å; H187-L191 WeakPolarHBondContact O-CB 3.44Å; H187-L191 PolarHBondContact O-N 3.48Å
188	C	90.5	Very high	91.7	Very high	6 Å²	6	47.3 Å²	47.3	4%	0.041	25%	0.25	C	C	.	.	H	α-helix	trans	-65.5	-43.6	174	-63.6	0	0	0	0	111.2	F181 C185 N190 L191 A192	F181-C188 HydrophobicContact CB-CB 4.04Å; C185-C188 HydrophobicContact CB-CB 3.95Å; C185-C188 VanDerWaalsContact CB-SG 3.6Å; C185-C188 PolarHBondContact O-N 2.85Å; C185-C188 VanDerWaalsContact SG-SG 3.64Å; C188-N190 VanDerWaalsContact C-N 3.25Å; C188-N190 PolarHBondContact O-N 2.83Å; C188-L191 PolarHBondContact O-N 2.84Å; C188-L191 VanDerWaalsContact O-N 3.09Å; C188-A192 PolarHBondContact O-N 2.94Å
189	K	88.8	Confident	91.7	Very high	129 Å²	129	47.5 Å²	47.5	56%	0.561	25%	0.251	S	S	*	.	H	α-helix	trans	-59	-38	175.7	-68.4	176	-175.5	176.5	0	112.1	P183 C185 G186 P193	P183-K189 WeakPolarHBondContact O-CE 3.48Å; C185-K189 WeakPolarHBondContact O-CG 3.36Å; C185-K189 PolarHBondContact O-N 3.48Å; G186-K189 PolarHBondContact O-N 2.99Å; K189-P193 WeakPolarHBondContact O-CD 3.4Å
190	N	91.1	Very high	91.6	Very high	68 Å²	68	51.1 Å²	51.1	36%	0.364	27%	0.274	S	S	.	.	H	α-helix	trans	-71.4	-34.7	175.7	-67	-14.7	0	0	0	112.8	Q112 G186 H187 C188 P193	Q112-N190 WeakPolarHBondContact CB-ND2 3.35Å; Q112-N190 WeakPolarHBondContact CG-ND2 3.36Å; G186-N190 VanDerWaalsContact O-CG 3.23Å; G186-N190 PolarHBondContact O-N 3.31Å; G186-N190 PolarHBondContact O-ND2 3.21Å; G186-N190 PolarHBondContact O-OD1 2.59Å; H187-N190 PolarHBondContact O-N 3.4Å; C188-N190 VanDerWaalsContact C-N 3.25Å; C188-N190 PolarHBondContact O-N 2.83Å; N190-P193 WeakPolarHBondContact O-CD 3.28Å; N190-P193 WeakPolarHBondContact O-CG 3.47Å
191	L	93.8	Very high	91.5	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-73.2	-36.9	178.3	177.6	61.4	0	0	0	112.1	E179 H187 C188 P193 H194 W195 P229 I231 R251 I256	E179-L191 HydrophobicContact CG-CD2 4.16Å; E179-L191 WeakPolarHBondContact OE1-CD2 3.44Å; H187-L191 WeakPolarHBondContact O-CB 3.44Å; H187-L191 PolarHBondContact O-N 3.48Å; C188-L191 PolarHBondContact O-N 2.84Å; C188-L191 VanDerWaalsContact O-N 3.09Å; L191-P193 VanDerWaalsContact O-N 3.16Å; L191-H194 HydrophobicContact CD1-CB 4.35Å; L191-H194 CarbonylContact O-C 3.58Å; L191-H194 WeakPolarHBondContact O-CA 3.07Å; L191-H194 WeakPolarHBondContact O-CB 3.35Å; L191-H194 PolarHBondContact O-N 2.58Å; L191-W195 HydrophobicContact CD1-CE3 4.4Å; L191-W195 HydrophobicContact CD2-CE3 4.41Å; L191-W195 HydrophobicContact CG-CB 4.36Å; L191-W195 PolarHBondContact O-N 3.29Å; L191-P229 HydrophobicContact CB-CG 4.48Å; L191-P229 HydrophobicContact CD2-CB 3.72Å; L191-P229 HydrophobicContact CD2-CG 3.6Å; L191-I231 HydrophobicContact CD2-CD1 3.97Å; L191-R251 HydrophobicContact CD1-CB 4.17Å; L191-I256 HydrophobicContact CD1-CD1 3.86Å
192	A	92.2	Very high	91.5	Very high	36 Å²	36	53.1 Å²	53.1	30%	0.298	28%	0.284	S	S	.	.	H	α-helix	trans	-43.4	-49.7	-175.5	0	0	0	0	0	115.7	C188 H194 W195 Q196	C188-A192 PolarHBondContact O-N 2.94Å; A192-H194 VanDerWaalsContact C-N 3.32Å; A192-H194 PolarHBondContact O-N 3.4Å; A192-W195 PolarHBondContact O-N 3.5Å; A192-Q196 VanDerWaalsContact O-CG 3.31Å; A192-Q196 WeakPolarHBondContact O-CG 3.3Å; A192-Q196 PolarHBondContact O-N 2.89Å
193	P	93.9	Very high	91.7	Very high	74 Å²	74	59.7 Å²	59.7	48%	0.481	31%	0.313	S	S	.	.	H	α-helix	trans	-65.8	-32.7	177.3	25.6	-35.3	0	0	0	113.3	K189 N190 L191 S197	K189-P193 WeakPolarHBondContact O-CD 3.4Å; N190-P193 WeakPolarHBondContact O-CD 3.28Å; N190-P193 WeakPolarHBondContact O-CG 3.47Å; L191-P193 VanDerWaalsContact O-N 3.16Å; P193-S197 WeakPolarHBondContact O-CB 3.31Å; P193-S197 PolarHBondContact O-N 3.49Å; P193-S197 VanDerWaalsContact O-N 3.17Å
194	H	94.4	Very high	92.2	Very high	73 Å²	73	60.2 Å²	60.2	34%	0.338	33%	0.329	S	S	.	.	H	α-helix	trans	-73.1	-39.9	174.9	-66.7	-61.9	0	0	0	111.6	L191 A192 S197 A198 R251 A253	L191-H194 HydrophobicContact CD1-CB 4.35Å; L191-H194 CarbonylContact O-C 3.58Å; L191-H194 WeakPolarHBondContact O-CA 3.07Å; L191-H194 WeakPolarHBondContact O-CB 3.35Å; L191-H194 PolarHBondContact O-N 2.58Å; A192-H194 VanDerWaalsContact C-N 3.32Å; A192-H194 PolarHBondContact O-N 3.4Å; H194-S197 PolarHBondContact O-N 2.8Å; H194-A198 WeakPolarHBondContact O-CB 3.49Å; H194-A198 PolarHBondContact O-N 2.85Å; H194-R251 WeakPolarHBondContact CB-O 3.19Å; H194-R251 PolarHBondContact CD2-O 2.87Å; H194-A253 HydrophobicContact CB-CB 4.26Å; H194-A253 PolarHBondContact ND1-N 2.82Å
195	W	96.5	Very high	92.6	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.015	32%	0.315	C	S	.	.	H	α-helix	trans	-61.2	-46.8	176.6	-160.8	-115	0	0	0	111.8	L177 E179 L191 A192 S197 A198 A199 V208 A209 I231 I256	L177-W195 HydrophobicContact CB-CH2 3.87Å; L177-W195 HydrophobicContact CB-CZ2 4.15Å; E179-W195 HydrophobicContact CB-CD2 4.19Å; E179-W195 HydrophobicContact CB-CH2 4.3Å; E179-W195 HydrophobicContact CB-CZ2 3.68Å; L191-W195 HydrophobicContact CD1-CE3 4.4Å; L191-W195 HydrophobicContact CD2-CE3 4.41Å; L191-W195 HydrophobicContact CG-CB 4.36Å; L191-W195 PolarHBondContact O-N 3.29Å; A192-W195 PolarHBondContact O-N 3.5Å; W195-S197 PolarHBondContact O-N 2.92Å; W195-A198 PolarHBondContact O-N 3.29Å; W195-A199 WeakPolarHBondContact O-CB 3.43Å; W195-A199 PolarHBondContact O-N 2.9Å; W195-V208 HydrophobicContact CD2-CG1 3.96Å; W195-V208 HydrophobicContact CG-CG1 4.3Å; W195-V208 HydrophobicContact CH2-CG1 4.37Å; W195-V208 HydrophobicContact CZ2-CG1 3.59Å; W195-A209 WeakPolarHBondContact CZ2-O 2.78Å; W195-A209 PolarHBondContact NE1-O 2.92Å; W195-I231 HydrophobicContact CE3-CD1 4.19Å; W195-I231 HydrophobicContact CH2-CB 4.35Å; W195-I231 HydrophobicContact CH2-CD1 4.03Å; W195-I231 HydrophobicContact CH2-CG1 3.86Å; W195-I231 HydrophobicContact CH2-CG2 3.52Å; W195-I231 HydrophobicContact CZ3-CD1 3.48Å; W195-I231 VanDerWaalsContact CZ3-CD1 3.48Å; W195-I231 HydrophobicContact CZ3-CG1 3.83Å; W195-I231 HydrophobicContact CZ3-CG2 4.05Å; W195-I256 HydrophobicContact CE3-CD1 3.86Å; W195-I256 HydrophobicContact CE3-CG2 4.44Å; W195-I256 HydrophobicContact CZ3-CD1 4.12Å; W195-I256 HydrophobicContact CZ3-CG1 4.46Å; W195-I256 HydrophobicContact CZ3-CG2 3.99Å
196	Q	95.2	Very high	93	Very high	82 Å²	82	56.1 Å²	56.1	38%	0.383	31%	0.313	S	S	.	.	H	α-helix	trans	-61.5	-43.9	174.9	-71.5	175	-7.1	0	0	112.1	V157 A192 A198 A199 T200	V157-Q196 HydrophobicContact CG2-CB 4.49Å; V157-Q196 HydrophobicContact CG2-CG 4.01Å; A192-Q196 VanDerWaalsContact O-CG 3.31Å; A192-Q196 WeakPolarHBondContact O-CG 3.3Å; A192-Q196 PolarHBondContact O-N 2.89Å; Q196-A198 PolarHBondContact O-N 3.04Å; Q196-A199 WeakPolarHBondContact O-CB 3.45Å; Q196-A199 PolarHBondContact O-N 3.12Å; Q196-T200 PolarHBondContact O-N 3.43Å; Q196-T200 PolarHBondContact O-OG1 3.45Å
197	S	94.7	Very high	93.4	Very high	51 Å²	51	57.7 Å²	57.7	36%	0.357	31%	0.307	S	S	.	.	H	α-helix	trans	-63.6	-40.1	176.8	-178.6	0	0	0	0	112.4	P193 H194 W195 T200 Q201	P193-S197 WeakPolarHBondContact O-CB 3.31Å; P193-S197 PolarHBondContact O-N 3.49Å; P193-S197 VanDerWaalsContact O-N 3.17Å; H194-S197 PolarHBondContact O-N 2.8Å; W195-S197 PolarHBondContact O-N 2.92Å; S197-T200 PolarHBondContact O-N 2.98Å; S197-Q201 WeakPolarHBondContact O-CG 3.33Å; S197-Q201 PolarHBondContact O-N 3.36Å; S197-Q201 VanDerWaalsContact O-N 3.08Å; S197-Q201 PolarHBondContact O-NE2 3.25Å; S197-Q201 PolarHBondContact OG-NE2 2.74Å; S197-Q201 VanDerWaalsContact OG-NE2 3.1Å
198	A	96.4	Very high	93.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.4	-43.2	175	0	0	0	0	0	111.3	H194 W195 Q196 T200 Q201 L202 I256 V257	H194-A198 WeakPolarHBondContact O-CB 3.49Å; H194-A198 PolarHBondContact O-N 2.85Å; W195-A198 PolarHBondContact O-N 3.29Å; Q196-A198 PolarHBondContact O-N 3.04Å; A198-T200 VanDerWaalsContact C-N 3.34Å; A198-T200 PolarHBondContact O-N 3.47Å; A198-Q201 PolarHBondContact O-N 3.07Å; A198-Q201 VanDerWaalsContact O-N 3.16Å; A198-L202 VanDerWaalsContact O-CB 3.3Å; A198-L202 WeakPolarHBondContact O-CB 3.39Å; A198-L202 WeakPolarHBondContact O-CG 3.21Å; A198-L202 PolarHBondContact O-N 3.29Å; A198-I256 HydrophobicContact CB-CB 4.07Å; A198-I256 HydrophobicContact CB-CG2 3.7Å; A198-V257 HydrophobicContact CB-CG2 4Å
199	A	97.2	Very high	94.2	Very high	3 Å²	3	52.2 Å²	52.2	3%	0.025	28%	0.281	C	S	.	.	H	α-helix	trans	-56.6	-45.5	175.7	0	0	0	0	0	112.4	D156 V157 W195 Q196 L202 K203 V208	D156-A199 HydrophobicContact CB-CB 3.91Å; V157-A199 HydrophobicContact CG2-CB 3.57Å; W195-A199 WeakPolarHBondContact O-CB 3.43Å; W195-A199 PolarHBondContact O-N 2.9Å; Q196-A199 WeakPolarHBondContact O-CB 3.45Å; Q196-A199 PolarHBondContact O-N 3.12Å; A199-L202 PolarHBondContact O-N 2.89Å; A199-K203 PolarHBondContact O-N 3.03Å; A199-K203 VanDerWaalsContact O-N 3.12Å; A199-V208 HydrophobicContact CB-CB 3.62Å; A199-V208 HydrophobicContact CB-CG1 3.79Å; A199-V208 HydrophobicContact CB-CG2 4.16Å
200	T	95.7	Very high	94.6	Very high	85 Å²	85	46.7 Å²	46.7	52%	0.521	26%	0.259	S	S	.	.	H	α-helix	trans	-65.2	-40.8	176.2	-62.9	0	0	0	0	112.3	D156 Q196 S197 A198 K203	D156-T200 WeakPolarHBondContact OD2-CA 3.13Å; D156-T200 WeakPolarHBondContact OD2-CB 3.34Å; D156-T200 PolarHBondContact OD2-OG1 3.14Å; Q196-T200 PolarHBondContact O-N 3.43Å; Q196-T200 PolarHBondContact O-OG1 3.45Å; S197-T200 PolarHBondContact O-N 2.98Å; A198-T200 VanDerWaalsContact C-N 3.34Å; A198-T200 PolarHBondContact O-N 3.47Å; T200-K203 WeakPolarHBondContact O-CB 3.38Å
201	Q	94.4	Very high	94.8	Very high	94 Å²	94	43.4 Å²	43.4	44%	0.439	24%	0.242	S	C	.	.	H	α-helix	trans	-71.6	-31.6	179.8	-74.3	175.9	78.5	0	0	113.3	S197 A198 R205 V257	S197-Q201 WeakPolarHBondContact O-CG 3.33Å; S197-Q201 PolarHBondContact O-N 3.36Å; S197-Q201 VanDerWaalsContact O-N 3.08Å; S197-Q201 PolarHBondContact O-NE2 3.25Å; S197-Q201 PolarHBondContact OG-NE2 2.74Å; S197-Q201 VanDerWaalsContact OG-NE2 3.1Å; A198-Q201 PolarHBondContact O-N 3.07Å; A198-Q201 VanDerWaalsContact O-N 3.16Å; Q201-R205 PolarHBondContact O-NH2 3.1Å; Q201-V257 HydrophobicContact CB-CG2 3.84Å
202	L	95	Very high	94.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-89.8	-3.8	-179	-69.7	172.2	0	0	0	113.6	L177 A198 A199 G204 R205 V206 V208 V257 A260 E261	L177-L202 HydrophobicContact CD1-CD1 4.26Å; A198-L202 VanDerWaalsContact O-CB 3.3Å; A198-L202 WeakPolarHBondContact O-CB 3.39Å; A198-L202 WeakPolarHBondContact O-CG 3.21Å; A198-L202 PolarHBondContact O-N 3.29Å; A199-L202 PolarHBondContact O-N 2.89Å; L202-G204 PolarHBondContact O-N 3.1Å; L202-R205 WeakPolarHBondContact O-CA 3.38Å; L202-R205 WeakPolarHBondContact O-CB 3.27Å; L202-R205 PolarHBondContact O-N 3.35Å; L202-V206 HydrophobicContact CB-CB 4.05Å; L202-V206 HydrophobicContact CD1-CB 4.24Å; L202-V206 HydrophobicContact CD2-CB 4.42Å; L202-V206 HydrophobicContact CD2-CG2 4.12Å; L202-V206 HydrophobicContact CG-CB 4.47Å; L202-V206 PolarHBondContact O-N 2.89Å; L202-V208 HydrophobicContact CB-CG2 4.3Å; L202-V208 HydrophobicContact CD1-CG2 3.9Å; L202-V257 HydrophobicContact CD1-CG2 4.45Å; L202-V257 HydrophobicContact CD2-CG1 4.12Å; L202-V257 HydrophobicContact CG-CG2 4.13Å; L202-A260 HydrophobicContact CD1-CB 3.68Å; L202-A260 HydrophobicContact CD2-CB 3.97Å; L202-E261 HydrophobicContact CD2-CG 4.2Å
203	K	92.5	Very high	94.7	Very high	138 Å²	138	43.5 Å²	43.5	60%	0.6	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.8	127.5	-178.9	-170.6	174.4	-171.4	157	0	112	D156 A199 T200 R205	D156-K203 WeakPolarHBondContact OD1-CD 3.41Å; D156-K203 WeakPolarHBondContact OD1-CE 3.45Å; D156-K203 IonicContact OD1-NZ 3.14Å; D156-K203 PolarHBondContact OD1-NZ 2.73Å; A199-K203 PolarHBondContact O-N 3.03Å; A199-K203 VanDerWaalsContact O-N 3.12Å; T200-K203 WeakPolarHBondContact O-CB 3.38Å; K203-R205 VanDerWaalsContact C-N 3.3Å
204	G	89.7	Confident	94.1	Very high	74 Å²	74	42.9 Å²	42.9	76%	0.763	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.7	-1.8	-178.2	0	0	0	0	0	115.1	L202	L202-G204 PolarHBondContact O-N 3.1Å
205	R	90.3	Very high	93.6	Very high	101 Å²	101	44.2 Å²	44.2	38%	0.381	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-40.3	179.2	-59	-179.2	-70.5	156.6	4.5	112.3	Q201 L202 K203 E261 L264	Q201-R205 PolarHBondContact O-NH2 3.1Å; L202-R205 WeakPolarHBondContact O-CA 3.38Å; L202-R205 WeakPolarHBondContact O-CB 3.27Å; L202-R205 PolarHBondContact O-N 3.35Å; K203-R205 VanDerWaalsContact C-N 3.3Å; R205-E261 IonicContact CZ-OE1 2.64Å; R205-E261 IonicContact NH1-OE1 2.62Å; R205-E261 PolarHBondContact NH1-OE1 3.01Å; R205-E261 IonicContact NH2-OE1 2.87Å; R205-E261 PolarHBondContact NH2-OE1 3.34Å; R205-L264 HydrophobicContact CB-CD2 4.03Å
206	V	94.8	Very high	93.2	Very high	4 Å²	4	45 Å²	45	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	136	177.5	-174.3	0	0	0	0	108.3	M175 L177 L202 A260 L264	M175-V206 HydrophobicContact CB-CG1 4.3Å; M175-V206 HydrophobicContact CE-CB 4.18Å; M175-V206 HydrophobicContact CE-CG1 3.64Å; M175-V206 HydrophobicContact CE-CG2 3.41Å; M175-V206 VanDerWaalsContact CE-CG2 3.41Å; M175-V206 HydrophobicContact CG-CG1 4.49Å; M175-V206 WeakPolarHBondContact O-CG1 3.41Å; L177-V206 HydrophobicContact CD1-CG1 4.4Å; L177-V206 HydrophobicContact CG-CG1 4Å; L202-V206 HydrophobicContact CB-CB 4.05Å; L202-V206 HydrophobicContact CD1-CB 4.24Å; L202-V206 HydrophobicContact CD2-CB 4.42Å; L202-V206 HydrophobicContact CD2-CG2 4.12Å; L202-V206 HydrophobicContact CG-CB 4.47Å; L202-V206 PolarHBondContact O-N 2.89Å; V206-A260 HydrophobicContact CG2-CB 4.3Å; V206-L264 HydrophobicContact CG2-CD2 4.28Å
207	K	96	Very high	92.9	Very high	76 Å²	76	44.3 Å²	44.3	33%	0.33	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	126.5	173.6	-62	-70.1	179.8	171.4	0	108.7	I158 D174 M175 W176 L177	I158-K207 HydrophobicContact CD1-CB 4.34Å; I158-K207 HydrophobicContact CD1-CD 3.9Å; D174-K207 HydrophobicContact CB-CG 3.76Å; D174-K207 WeakPolarHBondContact OD2-CE 3.37Å; D174-K207 IonicContact OD2-NZ 3.36Å; M175-K207 PolarHBondContact O-N 2.97Å; W176-K207 CarbonylContact C-O 3.51Å; W176-K207 WeakPolarHBondContact CA-O 3.39Å; W176-K207 HydrophobicContact CD2-CB 3.39Å; W176-K207 HydrophobicContact CD2-CG 4.08Å; W176-K207 HydrophobicContact CE3-CB 3.54Å; W176-K207 HydrophobicContact CG-CB 3.91Å; W176-K207 HydrophobicContact CH2-CB 3.96Å; W176-K207 HydrophobicContact CH2-CG 4.2Å; W176-K207 HydrophobicContact CZ2-CB 3.82Å; W176-K207 HydrophobicContact CZ2-CD 4.35Å; W176-K207 HydrophobicContact CZ2-CG 3.74Å; W176-K207 HydrophobicContact CZ3-CB 3.83Å; L177-K207 PolarHBondContact N-O 2.87Å
208	V	97.8	Very high	92.6	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.012	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	128.6	179	-179.5	0	0	0	0	108.1	V157 I158 L177 W195 A199 L202	V157-V208 WeakPolarHBondContact CA-O 3.5Å; I158-V208 PolarHBondContact N-O 3.1Å; L177-V208 CarbonylContact O-C 3.51Å; L177-V208 WeakPolarHBondContact O-CA 3.18Å; W195-V208 HydrophobicContact CD2-CG1 3.96Å; W195-V208 HydrophobicContact CG-CG1 4.3Å; W195-V208 HydrophobicContact CH2-CG1 4.37Å; W195-V208 HydrophobicContact CZ2-CG1 3.59Å; A199-V208 HydrophobicContact CB-CB 3.62Å; A199-V208 HydrophobicContact CB-CG1 3.79Å; A199-V208 HydrophobicContact CB-CG2 4.16Å; L202-V208 HydrophobicContact CB-CG2 4.3Å; L202-V208 HydrophobicContact CD1-CG2 3.9Å
209	A	97.6	Very high	92.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	161.8	-171.5	0	0	0	0	0	112.2	I158 L160 W176 L177 V178 E179 W195	I158-A209 HydrophobicContact CB-CB 4.11Å; I158-A209 CarbonylContact O-C 3.53Å; I158-A209 WeakPolarHBondContact O-CA 3.36Å; I158-A209 VanDerWaalsContact O-CB 3.28Å; I158-A209 WeakPolarHBondContact O-CB 3.5Å; L160-A209 HydrophobicContact CD1-CB 3.6Å; L160-A209 HydrophobicContact CG-CB 3.85Å; W176-A209 HydrophobicContact CE3-CB 3.9Å; W176-A209 HydrophobicContact CZ3-CB 3.87Å; L177-A209 PolarHBondContact O-N 2.96Å; V178-A209 WeakPolarHBondContact CA-O 3.35Å; V178-A209 HydrophobicContact CG2-CB 4.27Å; E179-A209 PolarHBondContact N-O 2.98Å; W195-A209 WeakPolarHBondContact CZ2-O 2.78Å; W195-A209 PolarHBondContact NE1-O 2.92Å
210	A	97	Very high	92	Very high	13 Å²	13	46.6 Å²	46.6	11%	0.107	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	144	175.6	0	0	0	0	0	110.2	V157 I158 L160 E179 F181	V157-A210 HydrophobicContact CG1-CB 3.88Å; I158-A210 PolarHBondContact O-N 2.79Å; L160-A210 PolarHBondContact N-O 3.14Å; E179-A210 HydrophobicContact CB-CB 4.42Å; E179-A210 CarbonylContact O-C 3.49Å; E179-A210 WeakPolarHBondContact O-CA 3.5Å; F181-A210 HydrophobicContact CD1-CB 4.04Å; F181-A210 HydrophobicContact CE1-CB 3.92Å
211	I	95.5	Very high	91.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	124.7	176.6	-179.8	161.4	0	0	0	109.3	L160 F165 V178 E179 F180 F181 A213 N216 M219	L160-I211 HydrophobicContact CB-CB 4.17Å; L160-I211 HydrophobicContact CB-CD1 4.5Å; L160-I211 WeakPolarHBondContact O-CG1 3.4Å; F165-I211 HydrophobicContact CD2-CD1 3.78Å; F165-I211 HydrophobicContact CE2-CD1 4.23Å; F165-I211 HydrophobicContact CE2-CG2 4.44Å; V178-I211 HydrophobicContact CG1-CG2 3.88Å; E179-I211 WeakPolarHBondContact O-CG2 3.49Å; E179-I211 PolarHBondContact O-N 2.83Å; F180-I211 HydrophobicContact CB-CG2 4.3Å; F180-I211 HydrophobicContact CD1-CG2 3.34Å; F180-I211 HydrophobicContact CD2-CG2 4.22Å; F180-I211 HydrophobicContact CE1-CG2 3.56Å; F180-I211 HydrophobicContact CE2-CG2 4.38Å; F180-I211 HydrophobicContact CG-CG2 3.7Å; F180-I211 HydrophobicContact CZ-CG2 4.07Å; F181-I211 WeakPolarHBondContact CD1-O 3.41Å; F181-I211 VanDerWaalsContact CE1-C 3.45Å; F181-I211 PolarHBondContact N-O 2.97Å; I211-A213 PolarHBondContact O-N 2.84Å; I211-A213 VanDerWaalsContact O-N 3.1Å; I211-N216 HydrophobicContact CD1-CB 3.66Å; I211-N216 HydrophobicContact CG1-CB 3.67Å; I211-M219 HydrophobicContact CD1-CB 3.97Å; I211-M219 HydrophobicContact CD1-CG 4.23Å
212	D	91.7	Very high	91.7	Very high	32 Å²	32	50.8 Å²	50.8	17%	0.171	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	101.6	171.8	-175.1	-17.9	0	0	0	108.4	F181 P183 T214 V215 N216	F181-D212 HydrophobicContact CE1-CB 4.06Å; F181-D212 HydrophobicContact CE2-CB 4.33Å; F181-D212 HydrophobicContact CZ-CB 3.8Å; P183-D212 WeakPolarHBondContact CD-OD1 3.49Å; P183-D212 WeakPolarHBondContact CD-OD2 3.32Å; P183-D212 WeakPolarHBondContact CG-OD2 3.36Å; D212-T214 PolarHBondContact O-N 2.81Å; D212-T214 WeakPolarHBondContact OD1-CA 3.49Å; D212-T214 VanDerWaalsContact OD1-CB 3.31Å; D212-T214 WeakPolarHBondContact OD1-CB 3.47Å; D212-T214 PolarHBondContact OD1-N 2.89Å; D212-T214 PolarHBondContact OD1-OG1 3.27Å; D212-T214 PolarHBondContact OD2-OG1 2.81Å; D212-V215 PolarHBondContact O-N 2.95Å; D212-N216 WeakPolarHBondContact O-CB 3.37Å; D212-N216 PolarHBondContact O-N 3.14Å; D212-N216 PolarHBondContact O-ND2 2.66Å
213	A	92.5	Very high	91.7	Very high	8 Å²	8	52.1 Å²	52.1	7%	0.066	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-6.1	-177.1	0	0	0	0	0	113	F180 F181 I211 A220 F228	F180-A213 HydrophobicContact CB-CB 4.32Å; F180-A213 HydrophobicContact CD1-CB 4.38Å; F181-A213 PolarHBondContact O-N 2.85Å; I211-A213 PolarHBondContact O-N 2.84Å; I211-A213 VanDerWaalsContact O-N 3.1Å; A213-A220 HydrophobicContact CB-CB 3.87Å; A213-F228 HydrophobicContact CB-CD1 4.44Å; A213-F228 HydrophobicContact CB-CE1 3.43Å; A213-F228 VanDerWaalsContact CB-CE1 3.43Å; A213-F228 HydrophobicContact CB-CZ 3.88Å
214	T	81.4	Confident	91.7	Very high	60 Å²	60	47.8 Å²	47.8	37%	0.368	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-22.2	173.3	71.7	0	0	0	0	112.5	A182 D212	A182-T214 HydrophobicContact CB-CG2 3.48Å; A182-T214 VanDerWaalsContact CB-CG2 3.48Å; D212-T214 PolarHBondContact O-N 2.81Å; D212-T214 WeakPolarHBondContact OD1-CA 3.49Å; D212-T214 VanDerWaalsContact OD1-CB 3.31Å; D212-T214 WeakPolarHBondContact OD1-CB 3.47Å; D212-T214 PolarHBondContact OD1-N 2.89Å; D212-T214 PolarHBondContact OD1-OG1 3.27Å; D212-T214 PolarHBondContact OD2-OG1 2.81Å
215	V	84.8	Confident	91.9	Very high	102 Å²	102	45.6 Å²	45.6	62%	0.618	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-40.3	177.2	-178.6	0	0	0	0	110.9	D212 T217	D212-V215 PolarHBondContact O-N 2.95Å; V215-T217 PolarHBondContact O-N 3.02Å
216	N	88	Confident	91.9	Very high	21 Å²	21	50.1 Å²	50.1	11%	0.112	27%	0.27	C	S	.	.			trans	-97.6	73.7	-177.5	-58.6	-82.4	0	0	0	110.5	T161 D162 I211 D212	T161-N216 WeakPolarHBondContact CA-OD1 3.31Å; T161-N216 WeakPolarHBondContact CB-OD1 3.48Å; D162-N216 HydrophobicContact CB-CB 4.48Å; D162-N216 PolarHBondContact N-OD1 3.2Å; D162-N216 WeakPolarHBondContact OD2-CA 3.43Å; I211-N216 HydrophobicContact CD1-CB 3.66Å; I211-N216 HydrophobicContact CG1-CB 3.67Å; D212-N216 WeakPolarHBondContact O-CB 3.37Å; D212-N216 PolarHBondContact O-N 3.14Å; D212-N216 PolarHBondContact O-ND2 2.66Å
217	T	87.5	Confident	91.7	Very high	66 Å²	66	51.5 Å²	51.5	41%	0.405	28%	0.284	S	S	.	.	H	α-helix	trans	-77.9	-20.8	-170.2	57	0	0	0	0	113.8	D162 V215 A220 Q221	D162-T217 PolarHBondContact OD2-N 2.71Å; D162-T217 VanDerWaalsContact OD2-N 3.11Å; V215-T217 PolarHBondContact O-N 3.02Å; T217-A220 PolarHBondContact O-N 3.01Å; T217-Q221 WeakPolarHBondContact O-CB 3.25Å; T217-Q221 VanDerWaalsContact O-CG 3.24Å; T217-Q221 WeakPolarHBondContact O-CG 3.49Å; T217-Q221 PolarHBondContact O-N 2.9Å
218	V	88.7	Confident	91.5	Very high	82 Å²	82	50.4 Å²	50.4	50%	0.497	28%	0.28	S	S	.	.	H	α-helix	trans	-67.7	-50.2	-176	-178.6	0	0	0	0	110.3	D162 Q221 R222	D162-V218 HydrophobicContact CB-CB 4.25Å; D162-V218 HydrophobicContact CB-CG2 4.47Å; D162-V218 PolarHBondContact OD1-N 3.37Å; D162-V218 WeakPolarHBondContact OD2-CB 3.46Å; D162-V218 WeakPolarHBondContact OD2-CG2 3.48Å; D162-V218 PolarHBondContact OD2-N 2.88Å; V218-Q221 PolarHBondContact O-N 3.29Å; V218-R222 WeakPolarHBondContact O-CB 3.33Å; V218-R222 PolarHBondContact O-N 2.95Å
219	M	90.8	Very high	91.4	Very high	10 Å²	10	50.9 Å²	50.9	5%	0.049	28%	0.283	C	S	.	.	H	α-helix	trans	-66.2	-40.7	175.8	-65.5	-59	104.9	0	0	111.3	D162 F165 F180 I211 Q221 R222 F223	D162-M219 WeakPolarHBondContact OD1-CG 3.35Å; D162-M219 PolarHBondContact OD1-N 3.5Å; F165-M219 HydrophobicContact CB-CG 3.74Å; F165-M219 HydrophobicContact CB-SD 3.9Å; F165-M219 HydrophobicContact CD1-CG 4.13Å; F165-M219 HydrophobicContact CD1-SD 3.62Å; F165-M219 HydrophobicContact CD2-CB 4.27Å; F165-M219 HydrophobicContact CD2-CG 3.83Å; F165-M219 HydrophobicContact CD2-SD 4.43Å; F165-M219 HydrophobicContact CE1-SD 4.23Å; F165-M219 HydrophobicContact CE2-CB 4.45Å; F165-M219 HydrophobicContact CE2-CG 4.43Å; F165-M219 HydrophobicContact CG-CG 3.66Å; F165-M219 HydrophobicContact CG-SD 3.75Å; F180-M219 HydrophobicContact CE1-CB 4.13Å; I211-M219 HydrophobicContact CD1-CB 3.97Å; I211-M219 HydrophobicContact CD1-CG 4.23Å; M219-Q221 VanDerWaalsContact C-N 3.29Å; M219-Q221 PolarHBondContact O-N 2.9Å; M219-R222 PolarHBondContact O-N 2.92Å; M219-F223 HydrophobicContact CB-CD2 4.39Å; M219-F223 HydrophobicContact CB-CE2 4.39Å; M219-F223 WeakPolarHBondContact O-CD2 3.34Å; M219-F223 PolarHBondContact O-N 3.46Å; M219-F223 HydrophobicContact SD-CE2 4.21Å
220	A	90.6	Very high	91.3	Very high	11 Å²	11	51.9 Å²	51.9	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-58.4	-40.9	177.3	0	0	0	0	0	112.4	A213 T217 G224 I225	A213-A220 HydrophobicContact CB-CB 3.87Å; T217-A220 PolarHBondContact O-N 3.01Å; A220-G224 PolarHBondContact O-N 2.85Å; A220-I225 HydrophobicContact CB-CB 4.36Å; A220-I225 HydrophobicContact CB-CG1 4.35Å; A220-I225 WeakPolarHBondContact O-CG1 3.29Å; A220-I225 PolarHBondContact O-N 3.36Å
221	Q	91.5	Very high	91.4	Very high	151 Å²	151	51.7 Å²	51.7	71%	0.706	29%	0.286	S	S	*	.	H	α-helix	trans	-69	-45.4	174.5	-74.3	174.9	8.4	0	0	112	T217 V218 M219 F223 G224	T217-Q221 WeakPolarHBondContact O-CB 3.25Å; T217-Q221 VanDerWaalsContact O-CG 3.24Å; T217-Q221 WeakPolarHBondContact O-CG 3.49Å; T217-Q221 PolarHBondContact O-N 2.9Å; V218-Q221 PolarHBondContact O-N 3.29Å; M219-Q221 VanDerWaalsContact C-N 3.29Å; M219-Q221 PolarHBondContact O-N 2.9Å; Q221-F223 VanDerWaalsContact C-N 3.28Å; Q221-F223 PolarHBondContact O-N 3.39Å; Q221-G224 PolarHBondContact O-N 3.29Å
222	R	93.3	Very high	91.5	Very high	116 Å²	116	53 Å²	53	44%	0.438	29%	0.291	S	S	.	.	H	α-helix	trans	-55.4	-42.6	178.9	-177.1	175.1	-175.9	157.3	0.8	112.1	E166 V218 M219 G224	E166-R222 IonicContact OE2-NH1 2.77Å; E166-R222 PolarHBondContact OE2-NH1 3.38Å; V218-R222 WeakPolarHBondContact O-CB 3.33Å; V218-R222 PolarHBondContact O-N 2.95Å; M219-R222 PolarHBondContact O-N 2.92Å; R222-G224 VanDerWaalsContact C-N 3.34Å
223	F	94	Very high	91.7	Very high	28 Å²	28	51.6 Å²	51.6	12%	0.123	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	4.7	179.9	-65.2	-67.4	0	0	0	114.4	F165 F180 M219 Q221 I225 F234 L241 A244	F165-F223 HydrophobicContact CD1-CE2 4.32Å; F165-F223 AromaticContact CE1-CE2 3.42Å; F165-F223 HydrophobicContact CE1-CE2 3.42Å; F165-F223 VanDerWaalsContact CE1-CE2 3.42Å; F165-F223 AromaticContact CE1-CZ 3.68Å; F165-F223 HydrophobicContact CE1-CZ 3.68Å; F165-F223 HydrophobicContact CE2-CE2 4.4Å; F165-F223 HydrophobicContact CZ-CD2 4.3Å; F165-F223 AromaticContact CZ-CE2 3.49Å; F165-F223 HydrophobicContact CZ-CE2 3.49Å; F165-F223 VanDerWaalsContact CZ-CE2 3.49Å; F165-F223 HydrophobicContact CZ-CZ 4.03Å; F180-F223 HydrophobicContact CE1-CD2 4Å; F180-F223 HydrophobicContact CE2-CD2 4.35Å; F180-F223 HydrophobicContact CZ-CB 4.42Å; F180-F223 AromaticContact CZ-CD2 3.45Å; F180-F223 HydrophobicContact CZ-CD2 3.45Å; F180-F223 VanDerWaalsContact CZ-CD2 3.45Å; F180-F223 HydrophobicContact CZ-CE2 4.04Å; F180-F223 HydrophobicContact CZ-CG 4.14Å; M219-F223 HydrophobicContact CB-CD2 4.39Å; M219-F223 HydrophobicContact CB-CE2 4.39Å; M219-F223 WeakPolarHBondContact O-CD2 3.34Å; M219-F223 PolarHBondContact O-N 3.46Å; M219-F223 HydrophobicContact SD-CE2 4.21Å; Q221-F223 VanDerWaalsContact C-N 3.28Å; Q221-F223 PolarHBondContact O-N 3.39Å; F223-I225 HydrophobicContact CB-CD1 3.91Å; F223-I225 HydrophobicContact CB-CG1 4.15Å; F223-I225 PolarHBondContact O-N 3.2Å; F223-F234 AromaticContact CE1-CE1 3.81Å; F223-F234 HydrophobicContact CE1-CE1 3.81Å; F223-F234 AromaticContact CE1-CZ 3.77Å; F223-F234 HydrophobicContact CE1-CZ 3.77Å; F223-F234 HydrophobicContact CE2-CZ 4.17Å; F223-F234 AromaticContact CZ-CE1 3.68Å; F223-F234 HydrophobicContact CZ-CE1 3.68Å; F223-F234 AromaticContact CZ-CZ 3.52Å; F223-F234 HydrophobicContact CZ-CZ 3.52Å; F223-L241 HydrophobicContact CE1-CB 4.36Å; F223-L241 WeakPolarHBondContact CE1-O 3.48Å; F223-L241 HydrophobicContact CZ-CB 4.02Å; F223-L241 HydrophobicContact CZ-CD2 4.24Å; F223-L241 HydrophobicContact CZ-CG 4.49Å; F223-A244 HydrophobicContact CD1-CB 4.2Å; F223-A244 HydrophobicContact CE1-CB 3.84Å
224	G	93.5	Very high	91.8	Very high	47 Å²	47	51.2 Å²	51.2	49%	0.485	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	40.2	177.9	0	0	0	0	0	113.6	A220 Q221 R222 Q226	A220-G224 PolarHBondContact O-N 2.85Å; Q221-G224 PolarHBondContact O-N 3.29Å; R222-G224 VanDerWaalsContact C-N 3.34Å; G224-Q226 PolarHBondContact O-N 3.03Å
225	I	93.5	Very high	92.2	Very high	27 Å²	27	49.3 Å²	49.3	14%	0.138	27%	0.269	C	S	.	.			trans	-70	113.5	-177.1	-53.3	-60	0	0	0	110.3	F180 A220 F223 G227 F228 T230	F180-I225 HydrophobicContact CB-CD1 4.17Å; F180-I225 HydrophobicContact CB-CG1 4.17Å; F180-I225 HydrophobicContact CB-CG2 4.08Å; F180-I225 HydrophobicContact CD1-CD1 4.12Å; F180-I225 HydrophobicContact CD1-CG1 3.73Å; F180-I225 HydrophobicContact CD2-CD1 3.8Å; F180-I225 HydrophobicContact CD2-CG1 4.34Å; F180-I225 HydrophobicContact CE1-CD1 4.5Å; F180-I225 HydrophobicContact CE1-CG1 4.19Å; F180-I225 HydrophobicContact CE2-CD1 4.22Å; F180-I225 HydrophobicContact CG-CD1 3.76Å; F180-I225 HydrophobicContact CG-CG1 3.82Å; A220-I225 HydrophobicContact CB-CB 4.36Å; A220-I225 HydrophobicContact CB-CG1 4.35Å; A220-I225 WeakPolarHBondContact O-CG1 3.29Å; A220-I225 PolarHBondContact O-N 3.36Å; F223-I225 HydrophobicContact CB-CD1 3.91Å; F223-I225 HydrophobicContact CB-CG1 4.15Å; F223-I225 PolarHBondContact O-N 3.2Å; I225-G227 WeakPolarHBondContact CG2-O 3.35Å; I225-F228 HydrophobicContact CG2-CD1 4.17Å; I225-F228 HydrophobicContact CG2-CE1 3.69Å; I225-T230 HydrophobicContact CD1-CG2 3.68Å
226	Q	90.1	Very high	92.4	Very high	197 Å²	197	46.3 Å²	46.3	92%	0.921	25%	0.253	S	S	*	.			trans	-105.5	-11.7	-177.1	-67.3	178.4	1.5	0	0	114.1	G224	G224-Q226 PolarHBondContact O-N 3.03Å
227	G	90.1	Very high	92.1	Very high	32 Å²	32	46.5 Å²	46.5	33%	0.33	26%	0.26	S	S	.	.	S	Bend	trans	-159	171.4	-176.1	0	0	0	0	0	112	I225 T230	I225-G227 WeakPolarHBondContact CG2-O 3.35Å; G227-T230 PolarHBondContact O-OG1 2.99Å
228	F	92.4	Very high	91.6	Very high	54 Å²	54	48.4 Å²	48.4	24%	0.237	28%	0.283	C	S	.	.	S	Bend	trans	-133.4	143.6	-175.3	-54.2	-61.8	0	0	0	112.8	A182 W184 C185 A213 I225	A182-F228 HydrophobicContact CB-CB 4.44Å; A182-F228 HydrophobicContact CB-CD1 4.48Å; A182-F228 HydrophobicContact CB-CD2 3.45Å; A182-F228 VanDerWaalsContact CB-CD2 3.45Å; A182-F228 HydrophobicContact CB-CE2 3.71Å; A182-F228 HydrophobicContact CB-CG 3.87Å; A182-F228 HydrophobicContact CB-CZ 4.34Å; W184-F228 HydrophobicContact CH2-CD2 4.23Å; W184-F228 HydrophobicContact CH2-CE2 4.43Å; W184-F228 HydrophobicContact CZ2-CD2 4.42Å; W184-F228 HydrophobicContact CZ2-CE2 4.29Å; C185-F228 HydrophobicContact CB-CB 4.29Å; A213-F228 HydrophobicContact CB-CD1 4.44Å; A213-F228 HydrophobicContact CB-CE1 3.43Å; A213-F228 VanDerWaalsContact CB-CE1 3.43Å; A213-F228 HydrophobicContact CB-CZ 3.88Å; I225-F228 HydrophobicContact CG2-CD1 4.17Å; I225-F228 HydrophobicContact CG2-CE1 3.69Å
229	P	94.8	Very high	91.3	Very high	11 Å²	11	45.4 Å²	45.4	7%	0.071	26%	0.263	C	S	.	.	S	Bend	cis	-73	144.2	-13.4	29.8	-33.8	0	0	0	111.3	E179 F180 L191	E179-P229 HydrophobicContact CG-CB 4.04Å; F180-P229 WeakPolarHBondContact O-CA 3.37Å; L191-P229 HydrophobicContact CB-CG 4.48Å; L191-P229 HydrophobicContact CD2-CB 3.72Å; L191-P229 HydrophobicContact CD2-CG 3.6Å
230	T	96.6	Very high	91.1	Very high	21 Å²	21	47.1 Å²	47.1	13%	0.129	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.3	164	-68.8	0	0	0	0	107.9	F180 I225 G227 K232	F180-T230 PolarHBondContact N-O 3.41Å; F180-T230 PolarHBondContact O-N 3.02Å; F180-T230 VanDerWaalsContact O-N 3.14Å; I225-T230 HydrophobicContact CD1-CG2 3.68Å; G227-T230 PolarHBondContact O-OG1 2.99Å; T230-K232 HydrophobicContact CG2-CD 4.5Å
231	I	98	Very high	91	Very high	10 Å²	10	46.8 Å²	46.8	5%	0.051	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	131.9	-179.8	-64	154.6	0	0	0	108.6	V178 E179 L191 W195 Y247	V178-I231 VanDerWaalsContact O-CA 3.31Å; V178-I231 WeakPolarHBondContact O-CA 3.3Å; E179-I231 HydrophobicContact CB-CG1 4.28Å; E179-I231 HydrophobicContact CG-CG1 4.32Å; L191-I231 HydrophobicContact CD2-CD1 3.97Å; W195-I231 HydrophobicContact CE3-CD1 4.19Å; W195-I231 HydrophobicContact CH2-CB 4.35Å; W195-I231 HydrophobicContact CH2-CD1 4.03Å; W195-I231 HydrophobicContact CH2-CG1 3.86Å; W195-I231 HydrophobicContact CH2-CG2 3.52Å; W195-I231 HydrophobicContact CZ3-CD1 3.48Å; W195-I231 VanDerWaalsContact CZ3-CD1 3.48Å; W195-I231 HydrophobicContact CZ3-CG1 3.83Å; W195-I231 HydrophobicContact CZ3-CG2 4.05Å; I231-Y247 HydrophobicContact CB-CD1 4.21Å; I231-Y247 HydrophobicContact CB-CG 4.13Å; I231-Y247 HydrophobicContact CD1-CD1 3.84Å; I231-Y247 HydrophobicContact CD1-CE1 4.27Å; I231-Y247 HydrophobicContact CD1-CG 4.42Å; I231-Y247 HydrophobicContact CG2-CD1 4.43Å; I231-Y247 HydrophobicContact CG2-CG 3.94Å; I231-Y247 WeakPolarHBondContact O-CB 3.43Å; I231-Y247 PolarHBondContact O-N 2.92Å
232	K	97.1	Very high	91	Very high	26 Å²	26	46.1 Å²	46.1	11%	0.113	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.9	173.2	-60.7	-64.9	-169.8	177.3	0	109.8	V178 F180 T230 F234 V245 E246	V178-K232 PolarHBondContact N-O 3.22Å; V178-K232 PolarHBondContact O-N 3.35Å; F180-K232 HydrophobicContact CD2-CG 4.31Å; F180-K232 HydrophobicContact CE2-CB 4.22Å; F180-K232 HydrophobicContact CE2-CG 3.87Å; T230-K232 HydrophobicContact CG2-CD 4.5Å; K232-F234 HydrophobicContact CB-CE2 4.04Å; K232-F234 HydrophobicContact CB-CZ 4.41Å; K232-V245 CarbonylContact C-O 3.6Å; K232-V245 WeakPolarHBondContact CA-O 3.33Å; K232-E246 HydrophobicContact CD-CB 4.21Å; K232-E246 HydrophobicContact CD-CG 4.41Å; K232-E246 IonicContact NZ-OE2 3.86Å; K232-E246 PolarHBondContact NZ-OE2 3.11Å
233	M	95.8	Very high	90.8	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.015	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.1	172.8	-177.1	-141.9	75.5	0	0	109.2	M175 W176 L177 P235 A244 V245 W259 K263	M175-M233 HydrophobicContact CG-CG 4.12Å; M175-M233 HydrophobicContact CG-SD 4.46Å; M175-M233 HydrophobicContact SD-CG 4.08Å; M175-M233 HydrophobicContact SD-SD 3.83Å; W176-M233 CarbonylContact O-C 3.46Å; W176-M233 VanDerWaalsContact O-CA 3.23Å; W176-M233 WeakPolarHBondContact O-CA 3.43Å; L177-M233 HydrophobicContact CD2-CB 3.67Å; L177-M233 HydrophobicContact CD2-CG 3.79Å; M233-P235 HydrophobicContact CE-CB 4.26Å; M233-A244 CarbonylContact O-C 3.51Å; M233-A244 WeakPolarHBondContact O-CA 3.45Å; M233-V245 HydrophobicContact CE-CB 3.98Å; M233-V245 HydrophobicContact CE-CG2 3.93Å; M233-V245 PolarHBondContact N-O 3.39Å; M233-V245 PolarHBondContact O-N 3.21Å; M233-W259 HydrophobicContact CB-CH2 3.64Å; M233-W259 HydrophobicContact CB-CZ3 3.71Å; M233-W259 HydrophobicContact CG-CH2 4.02Å; M233-W259 HydrophobicContact CG-CZ3 3.78Å; M233-W259 HydrophobicContact SD-CH2 3.75Å; M233-W259 HydrophobicContact SD-CZ3 3.79Å; M233-K263 HydrophobicContact SD-CB 3.72Å; M233-K263 HydrophobicContact SD-CD 4.04Å; M233-K263 HydrophobicContact SD-CG 3.88Å
234	F	95	Very high	90.7	Very high	0 Å²	0	44 Å²	44	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.7	169.5	-57.9	-99	0	0	0	107.6	F165 I169 M175 W176 V178 F223 K232 K239 L241 A244	F165-F234 HydrophobicContact CE1-CE1 4.29Å; F165-F234 HydrophobicContact CE1-CE2 4.31Å; F165-F234 AromaticContact CE1-CZ 3.74Å; F165-F234 HydrophobicContact CE1-CZ 3.74Å; F165-F234 AromaticContact CZ-CE2 3.92Å; F165-F234 HydrophobicContact CZ-CE2 3.92Å; F165-F234 AromaticContact CZ-CZ 3.65Å; F165-F234 HydrophobicContact CZ-CZ 3.65Å; I169-F234 HydrophobicContact CD1-CD1 4.45Å; I169-F234 HydrophobicContact CD1-CD2 3.77Å; I169-F234 HydrophobicContact CD1-CE1 4.35Å; I169-F234 HydrophobicContact CD1-CE2 3.69Å; I169-F234 HydrophobicContact CD1-CG 4.17Å; I169-F234 HydrophobicContact CD1-CZ 4Å; I169-F234 HydrophobicContact CG2-CB 3.82Å; I169-F234 HydrophobicContact CG2-CD1 3.68Å; I169-F234 HydrophobicContact CG2-CD2 4.28Å; I169-F234 HydrophobicContact CG2-CE1 4.31Å; I169-F234 HydrophobicContact CG2-CG 3.65Å; M175-F234 WeakPolarHBondContact CA-O 3.19Å; M175-F234 WeakPolarHBondContact CG-O 3.25Å; W176-F234 HydrophobicContact CB-CB 4.21Å; W176-F234 HydrophobicContact CB-CD2 4.28Å; W176-F234 PolarHBondContact N-O 3.34Å; W176-F234 PolarHBondContact O-N 3.12Å; V178-F234 HydrophobicContact CB-CE2 4.17Å; V178-F234 HydrophobicContact CG2-CD2 3.91Å; V178-F234 HydrophobicContact CG2-CE2 3.7Å; F223-F234 AromaticContact CE1-CE1 3.81Å; F223-F234 HydrophobicContact CE1-CE1 3.81Å; F223-F234 AromaticContact CE1-CZ 3.77Å; F223-F234 HydrophobicContact CE1-CZ 3.77Å; F223-F234 HydrophobicContact CE2-CZ 4.17Å; F223-F234 AromaticContact CZ-CE1 3.68Å; F223-F234 HydrophobicContact CZ-CE1 3.68Å; F223-F234 AromaticContact CZ-CZ 3.52Å; F223-F234 HydrophobicContact CZ-CZ 3.52Å; K232-F234 HydrophobicContact CB-CE2 4.04Å; K232-F234 HydrophobicContact CB-CZ 4.41Å; F234-K239 HydrophobicContact CB-CD 4.08Å; F234-L241 HydrophobicContact CD1-CD2 4.38Å; F234-L241 HydrophobicContact CE1-CD2 3.89Å; F234-A244 HydrophobicContact CD1-CB 4.01Å; F234-A244 HydrophobicContact CE1-CB 3.56Å; F234-A244 HydrophobicContact CZ-CB 3.91Å
235	P	90.9	Very high	90.7	Very high	20 Å²	20	45 Å²	45	13%	0.13	27%	0.272	C	S	.	.			trans	-64.3	174.9	-172.8	26.2	-34.1	0	0	0	112.7	M233 K239 D243	M233-P235 HydrophobicContact CE-CB 4.26Å; P235-K239 HydrophobicContact CG-CB 4.39Å; P235-K239 WeakPolarHBondContact O-CD 3.34Å; P235-K239 VanDerWaalsContact O-CE 3.23Å; P235-K239 WeakPolarHBondContact O-CE 3.42Å; P235-K239 PolarHBondContact O-NZ 2.97Å; P235-D243 WeakPolarHBondContact CD-O 3.36Å; P235-D243 HydrophobicContact CG-CB 3.95Å
236	S	88	Confident	90.8	Very high	40 Å²	40	48.4 Å²	48.4	28%	0.28	29%	0.288	S	S	.	.	S	Bend	trans	-78.3	161.5	169.6	-62.5	0	0	0	0	111.5	D173 M175	D173-S236 CarbonylContact O-C 3.51Å; D173-S236 VanDerWaalsContact O-CA 3.29Å; D173-S236 WeakPolarHBondContact O-CA 3.44Å; D173-S236 WeakPolarHBondContact O-CB 3.18Å; M175-S236 WeakPolarHBondContact CB-OG 3.31Å; M175-S236 PolarHBondContact N-OG 3.09Å
237	G	82.7	Confident	91.1	Very high	24 Å²	24	39.9 Å²	39.9	25%	0.247	25%	0.247	C	C	.	.	S	Bend	trans	78.4	-160.8	176.2	0	0	0	0	0	113.9	D173 K239	D173-G237 PolarHBondContact O-N 2.95Å; G237-K239 PolarHBondContact O-N 3.41Å; G237-K239 PolarHBondContact O-NZ 3.4Å
238	A	77.3	Confident	91.1	Very high	107 Å²	107	44 Å²	44	88%	0.884	27%	0.266	S	S	*	.	S	Bend	trans	-59.9	115.8	178.2	0	0	0	0	0	110.1
239	K	81.5	Confident	91	Very high	18 Å²	18	43 Å²	43	8%	0.078	27%	0.272	C	S	.	.			trans	-143.2	150.9	-174.8	63.9	-168.3	173.3	-82.2	0	112.9	I169 S172 D174 F234 P235 G237	I169-K239 HydrophobicContact CG2-CD 4.38Å; I169-K239 WeakPolarHBondContact O-CE 3.32Å; I169-K239 PolarHBondContact O-NZ 3.48Å; S172-K239 PolarHBondContact O-NZ 3.07Å; D174-K239 PolarHBondContact O-NZ 2.9Å; F234-K239 HydrophobicContact CB-CD 4.08Å; P235-K239 HydrophobicContact CG-CB 4.39Å; P235-K239 WeakPolarHBondContact O-CD 3.34Å; P235-K239 VanDerWaalsContact O-CE 3.23Å; P235-K239 WeakPolarHBondContact O-CE 3.42Å; P235-K239 PolarHBondContact O-NZ 2.97Å; G237-K239 PolarHBondContact O-N 3.41Å; G237-K239 PolarHBondContact O-NZ 3.4Å
240	S	87.1	Confident	90.9	Very high	47 Å²	47	44 Å²	44	33%	0.329	28%	0.283	S	S	.	.			trans	-104.2	169.8	167.9	73.8	0	0	0	0	109.9	D242 D243	S240-D242 PolarHBondContact O-N 2.92Å; S240-D242 PolarHBondContact OG-N 2.96Å; S240-D243 WeakPolarHBondContact CA-OD2 3.33Å; S240-D243 PolarHBondContact N-OD2 3.36Å; S240-D243 PolarHBondContact O-N 3.06Å; S240-D243 PolarHBondContact OG-OD2 3.01Å
241	L	88.2	Confident	90.6	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-70.1	-16.9	173.3	-62.8	-178.1	0	0	0	112.5	F165 E166 I169 T170 F223 F234 D243 A244	F165-L241 HydrophobicContact CD1-CD2 4.15Å; F165-L241 HydrophobicContact CE1-CD2 3.92Å; E166-L241 HydrophobicContact CB-CD1 4.1Å; E166-L241 HydrophobicContact CG-CD1 3.84Å; E166-L241 HydrophobicContact CG-CG 4.48Å; I169-L241 HydrophobicContact CB-CD2 4.36Å; I169-L241 HydrophobicContact CG2-CD2 4.13Å; T170-L241 HydrophobicContact CG2-CD2 4.06Å; T170-L241 HydrophobicContact CG2-CG 4.15Å; F223-L241 HydrophobicContact CE1-CB 4.36Å; F223-L241 WeakPolarHBondContact CE1-O 3.48Å; F223-L241 HydrophobicContact CZ-CB 4.02Å; F223-L241 HydrophobicContact CZ-CD2 4.24Å; F223-L241 HydrophobicContact CZ-CG 4.49Å; F234-L241 HydrophobicContact CD1-CD2 4.38Å; F234-L241 HydrophobicContact CE1-CD2 3.89Å; L241-D243 VanDerWaalsContact C-N 3.27Å; L241-D243 PolarHBondContact O-N 3.2Å; L241-A244 WeakPolarHBondContact O-CB 3.24Å
242	D	90.6	Very high	90.4	Very high	136 Å²	136	49.5 Å²	49.5	73%	0.727	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-78	-14.5	178.8	-59.1	-36.6	0	0	0	112.5	S240 A244	S240-D242 PolarHBondContact O-N 2.92Å; S240-D242 PolarHBondContact OG-N 2.96Å; D242-A244 PolarHBondContact O-N 3.25Å
243	D	89.1	Confident	90.2	Very high	74 Å²	74	48.7 Å²	48.7	40%	0.396	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-78.5	5.6	176.8	-57.7	-54.4	0	0	0	113.1	P235 S240 L241 V245	P235-D243 WeakPolarHBondContact CD-O 3.36Å; P235-D243 HydrophobicContact CG-CB 3.95Å; S240-D243 WeakPolarHBondContact CA-OD2 3.33Å; S240-D243 PolarHBondContact N-OD2 3.36Å; S240-D243 PolarHBondContact O-N 3.06Å; S240-D243 PolarHBondContact OG-OD2 3.01Å; L241-D243 VanDerWaalsContact C-N 3.27Å; L241-D243 PolarHBondContact O-N 3.2Å; D243-V245 PolarHBondContact O-N 3.33Å
244	A	92.6	Very high	90.1	Very high	27 Å²	27	52.2 Å²	52.2	22%	0.223	33%	0.329	C	S	.	.			trans	-66.1	123.9	-178.4	0	0	0	0	0	111.9	F223 M233 F234 L241 D242	F223-A244 HydrophobicContact CD1-CB 4.2Å; F223-A244 HydrophobicContact CE1-CB 3.84Å; M233-A244 CarbonylContact O-C 3.51Å; M233-A244 WeakPolarHBondContact O-CA 3.45Å; F234-A244 HydrophobicContact CD1-CB 4.01Å; F234-A244 HydrophobicContact CE1-CB 3.56Å; F234-A244 HydrophobicContact CZ-CB 3.91Å; L241-A244 WeakPolarHBondContact O-CB 3.24Å; D242-A244 PolarHBondContact O-N 3.25Å
245	V	93.6	Very high	90.1	Very high	66 Å²	66	55.1 Å²	55.1	40%	0.4	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	135.4	175.3	-176.9	0	0	0	0	109.6	K232 M233 D243	K232-V245 CarbonylContact C-O 3.6Å; K232-V245 WeakPolarHBondContact CA-O 3.33Å; M233-V245 HydrophobicContact CE-CB 3.98Å; M233-V245 HydrophobicContact CE-CG2 3.93Å; M233-V245 PolarHBondContact N-O 3.39Å; M233-V245 PolarHBondContact O-N 3.21Å; D243-V245 PolarHBondContact O-N 3.33Å
246	E	94.8	Very high	90.4	Very high	99 Å²	99	54.2 Å²	54.2	46%	0.463	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	134.6	175.7	-169.2	157.8	151.3	0	0	112.1	K232	K232-E246 HydrophobicContact CD-CB 4.21Å; K232-E246 HydrophobicContact CD-CG 4.41Å; K232-E246 IonicContact NZ-OE2 3.86Å; K232-E246 PolarHBondContact NZ-OE2 3.11Å
247	Y	95.9	Very high	90.7	Very high	18 Å²	18	52.8 Å²	52.8	7%	0.071	33%	0.329	C	S	.	.			trans	-76.6	125.8	171.6	174.9	-91.1	0	0	0	110.3	I231 G249 G250 D255 I256 W259	I231-Y247 HydrophobicContact CB-CD1 4.21Å; I231-Y247 HydrophobicContact CB-CG 4.13Å; I231-Y247 HydrophobicContact CD1-CD1 3.84Å; I231-Y247 HydrophobicContact CD1-CE1 4.27Å; I231-Y247 HydrophobicContact CD1-CG 4.42Å; I231-Y247 HydrophobicContact CG2-CD1 4.43Å; I231-Y247 HydrophobicContact CG2-CG 3.94Å; I231-Y247 WeakPolarHBondContact O-CB 3.43Å; I231-Y247 PolarHBondContact O-N 2.92Å; Y247-G249 VanDerWaalsContact CE1-O 3.29Å; Y247-G249 WeakPolarHBondContact CE1-O 3.41Å; Y247-G249 VanDerWaalsContact CZ-CA 3.41Å; Y247-G249 VanDerWaalsContact OH-C 3.29Å; Y247-G249 WeakPolarHBondContact OH-CA 3.15Å; Y247-G250 WeakPolarHBondContact CE1-O 3.16Å; Y247-G250 PolarHBondContact OH-N 3.32Å; Y247-G250 PolarHBondContact OH-O 2.9Å; Y247-D255 PolarHBondContact OH-O 3.09Å; Y247-I256 PolarHBondContact OH-N 3.17Å; Y247-W259 HydrophobicContact CD2-CB 4.5Å; Y247-W259 AromaticContact CD2-CD2 3.47Å; Y247-W259 HydrophobicContact CD2-CD2 3.47Å; Y247-W259 VanDerWaalsContact CD2-CD2 3.47Å; Y247-W259 AromaticContact CD2-CE2 3.84Å; Y247-W259 AromaticContact CD2-CE3 3.52Å; Y247-W259 HydrophobicContact CD2-CE3 3.52Å; Y247-W259 AromaticContact CD2-CG 3.92Å; Y247-W259 HydrophobicContact CD2-CG 3.92Å; Y247-W259 HydrophobicContact CD2-CH2 4.27Å; Y247-W259 HydrophobicContact CD2-CZ2 4.23Å; Y247-W259 AromaticContact CD2-CZ3 3.94Å; Y247-W259 HydrophobicContact CD2-CZ3 3.94Å; Y247-W259 HydrophobicContact CE2-CB 3.7Å; Y247-W259 AromaticContact CE2-CD2 3.6Å; Y247-W259 HydrophobicContact CE2-CD2 3.6Å; Y247-W259 AromaticContact CE2-CE3 3.87Å; Y247-W259 HydrophobicContact CE2-CE3 3.87Å; Y247-W259 AromaticContact CE2-CG 3.52Å; Y247-W259 HydrophobicContact CE2-CG 3.52Å
248	T	90.7	Very high	91.2	Very high	118 Å²	118	56.8 Å²	56.8	72%	0.724	34%	0.341	S	S	*	.			trans	-119.9	10.1	-176.1	54.7	0	0	0	0	113.4
249	G	90.8	Very high	92	Very high	35 Å²	35	53.1 Å²	53.1	36%	0.361	30%	0.304	S	S	.	.	S	Bend	trans	-82.4	-172.3	180	0	0	0	0	0	114.5	Y247	Y247-G249 VanDerWaalsContact CE1-O 3.29Å; Y247-G249 WeakPolarHBondContact CE1-O 3.41Å; Y247-G249 VanDerWaalsContact CZ-CA 3.41Å; Y247-G249 VanDerWaalsContact OH-C 3.29Å; Y247-G249 WeakPolarHBondContact OH-CA 3.15Å
250	G	91.9	Very high	92.6	Very high	30 Å²	30	52.2 Å²	52.2	31%	0.309	30%	0.3	S	S	.	.			trans	-72.3	169.2	177.7	0	0	0	0	0	114	Y247 D255	Y247-G250 WeakPolarHBondContact CE1-O 3.16Å; Y247-G250 PolarHBondContact OH-N 3.32Å; Y247-G250 PolarHBondContact OH-O 2.9Å; G250-D255 WeakPolarHBondContact CA-OD2 3.44Å
251	R	92	Very high	92.8	Very high	116 Å²	116	53.4 Å²	53.4	44%	0.438	30%	0.3	S	S	.	.	S	Bend	trans	-98.6	7	-177	-69.3	-176.9	176.2	172.9	-3.4	114	L191 H194	L191-R251 HydrophobicContact CD1-CB 4.17Å; H194-R251 WeakPolarHBondContact CB-O 3.19Å; H194-R251 PolarHBondContact CD2-O 2.87Å
252	S	93.2	Very high	92.9	Very high	31 Å²	31	57.7 Å²	57.7	22%	0.217	32%	0.32	C	S	.	.	S	Bend	trans	-83	157.7	173.9	79.6	0	0	0	0	110.7	S254 D255 I256	S252-S254 PolarHBondContact O-N 3.38Å; S252-S254 PolarHBondContact OG-OG 2.75Å; S252-D255 WeakPolarHBondContact CB-OD2 3.44Å; S252-D255 PolarHBondContact N-OD2 2.86Å; S252-D255 PolarHBondContact O-N 3.2Å; S252-D255 PolarHBondContact OG-N 2.75Å; S252-D255 PolarHBondContact OG-OD1 3.22Å; S252-D255 PolarHBondContact OG-OD2 3.42Å; S252-I256 WeakPolarHBondContact O-CD1 3.17Å; S252-I256 WeakPolarHBondContact O-CG1 3.28Å; S252-I256 PolarHBondContact O-N 2.93Å; S252-I256 VanDerWaalsContact O-N 3.14Å
253	A	93.6	Very high	92.9	Very high	10 Å²	10	53.7 Å²	53.7	8%	0.083	30%	0.297	C	S	.	.	H	α-helix	trans	-60.2	-36.7	177.6	0	0	0	0	0	111.9	H194 V257	H194-A253 HydrophobicContact CB-CB 4.26Å; H194-A253 PolarHBondContact ND1-N 2.82Å; A253-V257 WeakPolarHBondContact O-CB 3.48Å; A253-V257 WeakPolarHBondContact O-CG2 3.42Å; A253-V257 PolarHBondContact O-N 3.31Å
254	S	92.6	Very high	92.8	Very high	76 Å²	76	51.3 Å²	51.3	53%	0.531	28%	0.284	S	S	.	.	H	α-helix	trans	-66.2	-42.2	177.7	41.8	0	0	0	0	112.3	S252 I256 V257 Q258	S252-S254 PolarHBondContact O-N 3.38Å; S252-S254 PolarHBondContact OG-OG 2.75Å; S254-I256 VanDerWaalsContact C-N 3.32Å; S254-I256 PolarHBondContact O-N 2.94Å; S254-V257 PolarHBondContact O-N 3.4Å; S254-Q258 VanDerWaalsContact O-CB 3.27Å; S254-Q258 WeakPolarHBondContact O-CB 3.23Å; S254-Q258 PolarHBondContact O-N 3.26Å
255	D	94.4	Very high	92.3	Very high	62 Å²	62	50.7 Å²	50.7	33%	0.332	28%	0.279	S	S	.	.	H	α-helix	trans	-65.4	-39.6	179.5	-55.9	-38.1	0	0	0	111.1	Y247 G250 S252 W259	Y247-D255 PolarHBondContact OH-O 3.09Å; G250-D255 WeakPolarHBondContact CA-OD2 3.44Å; S252-D255 WeakPolarHBondContact CB-OD2 3.44Å; S252-D255 PolarHBondContact N-OD2 2.86Å; S252-D255 PolarHBondContact O-N 3.2Å; S252-D255 PolarHBondContact OG-N 2.75Å; S252-D255 PolarHBondContact OG-OD1 3.22Å; S252-D255 PolarHBondContact OG-OD2 3.42Å; D255-W259 WeakPolarHBondContact O-CB 3.47Å; D255-W259 PolarHBondContact O-N 3.32Å; D255-W259 VanDerWaalsContact O-N 3.07Å
256	I	97	Very high	91.8	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-66.9	-48.5	178	-63.8	158.8	0	0	0	110.3	L177 L191 W195 A198 Y247 S252 S254 A260	L177-I256 HydrophobicContact CD1-CG2 3.96Å; L191-I256 HydrophobicContact CD1-CD1 3.86Å; W195-I256 HydrophobicContact CE3-CD1 3.86Å; W195-I256 HydrophobicContact CE3-CG2 4.44Å; W195-I256 HydrophobicContact CZ3-CD1 4.12Å; W195-I256 HydrophobicContact CZ3-CG1 4.46Å; W195-I256 HydrophobicContact CZ3-CG2 3.99Å; A198-I256 HydrophobicContact CB-CB 4.07Å; A198-I256 HydrophobicContact CB-CG2 3.7Å; Y247-I256 PolarHBondContact OH-N 3.17Å; S252-I256 WeakPolarHBondContact O-CD1 3.17Å; S252-I256 WeakPolarHBondContact O-CG1 3.28Å; S252-I256 PolarHBondContact O-N 2.93Å; S252-I256 VanDerWaalsContact O-N 3.14Å; S254-I256 VanDerWaalsContact C-N 3.32Å; S254-I256 PolarHBondContact O-N 2.94Å; I256-A260 VanDerWaalsContact O-CB 3.25Å; I256-A260 WeakPolarHBondContact O-CB 3.35Å; I256-A260 PolarHBondContact O-N 2.96Å
257	V	95.5	Very high	91.1	Very high	11 Å²	11	49.2 Å²	49.2	7%	0.067	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-48.8	179.7	170.9	0	0	0	0	110.7	A198 Q201 L202 A253 S254 W259 A260 E261	A198-V257 HydrophobicContact CB-CG2 4Å; Q201-V257 HydrophobicContact CB-CG2 3.84Å; L202-V257 HydrophobicContact CD1-CG2 4.45Å; L202-V257 HydrophobicContact CD2-CG1 4.12Å; L202-V257 HydrophobicContact CG-CG2 4.13Å; A253-V257 WeakPolarHBondContact O-CB 3.48Å; A253-V257 WeakPolarHBondContact O-CG2 3.42Å; A253-V257 PolarHBondContact O-N 3.31Å; S254-V257 PolarHBondContact O-N 3.4Å; V257-W259 PolarHBondContact O-N 3.21Å; V257-A260 PolarHBondContact O-N 3.44Å; V257-E261 HydrophobicContact CG1-CG 4.37Å; V257-E261 WeakPolarHBondContact O-CB 3.4Å; V257-E261 WeakPolarHBondContact O-CG 3.49Å; V257-E261 PolarHBondContact O-N 2.93Å
258	Q	92.7	Very high	90.3	Very high	107 Å²	107	49.5 Å²	49.5	50%	0.5	28%	0.276	S	S	.	.	H	α-helix	trans	-60.1	-50.3	-179.4	179.6	179.2	2.7	0	0	111.3	S254 A260 E261 E262	S254-Q258 VanDerWaalsContact O-CB 3.27Å; S254-Q258 WeakPolarHBondContact O-CB 3.23Å; S254-Q258 PolarHBondContact O-N 3.26Å; Q258-A260 VanDerWaalsContact C-N 3.29Å; Q258-A260 PolarHBondContact O-N 3.24Å; Q258-E261 PolarHBondContact O-N 3.45Å; Q258-E262 HydrophobicContact CG-CG 4.46Å; Q258-E262 WeakPolarHBondContact CG-OE1 3.33Å; Q258-E262 PolarHBondContact NE2-OE1 3.26Å; Q258-E262 WeakPolarHBondContact O-CB 3.36Å; Q258-E262 WeakPolarHBondContact O-CG 3.44Å; Q258-E262 PolarHBondContact O-N 3.49Å
259	W	94.8	Very high	89.8	Confident	30 Å²	30	49 Å²	49	11%	0.114	28%	0.275	C	S	.	.	H	α-helix	trans	-60.9	-40.4	179.6	-173	99.8	0	0	0	111.7	L177 M233 Y247 D255 V257 E262 K263	L177-W259 HydrophobicContact CD2-CE3 4.38Å; L177-W259 HydrophobicContact CD2-CZ3 3.85Å; M233-W259 HydrophobicContact CB-CH2 3.64Å; M233-W259 HydrophobicContact CB-CZ3 3.71Å; M233-W259 HydrophobicContact CG-CH2 4.02Å; M233-W259 HydrophobicContact CG-CZ3 3.78Å; M233-W259 HydrophobicContact SD-CH2 3.75Å; M233-W259 HydrophobicContact SD-CZ3 3.79Å; Y247-W259 HydrophobicContact CD2-CB 4.5Å; Y247-W259 AromaticContact CD2-CD2 3.47Å; Y247-W259 HydrophobicContact CD2-CD2 3.47Å; Y247-W259 VanDerWaalsContact CD2-CD2 3.47Å; Y247-W259 AromaticContact CD2-CE2 3.84Å; Y247-W259 AromaticContact CD2-CE3 3.52Å; Y247-W259 HydrophobicContact CD2-CE3 3.52Å; Y247-W259 AromaticContact CD2-CG 3.92Å; Y247-W259 HydrophobicContact CD2-CG 3.92Å; Y247-W259 HydrophobicContact CD2-CH2 4.27Å; Y247-W259 HydrophobicContact CD2-CZ2 4.23Å; Y247-W259 AromaticContact CD2-CZ3 3.94Å; Y247-W259 HydrophobicContact CD2-CZ3 3.94Å; Y247-W259 HydrophobicContact CE2-CB 3.7Å; Y247-W259 AromaticContact CE2-CD2 3.6Å; Y247-W259 HydrophobicContact CE2-CD2 3.6Å; Y247-W259 AromaticContact CE2-CE3 3.87Å; Y247-W259 HydrophobicContact CE2-CE3 3.87Å; Y247-W259 AromaticContact CE2-CG 3.52Å; Y247-W259 HydrophobicContact CE2-CG 3.52Å; D255-W259 WeakPolarHBondContact O-CB 3.47Å; D255-W259 PolarHBondContact O-N 3.32Å; D255-W259 VanDerWaalsContact O-N 3.07Å; V257-W259 PolarHBondContact O-N 3.21Å; W259-E262 PolarHBondContact O-N 3.33Å; W259-K263 HydrophobicContact CD2-CG 3.96Å; W259-K263 HydrophobicContact CE3-CB 4.4Å; W259-K263 HydrophobicContact CE3-CG 3.75Å; W259-K263 HydrophobicContact CH2-CD 4.17Å; W259-K263 HydrophobicContact CH2-CG 3.69Å; W259-K263 HydrophobicContact CZ2-CD 4.2Å; W259-K263 HydrophobicContact CZ2-CG 3.9Å; W259-K263 HydrophobicContact CZ3-CB 4.22Å; W259-K263 HydrophobicContact CZ3-CG 3.6Å; W259-K263 WeakPolarHBondContact O-CB 3.49Å; W259-K263 WeakPolarHBondContact O-CG 3.43Å; W259-K263 PolarHBondContact O-N 2.8Å
260	A	94.6	Very high	89.5	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-63.9	-43.5	176.4	0	0	0	0	0	111.8	M175 L177 L202 V206 I256 V257 Q258 K263 L264	M175-A260 HydrophobicContact CE-CB 4.15Å; M175-A260 WeakPolarHBondContact CE-O 3.46Å; L177-A260 HydrophobicContact CD1-CB 3.8Å; L202-A260 HydrophobicContact CD1-CB 3.68Å; L202-A260 HydrophobicContact CD2-CB 3.97Å; V206-A260 HydrophobicContact CG2-CB 4.3Å; I256-A260 VanDerWaalsContact O-CB 3.25Å; I256-A260 WeakPolarHBondContact O-CB 3.35Å; I256-A260 PolarHBondContact O-N 2.96Å; V257-A260 PolarHBondContact O-N 3.44Å; Q258-A260 VanDerWaalsContact C-N 3.29Å; Q258-A260 PolarHBondContact O-N 3.24Å; A260-K263 PolarHBondContact O-N 3.41Å; A260-L264 VanDerWaalsContact O-CB 3.28Å; A260-L264 WeakPolarHBondContact O-CB 3.31Å; A260-L264 PolarHBondContact O-N 2.95Å
261	E	90.6	Very high	89.5	Confident	71 Å²	71	51 Å²	51	33%	0.332	28%	0.276	S	S	.	.	H	α-helix	trans	-66	-39.7	178	-73.2	178.1	170.2	0	0	112	L202 R205 V257 Q258 L264 A265	L202-E261 HydrophobicContact CD2-CG 4.2Å; R205-E261 IonicContact CZ-OE1 2.64Å; R205-E261 IonicContact NH1-OE1 2.62Å; R205-E261 PolarHBondContact NH1-OE1 3.01Å; R205-E261 IonicContact NH2-OE1 2.87Å; R205-E261 PolarHBondContact NH2-OE1 3.34Å; V257-E261 HydrophobicContact CG1-CG 4.37Å; V257-E261 WeakPolarHBondContact O-CB 3.4Å; V257-E261 WeakPolarHBondContact O-CG 3.49Å; V257-E261 PolarHBondContact O-N 2.93Å; Q258-E261 PolarHBondContact O-N 3.45Å; E261-L264 PolarHBondContact O-N 3.46Å; E261-A265 WeakPolarHBondContact O-CB 3.49Å; E261-A265 PolarHBondContact O-N 2.99Å
262	E	89	Confident	89.5	Confident	94 Å²	94	52.9 Å²	52.9	44%	0.439	29%	0.289	S	S	.	.	H	α-helix	trans	-61.6	-46.2	173.8	-74.2	173.4	-172.5	0	0	111.2	Q258 W259 A265 E266	Q258-E262 HydrophobicContact CG-CG 4.46Å; Q258-E262 WeakPolarHBondContact CG-OE1 3.33Å; Q258-E262 PolarHBondContact NE2-OE1 3.26Å; Q258-E262 WeakPolarHBondContact O-CB 3.36Å; Q258-E262 WeakPolarHBondContact O-CG 3.44Å; Q258-E262 PolarHBondContact O-N 3.49Å; W259-E262 PolarHBondContact O-N 3.33Å; E262-A265 PolarHBondContact O-N 2.88Å; E262-E266 WeakPolarHBondContact O-CG 3.46Å; E262-E266 PolarHBondContact O-N 3.49Å
263	K	90.8	Very high	89.6	Confident	53 Å²	53	52.6 Å²	52.6	23%	0.23	29%	0.285	C	S	.	.	H	α-helix	trans	-67.6	-36.8	176.9	-72.6	-72.5	168.5	-157.3	0	113	M175 M233 W259 A260 A265 E266 N267	M175-K263 HydrophobicContact CE-CB 4.33Å; M175-K263 HydrophobicContact SD-CB 4.01Å; M233-K263 HydrophobicContact SD-CB 3.72Å; M233-K263 HydrophobicContact SD-CD 4.04Å; M233-K263 HydrophobicContact SD-CG 3.88Å; W259-K263 HydrophobicContact CD2-CG 3.96Å; W259-K263 HydrophobicContact CE3-CB 4.4Å; W259-K263 HydrophobicContact CE3-CG 3.75Å; W259-K263 HydrophobicContact CH2-CD 4.17Å; W259-K263 HydrophobicContact CH2-CG 3.69Å; W259-K263 HydrophobicContact CZ2-CD 4.2Å; W259-K263 HydrophobicContact CZ2-CG 3.9Å; W259-K263 HydrophobicContact CZ3-CB 4.22Å; W259-K263 HydrophobicContact CZ3-CG 3.6Å; W259-K263 WeakPolarHBondContact O-CB 3.49Å; W259-K263 WeakPolarHBondContact O-CG 3.43Å; W259-K263 PolarHBondContact O-N 2.8Å; A260-K263 PolarHBondContact O-N 3.41Å; K263-A265 VanDerWaalsContact C-N 3.27Å; K263-A265 PolarHBondContact O-N 2.93Å; K263-E266 WeakPolarHBondContact CD-OE2 3.24Å; K263-E266 WeakPolarHBondContact CE-OE2 3.35Å; K263-E266 IonicContact NZ-OE2 3.05Å; K263-E266 PolarHBondContact NZ-OE2 3.36Å; K263-E266 PolarHBondContact O-N 2.96Å; K263-N267 WeakPolarHBondContact O-CB 3.23Å; K263-N267 PolarHBondContact O-N 3.19Å; K263-N267 PolarHBondContact O-ND2 3.4Å
264	L	88.4	Confident	89.7	Confident	24 Å²	24	55.3 Å²	55.3	13%	0.126	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-38	173.5	-170.9	68.9	0	0	0	110.9	M175 R205 V206 A260 E261 A268	M175-L264 HydrophobicContact CB-CD1 4.09Å; M175-L264 HydrophobicContact CE-CB 4.05Å; M175-L264 HydrophobicContact CE-CD1 4.48Å; M175-L264 HydrophobicContact SD-CB 4.38Å; M175-L264 HydrophobicContact SD-CD1 4.43Å; R205-L264 HydrophobicContact CB-CD2 4.03Å; V206-L264 HydrophobicContact CG2-CD2 4.28Å; A260-L264 VanDerWaalsContact O-CB 3.28Å; A260-L264 WeakPolarHBondContact O-CB 3.31Å; A260-L264 PolarHBondContact O-N 2.95Å; E261-L264 PolarHBondContact O-N 3.46Å; L264-A268 WeakPolarHBondContact O-CB 3.21Å; L264-A268 PolarHBondContact O-N 3.36Å
265	A	81.8	Confident	90	Very high	14 Å²	14	52.9 Å²	52.9	12%	0.116	28%	0.276	C	S	.	.	H	α-helix	trans	-70.9	-33.7	174.9	0	0	0	0	0	112.8	E261 E262 K263 K323	E261-A265 WeakPolarHBondContact O-CB 3.49Å; E261-A265 PolarHBondContact O-N 2.99Å; E262-A265 PolarHBondContact O-N 2.88Å; K263-A265 VanDerWaalsContact C-N 3.27Å; K263-A265 PolarHBondContact O-N 2.93Å; A265-K323 HydrophobicContact CB-CB 4.37Å; A265-K323 HydrophobicContact CB-CG 4.13Å
266	E	82.2	Confident	90.1	Very high	70 Å²	70	50 Å²	50	33%	0.327	26%	0.261	S	S	.	.	H	α-helix	trans	-68.2	-39.6	174.4	-76.8	177.1	177.9	0	0	113.2	E262 K263 K322 K323	E262-E266 WeakPolarHBondContact O-CG 3.46Å; E262-E266 PolarHBondContact O-N 3.49Å; K263-E266 WeakPolarHBondContact CD-OE2 3.24Å; K263-E266 WeakPolarHBondContact CE-OE2 3.35Å; K263-E266 IonicContact NZ-OE2 3.05Å; K263-E266 PolarHBondContact NZ-OE2 3.36Å; K263-E266 PolarHBondContact O-N 2.96Å; E266-K322 WeakPolarHBondContact O-CE 3Å; E266-K322 PolarHBondContact O-NZ 3.3Å; E266-K323 IonicContact OE1-NZ 3.84Å; E266-K323 PolarHBondContact OE1-NZ 2.83Å
267	N	79.7	Confident	90.1	Very high	63 Å²	63	50.9 Å²	50.9	34%	0.337	27%	0.265	S	S	.	.	S	Bend	trans	-94.5	4.1	-178.6	-64.1	-73.1	0	0	0	113.1	K263	K263-N267 WeakPolarHBondContact O-CB 3.23Å; K263-N267 PolarHBondContact O-N 3.19Å; K263-N267 PolarHBondContact O-ND2 3.4Å
268	A	79.6	Confident	90.1	Very high	25 Å²	25	52.4 Å²	52.4	21%	0.207	27%	0.273	C	S	.	.	S	Bend	trans	-59.3	141.6	172.9	0	0	0	0	0	109.5	L264 K322	L264-A268 WeakPolarHBondContact O-CB 3.21Å; L264-A268 PolarHBondContact O-N 3.36Å; A268-K322 WeakPolarHBondContact O-CD 3.27Å; A268-K322 WeakPolarHBondContact O-CE 3.36Å; A268-K322 PolarHBondContact O-NZ 2.99Å; A268-K322 VanDerWaalsContact O-NZ 3.12Å
269	P	80.3	Confident	90.3	Very high	108 Å²	108	50.4 Å²	50.4	70%	0.701	26%	0.264	S	S	*	.	P	Polyproline II helix	trans	-60.5	149.2	171	26.8	-33.5	0	0	0	109.6
270	P	85.2	Confident	90.3	Very high	72 Å²	72	55.2 Å²	55.2	47%	0.468	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-52	144.6	169.1	2.3	-9.8	0	0	0	110.8	E319	P270-E319 WeakPolarHBondContact CA-OE2 2.98Å; P270-E319 HydrophobicContact CB-CB 4.32Å; P270-E319 WeakPolarHBondContact CB-OE2 3.37Å; P270-E319 VanDerWaalsContact CD-OE2 3.26Å; P270-E319 WeakPolarHBondContact CD-OE2 3.49Å; P270-E319 WeakPolarHBondContact CG-OE2 3.4Å
271	P	90.6	Very high	90.4	Very high	35 Å²	35	58 Å²	58	23%	0.227	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-64.1	145	173.8	29	-34	0	0	0	110.2	G318 W328	P271-G318 VanDerWaalsContact CD-O 3.31Å; P271-G318 WeakPolarHBondContact CD-O 3.35Å; P271-W328 HydrophobicContact CB-CG 4.42Å; P271-W328 VanDerWaalsContact CG-CD1 3.48Å; P271-W328 HydrophobicContact CG-CG 4.28Å
272	E	92	Very high	90.6	Very high	155 Å²	155	54.8 Å²	54.8	72%	0.724	28%	0.281	S	S	*	.	P	Polyproline II helix	trans	-70.7	135.7	170.7	-65.2	-173.1	176	0	0	110	E274	E272-E274 HydrophobicContact CB-CG 4.33Å
273	I	96	Very high	90.8	Very high	25 Å²	25	53.7 Å²	53.7	13%	0.128	28%	0.281	C	S	.	.			trans	-97.6	94.2	176.9	-51.4	-57.7	0	0	0	107.4	I311 L314 R315 W328	I273-I311 HydrophobicContact CG2-CG2 4.41Å; I273-L314 HydrophobicContact CD1-CB 4.44Å; I273-L314 HydrophobicContact CG1-CB 4.45Å; I273-L314 HydrophobicContact CG2-CB 3.98Å; I273-L314 HydrophobicContact CG2-CD1 4.11Å; I273-R315 HydrophobicContact CB-CG 4.48Å; I273-R315 HydrophobicContact CG1-CB 4.43Å; I273-R315 HydrophobicContact CG1-CG 3.73Å; I273-W328 HydrophobicContact CD1-CB 3.45Å; I273-W328 VanDerWaalsContact CD1-CB 3.45Å; I273-W328 HydrophobicContact CD1-CD2 3.85Å; I273-W328 HydrophobicContact CD1-CE3 3.93Å; I273-W328 HydrophobicContact CD1-CG 3.65Å
274	E	96.1	Very high	91	Very high	66 Å²	66	53.9 Å²	53.9	31%	0.308	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	148	-173.3	-62.3	-170.2	102.5	0	0	112.7	E272 R281 W328 L329 W330	E272-E274 HydrophobicContact CB-CG 4.33Å; E274-R281 IonicContact OE1-CZ 2.61Å; E274-R281 IonicContact OE1-NE 2.71Å; E274-R281 IonicContact OE1-NH2 3.42Å; E274-W328 PolarHBondContact N-O 2.87Å; E274-L329 HydrophobicContact CB-CD2 3.99Å; E274-L329 CarbonylContact O-C 3.55Å; E274-L329 VanDerWaalsContact O-CA 3.26Å; E274-L329 WeakPolarHBondContact O-CA 3.29Å; E274-W330 VanDerWaalsContact C-CD1 3.49Å; E274-W330 PolarHBondContact O-N 2.7Å
275	E	97.7	Very high	91.2	Very high	26 Å²	26	53 Å²	53	12%	0.121	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	137.7	170.3	-173	176.8	-169.3	0	0	110.5	I277 R281 W330 P405 W406	E275-I277 HydrophobicContact CB-CG2 3.96Å; E275-I277 HydrophobicContact CG-CG2 3.69Å; E275-I277 PolarHBondContact O-N 3.12Å; E275-R281 WeakPolarHBondContact O-CD 3.49Å; E275-R281 PolarHBondContact O-NH1 2.9Å; E275-W330 CarbonylContact C-O 3.58Å; E275-W330 WeakPolarHBondContact CA-O 3.48Å; E275-W330 HydrophobicContact CB-CD2 4.38Å; E275-W330 HydrophobicContact CB-CH2 4.27Å; E275-W330 HydrophobicContact CB-CZ2 3.58Å; E275-W330 HydrophobicContact CG-CD2 4.34Å; E275-W330 HydrophobicContact CG-CE3 4.47Å; E275-W330 HydrophobicContact CG-CH2 3.74Å; E275-W330 HydrophobicContact CG-CZ2 3.58Å; E275-W330 HydrophobicContact CG-CZ3 4.19Å; E275-P405 WeakPolarHBondContact OE2-CA 3.46Å; E275-W406 PolarHBondContact OE2-N 3.47Å
276	L	97.6	Very high	91.6	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	28%	0.279	C	S	.	.			trans	-81.2	87.7	175.9	-180	55.3	0	0	0	110.9	N278 R281 L282 L329 W330 V331 L339 I400	L276-N278 WeakPolarHBondContact CD1-O 3.4Å; L276-R281 HydrophobicContact CD1-CB 3.95Å; L276-L282 HydrophobicContact CD1-CB 3.92Å; L276-L329 HydrophobicContact CD1-CD1 4.16Å; L276-W330 PolarHBondContact N-O 3.39Å; L276-V331 HydrophobicContact CB-CB 4.21Å; L276-V331 HydrophobicContact CB-CG2 4.42Å; L276-L339 HydrophobicContact CD2-CD2 3.36Å; L276-I400 HydrophobicContact CD1-CG1 4.4Å; L276-I400 HydrophobicContact CD1-CG2 4.02Å; L276-I400 HydrophobicContact CD2-CD1 3.91Å; L276-I400 HydrophobicContact CD2-CG1 4.37Å; L276-I400 HydrophobicContact CD2-CG2 4.49Å; L276-I400 HydrophobicContact CG-CG2 4.02Å
277	I	96.3	Very high	92	Very high	18 Å²	18	55.2 Å²	55.2	9%	0.092	29%	0.294	C	S	.	.			trans	-97	-15.2	-176.1	64.9	173.8	0	0	0	114.6	E275 T402 V403 P405	E275-I277 HydrophobicContact CB-CG2 3.96Å; E275-I277 HydrophobicContact CG-CG2 3.69Å; E275-I277 PolarHBondContact O-N 3.12Å; I277-T402 VanDerWaalsContact O-CA 3.27Å; I277-T402 WeakPolarHBondContact O-CA 3.24Å; I277-V403 HydrophobicContact CB-CG2 4.15Å; I277-V403 HydrophobicContact CG2-CG2 4.24Å; I277-V403 PolarHBondContact O-N 2.81Å; I277-P405 HydrophobicContact CD1-CG 3.97Å; I277-P405 HydrophobicContact CG2-CB 4.39Å; I277-P405 HydrophobicContact CG2-CG 4.39Å
278	N	96.7	Very high	92.5	Very high	44 Å²	44	55.8 Å²	55.8	24%	0.235	30%	0.295	C	S	.	.	S	Bend	trans	-161.7	170.7	-177.5	61.5	47.3	0	0	0	112.4	L276 K280 R281 I400 T402	L276-N278 WeakPolarHBondContact CD1-O 3.4Å; N278-K280 VanDerWaalsContact C-N 3.27Å; N278-K280 PolarHBondContact O-N 3.38Å; N278-K280 WeakPolarHBondContact OD1-CB 3.37Å; N278-K280 PolarHBondContact OD1-N 2.57Å; N278-K280 VanDerWaalsContact OD1-N 3.09Å; N278-R281 PolarHBondContact O-N 3.21Å; N278-R281 PolarHBondContact OD1-N 3.47Å; N278-I400 VanDerWaalsContact C-CG2 3.45Å; N278-T402 HydrophobicContact CB-CG2 4.41Å
279	Q	96.5	Very high	93.1	Very high	65 Å²	65	60.7 Å²	60.7	30%	0.304	31%	0.314	S	S	.	.	H	α-helix	trans	-59.2	-35.7	-179.7	-168.6	66.7	53	0	0	113.3	R281 L282 T283 P398 I400	Q279-R281 PolarHBondContact O-N 3.35Å; Q279-L282 PolarHBondContact O-N 3.17Å; Q279-T283 PolarHBondContact O-N 3.3Å; Q279-T283 PolarHBondContact O-OG1 3.37Å; Q279-P398 PolarHBondContact NE2-O 2.88Å; Q279-P398 PolarHBondContact OE1-O 2.83Å; Q279-I400 HydrophobicContact CB-CB 4.47Å
280	K	95.5	Very high	93.8	Very high	131 Å²	131	56.8 Å²	56.8	57%	0.57	29%	0.286	S	S	*	.	H	α-helix	trans	-61.8	-43.7	-176.8	-173.6	-175.3	-179.9	-63.5	0	111.1	N278 L282 T283 D284	N278-K280 VanDerWaalsContact C-N 3.27Å; N278-K280 PolarHBondContact O-N 3.38Å; N278-K280 WeakPolarHBondContact OD1-CB 3.37Å; N278-K280 PolarHBondContact OD1-N 2.57Å; N278-K280 VanDerWaalsContact OD1-N 3.09Å; K280-L282 VanDerWaalsContact C-N 3.32Å; K280-L282 PolarHBondContact O-N 3.46Å; K280-T283 WeakPolarHBondContact O-CB 3.45Å; K280-T283 PolarHBondContact O-N 3.04Å; K280-T283 VanDerWaalsContact O-N 3.1Å; K280-D284 IonicContact NZ-OD1 2.75Å; K280-D284 PolarHBondContact NZ-OD1 2.84Å; K280-D284 IonicContact NZ-OD2 3.7Å; K280-D284 PolarHBondContact NZ-OD2 3.22Å; K280-D284 PolarHBondContact O-N 3.47Å
281	R	95.4	Very high	94.4	Very high	59 Å²	59	53.4 Å²	53.4	22%	0.223	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-40.1	177.3	-74.4	-165.4	172.8	163.8	2.4	112.8	E274 E275 L276 N278 Q279 C285 L329	E274-R281 IonicContact OE1-CZ 2.61Å; E274-R281 IonicContact OE1-NE 2.71Å; E274-R281 IonicContact OE1-NH2 3.42Å; E275-R281 WeakPolarHBondContact O-CD 3.49Å; E275-R281 PolarHBondContact O-NH1 2.9Å; L276-R281 HydrophobicContact CD1-CB 3.95Å; N278-R281 PolarHBondContact O-N 3.21Å; N278-R281 PolarHBondContact OD1-N 3.47Å; Q279-R281 PolarHBondContact O-N 3.35Å; R281-C285 WeakPolarHBondContact O-CB 3.03Å; R281-C285 PolarHBondContact O-N 3.09Å; R281-L329 HydrophobicContact CB-CD2 4.36Å
282	L	95.3	Very high	94.7	Very high	3 Å²	3	51.7 Å²	51.7	2%	0.016	25%	0.254	C	S	.	.	H	α-helix	trans	-65.2	-41.7	174.3	-178.8	63.3	0	0	0	111.8	L276 Q279 K280 C285 G286 I293 L329 P398 I400	L276-L282 HydrophobicContact CD1-CB 3.92Å; Q279-L282 PolarHBondContact O-N 3.17Å; K280-L282 VanDerWaalsContact C-N 3.32Å; K280-L282 PolarHBondContact O-N 3.46Å; L282-C285 PolarHBondContact O-N 3.29Å; L282-G286 PolarHBondContact O-N 2.61Å; L282-I293 HydrophobicContact CD1-CD1 3.96Å; L282-L329 HydrophobicContact CD1-CD1 4.4Å; L282-P398 HydrophobicContact CD2-CG 4.19Å; L282-I400 HydrophobicContact CB-CG1 4.1Å; L282-I400 HydrophobicContact CD2-CD1 3.89Å; L282-I400 HydrophobicContact CD2-CG1 3.7Å
283	T	93.9	Very high	95	Very high	71 Å²	71	44.4 Å²	44.4	44%	0.436	22%	0.219	S	C	.	.	H	α-helix	trans	-63.5	-48.4	177.8	-61.6	0	0	0	0	111.7	Q279 K280 C285 G286	Q279-T283 PolarHBondContact O-N 3.3Å; Q279-T283 PolarHBondContact O-OG1 3.37Å; K280-T283 WeakPolarHBondContact O-CB 3.45Å; K280-T283 PolarHBondContact O-N 3.04Å; K280-T283 VanDerWaalsContact O-N 3.1Å; T283-C285 VanDerWaalsContact C-N 3.3Å; T283-C285 PolarHBondContact O-N 2.81Å; T283-G286 WeakPolarHBondContact O-CA 3.37Å; T283-G286 PolarHBondContact O-N 3.41Å
284	D	93.5	Very high	95.1	Very high	56 Å²	56	43.2 Å²	43.2	30%	0.299	21%	0.214	S	C	.	.	H	α-helix	trans	-61.9	-38.3	178.6	-63.6	-14	0	0	0	111.2	K280 G286 D287	K280-D284 IonicContact NZ-OD1 2.75Å; K280-D284 PolarHBondContact NZ-OD1 2.84Å; K280-D284 IonicContact NZ-OD2 3.7Å; K280-D284 PolarHBondContact NZ-OD2 3.22Å; K280-D284 PolarHBondContact O-N 3.47Å; D284-G286 PolarHBondContact O-N 2.98Å; D284-D287 WeakPolarHBondContact O-CB 3.04Å; D284-D287 PolarHBondContact O-N 2.81Å; D284-D287 VanDerWaalsContact O-N 3.09Å
285	C	93.8	Very high	95.1	Very high	7 Å²	7	40.1 Å²	40.1	5%	0.047	20%	0.199	C	C	.	.	H	α-helix	trans	-60.7	-27.3	173.8	-158.9	0	0	0	0	112.2	R281 L282 T283 D287 H288 C291 L329	R281-C285 WeakPolarHBondContact O-CB 3.03Å; R281-C285 PolarHBondContact O-N 3.09Å; L282-C285 PolarHBondContact O-N 3.29Å; T283-C285 VanDerWaalsContact C-N 3.3Å; T283-C285 PolarHBondContact O-N 2.81Å; C285-D287 PolarHBondContact O-N 3.42Å; C285-H288 WeakPolarHBondContact O-CB 3.46Å; C285-H288 PolarHBondContact O-N 3.1Å; C285-H288 PolarHBondContact O-ND1 3.24Å; C285-C291 HydrophobicContact CB-CB 3.96Å; C285-C291 WeakPolarHBondContact CB-SG 2.97Å; C285-C291 VanDerWaalsContact SG-CA 3.55Å; C285-C291 WeakPolarHBondContact SG-CB 3.49Å; C285-C291 CovalentContact SG-SG 2.02Å; C285-C291 PolarHBondContact SG-SG 2.82Å; C285-L329 HydrophobicContact CB-CD1 3.73Å; C285-L329 HydrophobicContact CB-CG 4.19Å
286	G	89.2	Confident	95.1	Very high	8 Å²	8	38.9 Å²	38.9	8%	0.082	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.9	176.4	0	0	0	0	0	115.7	L282 T283 D284 H288 T358	L282-G286 PolarHBondContact O-N 2.61Å; T283-G286 WeakPolarHBondContact O-CA 3.37Å; T283-G286 PolarHBondContact O-N 3.41Å; D284-G286 PolarHBondContact O-N 2.98Å; G286-H288 PolarHBondContact O-N 3.03Å; G286-T358 WeakPolarHBondContact CA-OG1 3.21Å
287	D	90.4	Very high	95	Very high	121 Å²	121	39.5 Å²	39.5	65%	0.647	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-23	171.8	-71.4	-24.6	0	0	0	112	D284 C285 R359	D284-D287 WeakPolarHBondContact O-CB 3.04Å; D284-D287 PolarHBondContact O-N 2.81Å; D284-D287 VanDerWaalsContact O-N 3.09Å; C285-D287 PolarHBondContact O-N 3.42Å; D287-R359 PolarHBondContact O-NH2 3.38Å
288	H	91.8	Very high	95	Very high	76 Å²	76	41.8 Å²	41.8	35%	0.352	21%	0.208	S	C	.	.	S	Bend	trans	-79.8	160.9	175.2	-56.1	82.1	0	0	0	111.6	C285 G286 L290 R325	C285-H288 WeakPolarHBondContact O-CB 3.46Å; C285-H288 PolarHBondContact O-N 3.1Å; C285-H288 PolarHBondContact O-ND1 3.24Å; G286-H288 PolarHBondContact O-N 3.03Å; H288-L290 VanDerWaalsContact C-N 3.31Å; H288-L290 WeakPolarHBondContact CB-O 3.37Å; H288-L290 PolarHBondContact O-N 3.45Å; H288-R325 PolarHBondContact CD2-O 3.37Å; H288-R325 VanDerWaalsContact CD2-O 3.25Å
289	Q	91	Very high	94.9	Very high	128 Å²	128	40.6 Å²	40.6	60%	0.598	20%	0.201	S	C	*	.	S	Bend	trans	-64	-39.5	177	-173.4	-169.1	39.1	0	0	112	N357	Q289-N357 PolarHBondContact O-ND2 2.89Å
290	L	95.6	Very high	94.7	Very high	25 Å²	25	39.3 Å²	39.3	13%	0.131	20%	0.196	C	C	.	.			trans	-135.2	144.6	174.5	-64.1	177.3	0	0	0	108.8	H288 W326 G327 V356 N357 L382	H288-L290 VanDerWaalsContact C-N 3.31Å; H288-L290 WeakPolarHBondContact CB-O 3.37Å; H288-L290 PolarHBondContact O-N 3.45Å; L290-W326 HydrophobicContact CB-CD2 4.37Å; L290-W326 HydrophobicContact CB-CG 3.97Å; L290-W326 HydrophobicContact CD1-CD2 4.39Å; L290-W326 HydrophobicContact CD1-CZ2 3.9Å; L290-W326 WeakPolarHBondContact O-CA 3.42Å; L290-W326 WeakPolarHBondContact O-CB 3.21Å; L290-G327 PolarHBondContact O-N 3.34Å; L290-V356 CarbonylContact C-O 3.57Å; L290-V356 WeakPolarHBondContact CA-O 3.33Å; L290-N357 HydrophobicContact CD2-CB 3.92Å; L290-L382 HydrophobicContact CD1-CB 4.48Å
291	C	97	Very high	94.5	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	115.2	168.1	-173.5	0	0	0	0	108.1	C285 G327 V356	C285-C291 HydrophobicContact CB-CB 3.96Å; C285-C291 WeakPolarHBondContact CB-SG 2.97Å; C285-C291 VanDerWaalsContact SG-CA 3.55Å; C285-C291 WeakPolarHBondContact SG-CB 3.49Å; C285-C291 CovalentContact SG-SG 2.02Å; C285-C291 PolarHBondContact SG-SG 2.82Å; C291-G327 CarbonylContact C-O 3.6Å; C291-V356 HydrophobicContact CB-CB 4.46Å; C291-V356 PolarHBondContact N-O 3.38Å; C291-V356 PolarHBondContact O-N 2.78Å
292	I	97.9	Very high	94.2	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	114.3	175.6	-51	-53.7	0	0	0	107.5	W326 G327 W328 L329 M353 A355 L379	I292-W326 HydrophobicContact CD1-CD2 4.33Å; I292-W326 HydrophobicContact CD1-CE3 3.92Å; I292-W326 HydrophobicContact CD1-CZ3 4.5Å; I292-W326 HydrophobicContact CG1-CB 4.17Å; I292-W326 HydrophobicContact CG1-CE3 4.06Å; I292-G327 PolarHBondContact N-O 2.82Å; I292-W328 HydrophobicContact CB-CD2 4.06Å; I292-W328 HydrophobicContact CB-CE3 3.91Å; I292-W328 HydrophobicContact CB-CZ3 4.26Å; I292-W328 HydrophobicContact CG1-CD2 4.25Å; I292-W328 HydrophobicContact CG1-CE3 4.38Å; I292-W328 HydrophobicContact CG1-CH2 4.45Å; I292-W328 HydrophobicContact CG1-CZ2 4.25Å; I292-W328 HydrophobicContact CG1-CZ3 4.49Å; I292-W328 HydrophobicContact CG2-CE3 3.87Å; I292-W328 HydrophobicContact CG2-CH2 4.46Å; I292-W328 HydrophobicContact CG2-CZ3 3.85Å; I292-L329 PolarHBondContact O-N 3.34Å; I292-M353 HydrophobicContact CG2-CE 4.24Å; I292-M353 HydrophobicContact CG2-CG 4.11Å; I292-M353 HydrophobicContact CG2-SD 3.96Å; I292-A355 HydrophobicContact CD1-CB 3.59Å; I292-L379 HydrophobicContact CD1-CD2 3.8Å; I292-L379 HydrophobicContact CG1-CD2 4.26Å; I292-L379 HydrophobicContact CG2-CD2 4.43Å
293	I	97.7	Very high	94.1	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	121.9	-177.3	-56.1	-176.4	0	0	0	108.5	L282 L329 L339 L343 M353 A354 V356	L282-I293 HydrophobicContact CD1-CD1 3.96Å; I293-L329 CarbonylContact C-O 3.58Å; I293-L329 WeakPolarHBondContact CA-O 3.36Å; I293-L329 HydrophobicContact CG1-CB 4.38Å; I293-L339 HydrophobicContact CD1-CD1 4.29Å; I293-L339 HydrophobicContact CG2-CD2 4.24Å; I293-L343 HydrophobicContact CD1-CD1 4.27Å; I293-M353 CarbonylContact O-C 3.57Å; I293-M353 WeakPolarHBondContact O-CA 3.38Å; I293-A354 PolarHBondContact N-O 2.84Å; I293-A354 PolarHBondContact O-N 3.48Å; I293-V356 HydrophobicContact CD1-CG2 3.89Å; I293-V356 HydrophobicContact CG1-CG2 4.28Å
294	S	97.9	Very high	94.1	Very high	1 Å²	1	37 Å²	37	1%	0.007	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.2	177.2	-55.7	0	0	0	0	110.8	L314 L329 W330 V331 A352 M353	S294-L314 VanDerWaalsContact OG-CD2 3.27Å; S294-L314 WeakPolarHBondContact OG-CD2 3.34Å; S294-L329 PolarHBondContact N-O 2.89Å; S294-W330 CarbonylContact O-C 3.51Å; S294-W330 WeakPolarHBondContact O-CA 3.23Å; S294-V331 PolarHBondContact O-N 2.94Å; S294-A352 CarbonylContact C-O 3.54Å; S294-A352 WeakPolarHBondContact CA-O 3.4Å; S294-M353 WeakPolarHBondContact OG-CE 3.44Å
295	V	97.4	Very high	94.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	111.9	172.8	-171.5	0	0	0	0	107.3	V331 G333 E340 L345 Y350 P351 A352	V295-V331 CarbonylContact C-O 3.58Å; V295-V331 WeakPolarHBondContact CA-O 3.36Å; V295-V331 HydrophobicContact CB-CG1 4.18Å; V295-V331 HydrophobicContact CG1-CG1 4.16Å; V295-V331 HydrophobicContact CG2-CG1 3.77Å; V295-G333 VanDerWaalsContact CG1-CA 3.48Å; V295-E340 HydrophobicContact CG2-CG 4.32Å; V295-L345 HydrophobicContact CG2-CB 4.32Å; V295-L345 HydrophobicContact CG2-CD1 3.67Å; V295-Y350 HydrophobicContact CB-CD1 4.05Å; V295-Y350 HydrophobicContact CB-CE1 4.31Å; V295-Y350 HydrophobicContact CG1-CD1 3.4Å; V295-Y350 VanDerWaalsContact CG1-CD1 3.4Å; V295-Y350 HydrophobicContact CG1-CE1 3.41Å; V295-Y350 VanDerWaalsContact CG1-CE1 3.41Å; V295-Y350 HydrophobicContact CG1-CG 4.28Å; V295-P351 CarbonylContact O-C 3.46Å; V295-P351 WeakPolarHBondContact O-CA 3.42Å; V295-A352 HydrophobicContact CB-CB 4.45Å; V295-A352 PolarHBondContact N-O 3.41Å; V295-A352 PolarHBondContact O-N 3.02Å
296	L	96.9	Very high	94.2	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	154	-178.3	-56.6	-172.4	0	0	0	110.3	Y310 I311 W330 V331 G333 P351 F370	L296-Y310 HydrophobicContact CD2-CG 4.2Å; L296-I311 HydrophobicContact CD1-CG1 4Å; L296-W330 HydrophobicContact CD1-CB 4.23Å; L296-W330 HydrophobicContact CD1-CD2 4.04Å; L296-W330 HydrophobicContact CD1-CE3 3.67Å; L296-W330 HydrophobicContact CD1-CG 4.3Å; L296-W330 HydrophobicContact CD1-CZ3 4.41Å; L296-W330 HydrophobicContact CG-CB 4.36Å; L296-W330 HydrophobicContact CG-CE3 4.15Å; L296-V331 PolarHBondContact N-O 3.45Å; L296-G333 WeakPolarHBondContact O-CA 3.45Å; L296-G333 PolarHBondContact O-N 3.4Å; L296-P351 HydrophobicContact CD2-CB 4.37Å; L296-F370 HydrophobicContact CD2-CE1 4.23Å; L296-F370 HydrophobicContact CD2-CZ 3.82Å
297	P	96.1	Very high	94.6	Very high	14 Å²	14	42.6 Å²	42.6	9%	0.091	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-55.2	153.1	176.7	-24.4	34	0	0	0	112.8	D301 C302 R307 Y310	P297-D301 HydrophobicContact CB-CB 4.47Å; P297-C302 HydrophobicContact CB-CB 3.92Å; P297-C302 HydrophobicContact CG-CB 4.48Å; P297-R307 PolarHBondContact O-NH2 2.89Å; P297-Y310 HydrophobicContact CG-CE2 3.95Å
298	H	94.8	Very high	94.9	Very high	66 Å²	66	40 Å²	40	31%	0.306	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-56.6	147.4	175.5	-170.5	-91	0	0	0	110.6	L300 D301 C302 E332	H298-L300 PolarHBondContact ND1-N 3.15Å; H298-L300 PolarHBondContact O-N 2.73Å; H298-D301 PolarHBondContact O-N 3.31Å; H298-C302 PolarHBondContact O-N 3.25Å; H298-E332 IonicContact CD2-OE1 2.66Å; H298-E332 PolarHBondContact CD2-OE1 3.04Å; H298-E332 VanDerWaalsContact CD2-OE1 3.22Å; H298-E332 IonicContact NE2-OE1 3.63Å; H298-E332 PolarHBondContact NE2-OE1 2.91Å
299	I	94.5	Very high	95.1	Very high	19 Å²	19	41.5 Å²	41.5	10%	0.097	21%	0.209	C	C	.	.	H	α-helix	trans	-61.7	-31.7	-173.4	-168.8	62.7	0	0	0	112.1	D301 Q303 R307 E332 W406	I299-D301 VanDerWaalsContact C-N 3.28Å; I299-D301 PolarHBondContact O-N 3.01Å; I299-Q303 WeakPolarHBondContact O-CA 3.47Å; I299-Q303 PolarHBondContact O-N 3.23Å; I299-R307 HydrophobicContact CD1-CB 4.47Å; I299-E332 WeakPolarHBondContact CB-OE2 3.46Å; I299-E332 PolarHBondContact N-OE2 3.43Å; I299-W406 HydrophobicContact CD1-CZ2 4Å
300	L	92.9	Very high	95.4	Very high	37 Å²	37	37.9 Å²	37.9	19%	0.194	19%	0.19	C	C	.	.	H	α-helix	trans	-65.8	-28.9	176.5	-63.4	174.5	0	0	0	113.3	H298 Q303 Y413	H298-L300 PolarHBondContact ND1-N 3.15Å; H298-L300 PolarHBondContact O-N 2.73Å; L300-Q303 PolarHBondContact O-NE2 2.86Å; L300-Y413 HydrophobicContact CD1-CD1 4.4Å; L300-Y413 HydrophobicContact CD1-CE1 4.48Å; L300-Y413 HydrophobicContact CD2-CD1 4.29Å; L300-Y413 HydrophobicContact CD2-CE1 4.4Å; L300-Y413 HydrophobicContact CD2-CG 4.34Å
301	D	92.1	Very high	95.5	Very high	127 Å²	127	37 Å²	37	68%	0.679	19%	0.185	S	C	*	.	H	α-helix	trans	-84.7	-29.2	-178.2	-61.4	-33.3	0	0	0	112.9	P297 H298 I299	P297-D301 HydrophobicContact CB-CB 4.47Å; H298-D301 PolarHBondContact O-N 3.31Å; I299-D301 VanDerWaalsContact C-N 3.28Å; I299-D301 PolarHBondContact O-N 3.01Å
302	C	88	Confident	95.4	Very high	14 Å²	14	40.4 Å²	40.4	10%	0.095	20%	0.203	C	C	.	.	H	α-helix	trans	-118.9	-24.9	-168.2	173.7	0	0	0	0	112.8	P297 H298 C306 R307	P297-C302 HydrophobicContact CB-CB 3.92Å; P297-C302 HydrophobicContact CG-CB 4.48Å; H298-C302 PolarHBondContact O-N 3.25Å; C302-C306 HydrophobicContact CB-CB 4.2Å; C302-C306 WeakPolarHBondContact CB-SG 3.16Å; C302-C306 WeakPolarHBondContact O-CB 3.37Å; C302-C306 PolarHBondContact O-N 2.02Å; C302-C306 VanDerWaalsContact SG-CA 3.57Å; C302-C306 WeakPolarHBondContact SG-CB 3.48Å; C302-C306 CovalentContact SG-SG 2.04Å; C302-C306 PolarHBondContact SG-SG 2.79Å; C302-R307 PolarHBondContact SG-N 3.47Å
303	Q	93.7	Very high	95.4	Very high	50 Å²	50	42.2 Å²	42.2	23%	0.234	21%	0.213	C	C	.	.	H	α-helix	trans	56.9	176.1	-175.2	-58.6	-63.1	-24	0	0	112.5	I299 L300 K305 R307	I299-Q303 WeakPolarHBondContact O-CA 3.47Å; I299-Q303 PolarHBondContact O-N 3.23Å; L300-Q303 PolarHBondContact O-NE2 2.86Å; Q303-K305 VanDerWaalsContact C-N 3.3Å; Q303-K305 PolarHBondContact O-N 2.97Å; Q303-R307 WeakPolarHBondContact O-CB 3.26Å; Q303-R307 PolarHBondContact O-N 2.75Å; Q303-R307 VanDerWaalsContact O-N 3.13Å
304	S	94.7	Very high	95.4	Very high	25 Å²	25	42.2 Å²	42.2	18%	0.175	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-37.4	-173.2	63.7	0	0	0	0	112.7	R307 N308 D410	S304-R307 PolarHBondContact O-N 3.31Å; S304-N308 WeakPolarHBondContact O-CB 3.16Å; S304-N308 PolarHBondContact O-N 2.93Å; S304-N308 PolarHBondContact O-ND2 3.15Å; S304-D410 WeakPolarHBondContact CB-OD1 3.3Å; S304-D410 PolarHBondContact N-OD1 3.49Å; S304-D410 PolarHBondContact OG-OD1 2.95Å
305	K	94.8	Very high	95.4	Very high	152 Å²	152	48 Å²	48	66%	0.661	23%	0.234	S	C	*	.	H	α-helix	trans	-60.7	-55.3	-179	-175.6	-176	173.7	-171.2	0	111.6	Q303 R307 N308 E309	Q303-K305 VanDerWaalsContact C-N 3.3Å; Q303-K305 PolarHBondContact O-N 2.97Å; K305-R307 VanDerWaalsContact C-N 3.33Å; K305-R307 PolarHBondContact O-N 2.81Å; K305-N308 PolarHBondContact O-N 2.82Å; K305-E309 VanDerWaalsContact CE-OE1 3.3Å; K305-E309 WeakPolarHBondContact CE-OE1 3.26Å; K305-E309 WeakPolarHBondContact O-CG 3.26Å; K305-E309 PolarHBondContact O-N 3.48Å
306	C	94.5	Very high	95.3	Very high	35 Å²	35	51.7 Å²	51.7	24%	0.236	25%	0.252	C	S	.	.	H	α-helix	trans	-70.6	-31.2	-177.5	138.7	0	0	0	0	111.5	C302 N308 E309 Y310	C302-C306 HydrophobicContact CB-CB 4.2Å; C302-C306 WeakPolarHBondContact CB-SG 3.16Å; C302-C306 WeakPolarHBondContact O-CB 3.37Å; C302-C306 PolarHBondContact O-N 2.02Å; C302-C306 VanDerWaalsContact SG-CA 3.57Å; C302-C306 WeakPolarHBondContact SG-CB 3.48Å; C302-C306 CovalentContact SG-SG 2.04Å; C302-C306 PolarHBondContact SG-SG 2.79Å; C306-N308 PolarHBondContact O-N 2.81Å; C306-E309 WeakPolarHBondContact O-CB 2.96Å; C306-E309 PolarHBondContact O-N 3.09Å; C306-Y310 VanDerWaalsContact O-CD2 3.27Å; C306-Y310 WeakPolarHBondContact O-CD2 3.48Å; C306-Y310 PolarHBondContact O-N 3.39Å; C306-Y310 WeakPolarHBondContact SG-CE2 3.41Å
307	R	96.7	Very high	95.3	Very high	2 Å²	2	51.9 Å²	51.9	1%	0.008	25%	0.254	C	S	.	.	H	α-helix	trans	-62.3	-45.7	173.6	177.4	165.8	-67.7	-179.6	-0.2	111	P297 I299 C302 Q303 S304 K305 E309 Y310 I311 E332 W406	P297-R307 PolarHBondContact O-NH2 2.89Å; I299-R307 HydrophobicContact CD1-CB 4.47Å; C302-R307 PolarHBondContact SG-N 3.47Å; Q303-R307 WeakPolarHBondContact O-CB 3.26Å; Q303-R307 PolarHBondContact O-N 2.75Å; Q303-R307 VanDerWaalsContact O-N 3.13Å; S304-R307 PolarHBondContact O-N 3.31Å; K305-R307 VanDerWaalsContact C-N 3.33Å; K305-R307 PolarHBondContact O-N 2.81Å; R307-E309 VanDerWaalsContact C-N 3.32Å; R307-E309 PolarHBondContact O-N 3.16Å; R307-Y310 PolarHBondContact O-N 2.87Å; R307-I311 HydrophobicContact CG-CD1 3.88Å; R307-I311 HydrophobicContact CG-CG1 4.47Å; R307-I311 WeakPolarHBondContact O-CG1 3.42Å; R307-I311 PolarHBondContact O-N 3.4Å; R307-E332 IonicContact CZ-OE2 2.97Å; R307-E332 VanDerWaalsContact CZ-OE2 3.25Å; R307-E332 IonicContact NH1-OE2 3.25Å; R307-E332 PolarHBondContact NH1-OE2 3.38Å; R307-E332 IonicContact NH2-OE2 2.96Å; R307-E332 PolarHBondContact NH2-OE2 3.05Å; R307-W406 HydrophobicContact CB-CH2 4.1Å; R307-W406 HydrophobicContact CB-CZ2 4.49Å; R307-W406 HydrophobicContact CB-CZ3 4.49Å; R307-W406 HydrophobicContact CG-CE3 4.19Å; R307-W406 HydrophobicContact CG-CH2 3.84Å; R307-W406 HydrophobicContact CG-CZ2 4.38Å; R307-W406 HydrophobicContact CG-CZ3 3.74Å
308	N	96.7	Very high	95.2	Very high	67 Å²	67	51.3 Å²	51.3	36%	0.358	25%	0.25	S	C	.	.	H	α-helix	trans	-62.5	-37.3	176.4	-79.3	-47.5	0	0	0	112.5	S304 K305 C306 I311 D312	S304-N308 WeakPolarHBondContact O-CB 3.16Å; S304-N308 PolarHBondContact O-N 2.93Å; S304-N308 PolarHBondContact O-ND2 3.15Å; K305-N308 PolarHBondContact O-N 2.82Å; C306-N308 PolarHBondContact O-N 2.81Å; N308-I311 PolarHBondContact O-N 3.32Å; N308-D312 WeakPolarHBondContact O-CB 3.44Å; N308-D312 PolarHBondContact O-N 3Å
309	E	96.4	Very high	95.1	Very high	107 Å²	107	51.7 Å²	51.7	50%	0.5	25%	0.252	S	S	.	.	H	α-helix	trans	-61.4	-43.7	173.7	-71.9	172.2	-170.7	0	0	111.7	K305 C306 R307 D312 I313	K305-E309 VanDerWaalsContact CE-OE1 3.3Å; K305-E309 WeakPolarHBondContact CE-OE1 3.26Å; K305-E309 WeakPolarHBondContact O-CG 3.26Å; K305-E309 PolarHBondContact O-N 3.48Å; C306-E309 WeakPolarHBondContact O-CB 2.96Å; C306-E309 PolarHBondContact O-N 3.09Å; R307-E309 VanDerWaalsContact C-N 3.32Å; R307-E309 PolarHBondContact O-N 3.16Å; E309-D312 PolarHBondContact O-N 2.88Å; E309-I313 WeakPolarHBondContact O-CG1 3.42Å; E309-I313 PolarHBondContact O-N 3.25Å
310	Y	97.3	Very high	95	Very high	51 Å²	51	58.2 Å²	58.2	20%	0.2	28%	0.275	C	S	.	.	H	α-helix	trans	-64.4	-44.9	174.5	-73.5	-53.9	0	0	0	112.8	L296 P297 C306 R307 D312 I313 L314 P351 F370	L296-Y310 HydrophobicContact CD2-CG 4.2Å; P297-Y310 HydrophobicContact CG-CE2 3.95Å; C306-Y310 VanDerWaalsContact O-CD2 3.27Å; C306-Y310 WeakPolarHBondContact O-CD2 3.48Å; C306-Y310 PolarHBondContact O-N 3.39Å; C306-Y310 WeakPolarHBondContact SG-CE2 3.41Å; R307-Y310 PolarHBondContact O-N 2.87Å; Y310-D312 PolarHBondContact O-N 2.95Å; Y310-I313 HydrophobicContact CD1-CD1 4.39Å; Y310-I313 WeakPolarHBondContact O-CB 3.5Å; Y310-I313 PolarHBondContact O-N 3.08Å; Y310-L314 WeakPolarHBondContact O-CG 3.26Å; Y310-L314 PolarHBondContact O-N 3.39Å; Y310-P351 HydrophobicContact CD1-CG 4.46Å; Y310-P351 HydrophobicContact CE1-CB 4.36Å; Y310-P351 HydrophobicContact CE1-CG 3.73Å; Y310-F370 AromaticContact CD1-CD1 3.74Å; Y310-F370 HydrophobicContact CD1-CD1 3.74Å; Y310-F370 AromaticContact CD1-CE1 3.61Å; Y310-F370 HydrophobicContact CD1-CE1 3.61Å; Y310-F370 AromaticContact CE1-CD1 3.85Å; Y310-F370 HydrophobicContact CE1-CD1 3.85Å; Y310-F370 HydrophobicContact CE1-CE1 4.18Å; Y310-F370 HydrophobicContact CG-CE1 4.36Å
311	I	96.9	Very high	94.9	Very high	6 Å²	6	57.2 Å²	57.2	3%	0.031	27%	0.269	C	S	.	.	H	α-helix	trans	-62.1	-37.1	177.7	-63.2	169	0	0	0	110.2	I273 L296 R307 N308 L314 R315 W330 W406	I273-I311 HydrophobicContact CG2-CG2 4.41Å; L296-I311 HydrophobicContact CD1-CG1 4Å; R307-I311 HydrophobicContact CG-CD1 3.88Å; R307-I311 HydrophobicContact CG-CG1 4.47Å; R307-I311 WeakPolarHBondContact O-CG1 3.42Å; R307-I311 PolarHBondContact O-N 3.4Å; N308-I311 PolarHBondContact O-N 3.32Å; I311-L314 WeakPolarHBondContact O-CB 2.96Å; I311-L314 PolarHBondContact O-N 3.35Å; I311-R315 HydrophobicContact CG2-CG 4.46Å; I311-R315 WeakPolarHBondContact O-CG 3.31Å; I311-R315 PolarHBondContact O-N 2.75Å; I311-W330 HydrophobicContact CD1-CZ2 4.03Å; I311-W406 HydrophobicContact CD1-CE3 4.49Å; I311-W406 HydrophobicContact CD1-CZ3 4.04Å
312	D	96.9	Very high	94.8	Very high	73 Å²	73	53 Å²	53	39%	0.39	25%	0.245	S	C	.	.	H	α-helix	trans	-63.1	-41.7	174.7	-171.9	66.9	0	0	0	112.6	N308 E309 Y310 L314 R315 Q316	N308-D312 WeakPolarHBondContact O-CB 3.44Å; N308-D312 PolarHBondContact O-N 3Å; E309-D312 PolarHBondContact O-N 2.88Å; Y310-D312 PolarHBondContact O-N 2.95Å; D312-L314 VanDerWaalsContact C-N 3.28Å; D312-L314 PolarHBondContact O-N 2.75Å; D312-R315 PolarHBondContact O-N 3.12Å; D312-Q316 WeakPolarHBondContact O-CG 3.06Å; D312-Q316 PolarHBondContact O-N 2.83Å; D312-Q316 PolarHBondContact OD2-NE2 2.91Å
313	I	97.3	Very high	94.7	Very high	38 Å²	38	57.4 Å²	57.4	20%	0.195	26%	0.263	C	S	.	.	H	α-helix	trans	-58.4	-42.8	172.5	-67	166.2	0	0	0	110.7	E309 Y310 Q316 A317 I375	E309-I313 WeakPolarHBondContact O-CG1 3.42Å; E309-I313 PolarHBondContact O-N 3.25Å; Y310-I313 HydrophobicContact CD1-CD1 4.39Å; Y310-I313 WeakPolarHBondContact O-CB 3.5Å; Y310-I313 PolarHBondContact O-N 3.08Å; I313-Q316 PolarHBondContact O-N 2.79Å; I313-A317 WeakPolarHBondContact O-CB 3.49Å; I313-A317 PolarHBondContact O-N 3.25Å; I313-I375 HydrophobicContact CG2-CD1 3.6Å
314	L	97.7	Very high	94.5	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-65	-40.8	176.5	-62.5	179.9	0	0	0	112	I273 S294 Y310 I311 D312 A317 G318 W330 M353 F370	I273-L314 HydrophobicContact CD1-CB 4.44Å; I273-L314 HydrophobicContact CG1-CB 4.45Å; I273-L314 HydrophobicContact CG2-CB 3.98Å; I273-L314 HydrophobicContact CG2-CD1 4.11Å; S294-L314 VanDerWaalsContact OG-CD2 3.27Å; S294-L314 WeakPolarHBondContact OG-CD2 3.34Å; Y310-L314 WeakPolarHBondContact O-CG 3.26Å; Y310-L314 PolarHBondContact O-N 3.39Å; I311-L314 WeakPolarHBondContact O-CB 2.96Å; I311-L314 PolarHBondContact O-N 3.35Å; D312-L314 VanDerWaalsContact C-N 3.28Å; D312-L314 PolarHBondContact O-N 2.75Å; L314-A317 PolarHBondContact O-N 3.07Å; L314-G318 PolarHBondContact O-N 3.22Å; L314-W330 HydrophobicContact CD1-CB 3.99Å; L314-M353 HydrophobicContact CD2-CE 3.52Å; L314-F370 HydrophobicContact CD2-CZ 4.1Å
315	R	96.7	Very high	94.2	Very high	123 Å²	123	63.3 Å²	63.3	46%	0.464	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-46	174.8	-71.6	176.8	-172.1	124.5	-0.3	111.6	I273 I311 D312 A317 G318 E319	I273-R315 HydrophobicContact CB-CG 4.48Å; I273-R315 HydrophobicContact CG1-CB 4.43Å; I273-R315 HydrophobicContact CG1-CG 3.73Å; I311-R315 HydrophobicContact CG2-CG 4.46Å; I311-R315 WeakPolarHBondContact O-CG 3.31Å; I311-R315 PolarHBondContact O-N 2.75Å; D312-R315 PolarHBondContact O-N 3.12Å; R315-A317 VanDerWaalsContact C-N 3.3Å; R315-A317 PolarHBondContact O-N 3.42Å; R315-G318 PolarHBondContact O-N 3.35Å; R315-E319 PolarHBondContact O-N 2.99Å
316	Q	95.7	Very high	94.2	Very high	78 Å²	78	56.3 Å²	56.3	36%	0.364	25%	0.252	S	S	.	.	H	α-helix	trans	-60.7	-40	176	-71.6	-178	56.7	0	0	111.8	D312 I313 R320	D312-Q316 WeakPolarHBondContact O-CG 3.06Å; D312-Q316 PolarHBondContact O-N 2.83Å; D312-Q316 PolarHBondContact OD2-NE2 2.91Å; I313-Q316 PolarHBondContact O-N 2.79Å; Q316-R320 WeakPolarHBondContact O-CB 3.07Å; Q316-R320 PolarHBondContact O-N 3.47Å; Q316-R320 VanDerWaalsContact O-N 3.1Å
317	A	96.4	Very high	94.2	Very high	5 Å²	5	55 Å²	55	4%	0.041	24%	0.244	C	C	.	.	H	α-helix	trans	-67.7	-43.5	175.4	0	0	0	0	0	111.7	I313 L314 R315 E319 R320 F321 W328 I375 L379	I313-A317 WeakPolarHBondContact O-CB 3.49Å; I313-A317 PolarHBondContact O-N 3.25Å; L314-A317 PolarHBondContact O-N 3.07Å; R315-A317 VanDerWaalsContact C-N 3.3Å; R315-A317 PolarHBondContact O-N 3.42Å; A317-E319 PolarHBondContact O-N 3.33Å; A317-R320 PolarHBondContact O-N 3.21Å; A317-F321 WeakPolarHBondContact O-CD2 3.49Å; A317-F321 PolarHBondContact O-N 2.92Å; A317-W328 HydrophobicContact CB-CH2 3.65Å; A317-W328 HydrophobicContact CB-CZ3 3.91Å; A317-I375 HydrophobicContact CB-CG2 3.79Å; A317-L379 HydrophobicContact CB-CD1 4.08Å
318	G	95	Very high	94.3	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-54.8	-49.9	174.3	0	0	0	0	0	112.4	P271 L314 R315 R320 F321 K322 W328	P271-G318 VanDerWaalsContact CD-O 3.31Å; P271-G318 WeakPolarHBondContact CD-O 3.35Å; L314-G318 PolarHBondContact O-N 3.22Å; R315-G318 PolarHBondContact O-N 3.35Å; G318-R320 PolarHBondContact O-N 3.1Å; G318-F321 CarbonylContact O-C 3.53Å; G318-F321 PolarHBondContact O-N 3.41Å; G318-K322 WeakPolarHBondContact O-CA 3.4Å; G318-K322 PolarHBondContact O-N 2.99Å; G318-W328 VanDerWaalsContact CA-CZ2 3.48Å
319	E	91.7	Very high	94.4	Very high	75 Å²	75	52.2 Å²	52.2	35%	0.35	23%	0.228	S	C	.	.	H	α-helix	trans	-60	-45.6	176.1	177.7	57.5	-157.3	0	0	111.5	P270 R315 A317 F321 K322	P270-E319 WeakPolarHBondContact CA-OE2 2.98Å; P270-E319 HydrophobicContact CB-CB 4.32Å; P270-E319 WeakPolarHBondContact CB-OE2 3.37Å; P270-E319 VanDerWaalsContact CD-OE2 3.26Å; P270-E319 WeakPolarHBondContact CD-OE2 3.49Å; P270-E319 WeakPolarHBondContact CG-OE2 3.4Å; R315-E319 PolarHBondContact O-N 2.99Å; A317-E319 PolarHBondContact O-N 3.33Å; E319-F321 VanDerWaalsContact C-N 3.3Å; E319-F321 PolarHBondContact O-N 3.03Å; E319-K322 WeakPolarHBondContact O-CD 3.06Å; E319-K322 VanDerWaalsContact O-CG 3.27Å; E319-K322 WeakPolarHBondContact O-CG 3.36Å; E319-K322 PolarHBondContact O-N 3.1Å; E319-K322 WeakPolarHBondContact OE1-CE 3.33Å; E319-K322 IonicContact OE1-NZ 2.92Å; E319-K322 PolarHBondContact OE1-NZ 3.21Å; E319-K322 IonicContact OE2-NZ 3.2Å
320	R	92.1	Very high	94.4	Very high	156 Å²	156	47.7 Å²	47.7	59%	0.589	21%	0.207	S	C	*	.	H	α-helix	trans	-62.7	-35.9	-179.1	-175.7	173.1	-173	152.3	6.2	113.1	Q316 A317 G318 T376	Q316-R320 WeakPolarHBondContact O-CB 3.07Å; Q316-R320 PolarHBondContact O-N 3.47Å; Q316-R320 VanDerWaalsContact O-N 3.1Å; A317-R320 PolarHBondContact O-N 3.21Å; G318-R320 PolarHBondContact O-N 3.1Å; R320-T376 PolarHBondContact NH1-OG1 3.48Å
321	F	92.5	Very high	94.4	Very high	15 Å²	15	45.4 Å²	45.4	7%	0.066	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	15.8	-176.3	-68.9	-84.4	0	0	0	113.4	A317 G318 E319 K323 N324 W326 W328 T376 L379 R380	A317-F321 WeakPolarHBondContact O-CD2 3.49Å; A317-F321 PolarHBondContact O-N 2.92Å; G318-F321 CarbonylContact O-C 3.53Å; G318-F321 PolarHBondContact O-N 3.41Å; E319-F321 VanDerWaalsContact C-N 3.3Å; E319-F321 PolarHBondContact O-N 3.03Å; F321-K323 PolarHBondContact O-N 3.48Å; F321-K323 VanDerWaalsContact O-N 3.09Å; F321-N324 WeakPolarHBondContact O-CB 3.36Å; F321-N324 PolarHBondContact O-N 3.47Å; F321-N324 PolarHBondContact O-OD1 3.47Å; F321-W326 HydrophobicContact CB-CE3 4.41Å; F321-W326 HydrophobicContact CB-CZ3 4.22Å; F321-W326 HydrophobicContact CD1-CH2 4.49Å; F321-W326 HydrophobicContact CD1-CZ3 4.2Å; F321-W326 HydrophobicContact CG-CZ3 4.31Å; F321-W328 HydrophobicContact CB-CZ2 4.43Å; F321-T376 HydrophobicContact CZ-CG2 4.42Å; F321-T376 WeakPolarHBondContact CZ-O 3.5Å; F321-L379 HydrophobicContact CD1-CB 4.17Å; F321-L379 HydrophobicContact CD2-CB 3.86Å; F321-L379 HydrophobicContact CD2-CD1 3.67Å; F321-L379 HydrophobicContact CD2-CG 4.46Å; F321-L379 HydrophobicContact CE1-CB 3.87Å; F321-L379 HydrophobicContact CE2-CB 3.55Å; F321-L379 HydrophobicContact CE2-CD1 3.9Å; F321-L379 HydrophobicContact CE2-CG 4.39Å; F321-L379 HydrophobicContact CG-CB 4.17Å; F321-L379 HydrophobicContact CG-CD1 4.33Å; F321-L379 HydrophobicContact CZ-CB 3.55Å; F321-R380 HydrophobicContact CE1-CB 4.31Å; F321-R380 HydrophobicContact CZ-CB 4.18Å
322	K	89.1	Confident	94.4	Very high	38 Å²	38	46.9 Å²	46.9	17%	0.165	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-56.2	-31	-178	69.4	-170.7	-175.6	175.3	0	114.1	E266 A268 G318 E319 N324 R325	E266-K322 WeakPolarHBondContact O-CE 3Å; E266-K322 PolarHBondContact O-NZ 3.3Å; A268-K322 WeakPolarHBondContact O-CD 3.27Å; A268-K322 WeakPolarHBondContact O-CE 3.36Å; A268-K322 PolarHBondContact O-NZ 2.99Å; A268-K322 VanDerWaalsContact O-NZ 3.12Å; G318-K322 WeakPolarHBondContact O-CA 3.4Å; G318-K322 PolarHBondContact O-N 2.99Å; E319-K322 WeakPolarHBondContact O-CD 3.06Å; E319-K322 VanDerWaalsContact O-CG 3.27Å; E319-K322 WeakPolarHBondContact O-CG 3.36Å; E319-K322 PolarHBondContact O-N 3.1Å; E319-K322 WeakPolarHBondContact OE1-CE 3.33Å; E319-K322 IonicContact OE1-NZ 2.92Å; E319-K322 PolarHBondContact OE1-NZ 3.21Å; E319-K322 IonicContact OE2-NZ 3.2Å; K322-N324 PolarHBondContact O-N 3.17Å; K322-N324 VanDerWaalsContact O-N 3.15Å; K322-R325 PolarHBondContact O-N 2.88Å
323	K	85.8	Confident	94.3	Very high	108 Å²	108	43.5 Å²	43.5	47%	0.47	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-57.3	-29	175.4	-66.4	-170.9	177	-164.9	0	113	A265 E266 F321 R325	A265-K323 HydrophobicContact CB-CB 4.37Å; A265-K323 HydrophobicContact CB-CG 4.13Å; E266-K323 IonicContact OE1-NZ 3.84Å; E266-K323 PolarHBondContact OE1-NZ 2.83Å; F321-K323 PolarHBondContact O-N 3.48Å; F321-K323 VanDerWaalsContact O-N 3.09Å; K323-R325 VanDerWaalsContact C-N 3.29Å; K323-R325 PolarHBondContact O-N 2.88Å
324	N	89.7	Confident	94.1	Very high	48 Å²	48	44.9 Å²	44.9	26%	0.257	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-78.1	-13.4	-178.7	-67.5	79.3	0	0	0	113.4	F321 K322 W326 S383	F321-N324 WeakPolarHBondContact O-CB 3.36Å; F321-N324 PolarHBondContact O-N 3.47Å; F321-N324 PolarHBondContact O-OD1 3.47Å; K322-N324 PolarHBondContact O-N 3.17Å; K322-N324 VanDerWaalsContact O-N 3.15Å; N324-W326 VanDerWaalsContact C-N 3.29Å; N324-W326 HydrophobicContact CB-CD2 3.71Å; N324-W326 VanDerWaalsContact CB-CE2 3.47Å; N324-W326 HydrophobicContact CB-CE3 4.22Å; N324-W326 HydrophobicContact CB-CG 4.07Å; N324-W326 HydrophobicContact CB-CH2 4.31Å; N324-W326 HydrophobicContact CB-CZ2 3.82Å; N324-W326 HydrophobicContact CB-CZ3 4.47Å; N324-W326 WeakPolarHBondContact ND2-CZ2 3.42Å; N324-W326 PolarHBondContact O-N 3.2Å; N324-S383 WeakPolarHBondContact ND2-CB 3.15Å
325	R	88.2	Confident	93.9	Very high	151 Å²	151	46.2 Å²	46.2	57%	0.57	22%	0.215	S	C	*	.			trans	49.5	50.1	-179.1	-55.6	-175.4	-178.4	-158.1	-1.9	111.9	H288 K322 K323	H288-R325 PolarHBondContact CD2-O 3.37Å; H288-R325 VanDerWaalsContact CD2-O 3.25Å; K322-R325 PolarHBondContact O-N 2.88Å; K323-R325 VanDerWaalsContact C-N 3.29Å; K323-R325 PolarHBondContact O-N 2.88Å
326	W	94.6	Very high	93.8	Very high	5 Å²	5	40.4 Å²	40.4	2%	0.019	19%	0.193	C	C	.	.			trans	-87.1	148.5	171.4	-61.6	-23.3	0	0	0	110.1	L290 I292 F321 N324 W328 L379 L382	L290-W326 HydrophobicContact CB-CD2 4.37Å; L290-W326 HydrophobicContact CB-CG 3.97Å; L290-W326 HydrophobicContact CD1-CD2 4.39Å; L290-W326 HydrophobicContact CD1-CZ2 3.9Å; L290-W326 WeakPolarHBondContact O-CA 3.42Å; L290-W326 WeakPolarHBondContact O-CB 3.21Å; I292-W326 HydrophobicContact CD1-CD2 4.33Å; I292-W326 HydrophobicContact CD1-CE3 3.92Å; I292-W326 HydrophobicContact CD1-CZ3 4.5Å; I292-W326 HydrophobicContact CG1-CB 4.17Å; I292-W326 HydrophobicContact CG1-CE3 4.06Å; F321-W326 HydrophobicContact CB-CE3 4.41Å; F321-W326 HydrophobicContact CB-CZ3 4.22Å; F321-W326 HydrophobicContact CD1-CH2 4.49Å; F321-W326 HydrophobicContact CD1-CZ3 4.2Å; F321-W326 HydrophobicContact CG-CZ3 4.31Å; N324-W326 VanDerWaalsContact C-N 3.29Å; N324-W326 HydrophobicContact CB-CD2 3.71Å; N324-W326 VanDerWaalsContact CB-CE2 3.47Å; N324-W326 HydrophobicContact CB-CE3 4.22Å; N324-W326 HydrophobicContact CB-CG 4.07Å; N324-W326 HydrophobicContact CB-CH2 4.31Å; N324-W326 HydrophobicContact CB-CZ2 3.82Å; N324-W326 HydrophobicContact CB-CZ3 4.47Å; N324-W326 WeakPolarHBondContact ND2-CZ2 3.42Å; N324-W326 PolarHBondContact O-N 3.2Å; W326-W328 PolarHBondContact O-NE1 3.36Å; W326-L379 HydrophobicContact CE3-CD2 4.33Å; W326-L379 WeakPolarHBondContact CH2-O 3.46Å; W326-L379 HydrophobicContact CZ3-CB 3.99Å; W326-L379 HydrophobicContact CZ3-CD2 3.83Å; W326-L379 HydrophobicContact CZ3-CG 4.34Å; W326-L382 HydrophobicContact CH2-CB 3.96Å; W326-L382 HydrophobicContact CZ2-CB 4.3Å
327	G	95.9	Very high	93.7	Very high	6 Å²	6	40.2 Å²	40.2	6%	0.062	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	150.8	169.6	0	0	0	0	0	110.2	L290 C291 I292	L290-G327 PolarHBondContact O-N 3.34Å; C291-G327 CarbonylContact C-O 3.6Å; I292-G327 PolarHBondContact N-O 2.82Å
328	W	97.7	Very high	93.6	Very high	9 Å²	9	42.8 Å²	42.8	3%	0.034	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	119.3	-174.9	-67.1	77.8	0	0	0	110.6	P271 I273 E274 I292 A317 G318 F321 W326 L379	P271-W328 HydrophobicContact CB-CG 4.42Å; P271-W328 VanDerWaalsContact CG-CD1 3.48Å; P271-W328 HydrophobicContact CG-CG 4.28Å; I273-W328 HydrophobicContact CD1-CB 3.45Å; I273-W328 VanDerWaalsContact CD1-CB 3.45Å; I273-W328 HydrophobicContact CD1-CD2 3.85Å; I273-W328 HydrophobicContact CD1-CE3 3.93Å; I273-W328 HydrophobicContact CD1-CG 3.65Å; E274-W328 PolarHBondContact N-O 2.87Å; I292-W328 HydrophobicContact CB-CD2 4.06Å; I292-W328 HydrophobicContact CB-CE3 3.91Å; I292-W328 HydrophobicContact CB-CZ3 4.26Å; I292-W328 HydrophobicContact CG1-CD2 4.25Å; I292-W328 HydrophobicContact CG1-CE3 4.38Å; I292-W328 HydrophobicContact CG1-CH2 4.45Å; I292-W328 HydrophobicContact CG1-CZ2 4.25Å; I292-W328 HydrophobicContact CG1-CZ3 4.49Å; I292-W328 HydrophobicContact CG2-CE3 3.87Å; I292-W328 HydrophobicContact CG2-CH2 4.46Å; I292-W328 HydrophobicContact CG2-CZ3 3.85Å; A317-W328 HydrophobicContact CB-CH2 3.65Å; A317-W328 HydrophobicContact CB-CZ3 3.91Å; G318-W328 VanDerWaalsContact CA-CZ2 3.48Å; F321-W328 HydrophobicContact CB-CZ2 4.43Å; W326-W328 PolarHBondContact O-NE1 3.36Å; W328-L379 HydrophobicContact CH2-CD1 3.42Å; W328-L379 VanDerWaalsContact CH2-CD1 3.42Å; W328-L379 HydrophobicContact CZ2-CD1 4.2Å; W328-L379 HydrophobicContact CZ3-CD1 4.23Å
329	L	98.1	Very high	93.6	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.2	176.6	-63.2	176.7	0	0	0	110	E274 L276 R281 L282 C285 I292 I293 S294	E274-L329 HydrophobicContact CB-CD2 3.99Å; E274-L329 CarbonylContact O-C 3.55Å; E274-L329 VanDerWaalsContact O-CA 3.26Å; E274-L329 WeakPolarHBondContact O-CA 3.29Å; L276-L329 HydrophobicContact CD1-CD1 4.16Å; R281-L329 HydrophobicContact CB-CD2 4.36Å; L282-L329 HydrophobicContact CD1-CD1 4.4Å; C285-L329 HydrophobicContact CB-CD1 3.73Å; C285-L329 HydrophobicContact CB-CG 4.19Å; I292-L329 PolarHBondContact O-N 3.34Å; I293-L329 CarbonylContact C-O 3.58Å; I293-L329 WeakPolarHBondContact CA-O 3.36Å; I293-L329 HydrophobicContact CG1-CB 4.38Å; S294-L329 PolarHBondContact N-O 2.89Å
330	W	97.8	Very high	93.8	Very high	12 Å²	12	39.7 Å²	39.7	5%	0.045	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	157.2	163.5	71.8	-82	0	0	0	110.6	E274 E275 L276 S294 L296 I311 L314 W406	E274-W330 VanDerWaalsContact C-CD1 3.49Å; E274-W330 PolarHBondContact O-N 2.7Å; E275-W330 CarbonylContact C-O 3.58Å; E275-W330 WeakPolarHBondContact CA-O 3.48Å; E275-W330 HydrophobicContact CB-CD2 4.38Å; E275-W330 HydrophobicContact CB-CH2 4.27Å; E275-W330 HydrophobicContact CB-CZ2 3.58Å; E275-W330 HydrophobicContact CG-CD2 4.34Å; E275-W330 HydrophobicContact CG-CE3 4.47Å; E275-W330 HydrophobicContact CG-CH2 3.74Å; E275-W330 HydrophobicContact CG-CZ2 3.58Å; E275-W330 HydrophobicContact CG-CZ3 4.19Å; L276-W330 PolarHBondContact N-O 3.39Å; S294-W330 CarbonylContact O-C 3.51Å; S294-W330 WeakPolarHBondContact O-CA 3.23Å; L296-W330 HydrophobicContact CD1-CB 4.23Å; L296-W330 HydrophobicContact CD1-CD2 4.04Å; L296-W330 HydrophobicContact CD1-CE3 3.67Å; L296-W330 HydrophobicContact CD1-CG 4.3Å; L296-W330 HydrophobicContact CD1-CZ3 4.41Å; L296-W330 HydrophobicContact CG-CB 4.36Å; L296-W330 HydrophobicContact CG-CE3 4.15Å; I311-W330 HydrophobicContact CD1-CZ2 4.03Å; L314-W330 HydrophobicContact CD1-CB 3.99Å; W330-W406 HydrophobicContact CH2-CB 4.11Å; W330-W406 HydrophobicContact CH2-CE3 4.2Å; W330-W406 HydrophobicContact CZ2-CE3 4.36Å
331	V	97.2	Very high	93.9	Very high	3 Å²	3	38.3 Å²	38.3	2%	0.018	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	148.7	179.7	66.1	0	0	0	0	109.5	L276 S294 V295 L296 A335 Q336	L276-V331 HydrophobicContact CB-CB 4.21Å; L276-V331 HydrophobicContact CB-CG2 4.42Å; S294-V331 PolarHBondContact O-N 2.94Å; V295-V331 CarbonylContact C-O 3.58Å; V295-V331 WeakPolarHBondContact CA-O 3.36Å; V295-V331 HydrophobicContact CB-CG1 4.18Å; V295-V331 HydrophobicContact CG1-CG1 4.16Å; V295-V331 HydrophobicContact CG2-CG1 3.77Å; L296-V331 PolarHBondContact N-O 3.45Å; V331-A335 HydrophobicContact CG2-CB 4.37Å; V331-Q336 HydrophobicContact CG2-CB 4.1Å; V331-Q336 HydrophobicContact CG2-CG 3.42Å; V331-Q336 VanDerWaalsContact CG2-CG 3.42Å
332	E	96	Very high	94	Very high	36 Å²	36	37.9 Å²	37.9	17%	0.168	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	137	170	-174.2	171.3	92.8	0	0	110.9	H298 I299 R307 A335	H298-E332 IonicContact CD2-OE1 2.66Å; H298-E332 PolarHBondContact CD2-OE1 3.04Å; H298-E332 VanDerWaalsContact CD2-OE1 3.22Å; H298-E332 IonicContact NE2-OE1 3.63Å; H298-E332 PolarHBondContact NE2-OE1 2.91Å; I299-E332 WeakPolarHBondContact CB-OE2 3.46Å; I299-E332 PolarHBondContact N-OE2 3.43Å; R307-E332 IonicContact CZ-OE2 2.97Å; R307-E332 VanDerWaalsContact CZ-OE2 3.25Å; R307-E332 IonicContact NH1-OE2 3.25Å; R307-E332 PolarHBondContact NH1-OE2 3.38Å; R307-E332 IonicContact NH2-OE2 2.96Å; R307-E332 PolarHBondContact NH2-OE2 3.05Å; E332-A335 HydrophobicContact CB-CB 4.07Å; E332-A335 VanDerWaalsContact O-CB 3.22Å; E332-A335 WeakPolarHBondContact O-CB 3.47Å; E332-A335 PolarHBondContact O-N 2.94Å; E332-A335 VanDerWaalsContact O-N 3.1Å
333	G	95	Very high	94.2	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.021	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	137.5	177.9	0	0	0	0	0	112	V295 L296 A335	V295-G333 VanDerWaalsContact CG1-CA 3.48Å; L296-G333 WeakPolarHBondContact O-CA 3.45Å; L296-G333 PolarHBondContact O-N 3.4Å; G333-A335 PolarHBondContact O-N 2.91Å
334	A	92.7	Very high	94.5	Very high	68 Å²	68	33.1 Å²	33.1	56%	0.562	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.3	-3.5	-173.2	0	0	0	0	0	116.1	Q336 E340 Y350	A334-Q336 VanDerWaalsContact C-N 3.33Å; A334-Q336 PolarHBondContact O-N 3.46Å; A334-E340 WeakPolarHBondContact CA-OE1 3.36Å; A334-E340 PolarHBondContact N-OE1 2.89Å; A334-Y350 PolarHBondContact N-OH 3.18Å
335	A	93.8	Very high	94.5	Very high	28 Å²	28	31.6 Å²	31.6	23%	0.231	19%	0.185	C	C	.	.	S	Bend	trans	-74.1	-23.9	177.9	0	0	0	0	0	113	V331 E332 G333	V331-A335 HydrophobicContact CG2-CB 4.37Å; E332-A335 HydrophobicContact CB-CB 4.07Å; E332-A335 VanDerWaalsContact O-CB 3.22Å; E332-A335 WeakPolarHBondContact O-CB 3.47Å; E332-A335 PolarHBondContact O-N 2.94Å; E332-A335 VanDerWaalsContact O-N 3.1Å; G333-A335 PolarHBondContact O-N 2.91Å
336	Q	95.7	Very high	94.1	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.005	17%	0.171	C	C	.	.			trans	-129.8	66.9	-177.5	-60.9	-63.4	-16.1	0	0	111.5	V331 A334 S338 L339 E340 V401	V331-Q336 HydrophobicContact CG2-CB 4.1Å; V331-Q336 HydrophobicContact CG2-CG 3.42Å; V331-Q336 VanDerWaalsContact CG2-CG 3.42Å; A334-Q336 VanDerWaalsContact C-N 3.33Å; A334-Q336 PolarHBondContact O-N 3.46Å; Q336-S338 VanDerWaalsContact C-N 3.29Å; Q336-S338 PolarHBondContact O-N 2.61Å; Q336-L339 HydrophobicContact CB-CB 3.95Å; Q336-L339 HydrophobicContact CB-CD2 4.27Å; Q336-L339 WeakPolarHBondContact O-CB 3.45Å; Q336-L339 PolarHBondContact O-N 2.63Å; Q336-E340 WeakPolarHBondContact O-CG 3.49Å; Q336-E340 PolarHBondContact O-N 3.02Å; Q336-V401 PolarHBondContact NE2-O 2.97Å
337	P	93.3	Very high	93.4	Very high	75 Å²	75	28.8 Å²	28.8	49%	0.487	21%	0.205	S	C	.	.	H	α-helix	trans	-58.5	-37.6	-170.5	22.1	-33.8	0	0	0	113.4	L339 E340 E341	P337-L339 VanDerWaalsContact C-N 3.35Å; P337-L339 PolarHBondContact O-N 2.67Å; P337-E340 PolarHBondContact O-N 2.74Å; P337-E341 WeakPolarHBondContact O-CB 3.36Å; P337-E341 PolarHBondContact O-N 3.19Å
338	S	94.3	Very high	92.7	Very high	58 Å²	58	38.5 Å²	38.5	41%	0.406	25%	0.246	S	C	.	.	H	α-helix	trans	-66.2	-35.2	177.7	-60.1	0	0	0	0	113.1	Q336 A342	Q336-S338 VanDerWaalsContact C-N 3.29Å; Q336-S338 PolarHBondContact O-N 2.61Å; S338-A342 WeakPolarHBondContact O-CB 3.14Å; S338-A342 PolarHBondContact O-N 3.42Å; S338-A342 VanDerWaalsContact O-N 3.1Å
339	L	95.2	Very high	92.4	Very high	3 Å²	3	39.9 Å²	39.9	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-70.3	-46.9	175.3	175.1	68.3	0	0	0	110.7	L276 I293 Q336 P337 E341 A342 L343 P398 I400	L276-L339 HydrophobicContact CD2-CD2 3.36Å; I293-L339 HydrophobicContact CD1-CD1 4.29Å; I293-L339 HydrophobicContact CG2-CD2 4.24Å; Q336-L339 HydrophobicContact CB-CB 3.95Å; Q336-L339 HydrophobicContact CB-CD2 4.27Å; Q336-L339 WeakPolarHBondContact O-CB 3.45Å; Q336-L339 PolarHBondContact O-N 2.63Å; P337-L339 VanDerWaalsContact C-N 3.35Å; P337-L339 PolarHBondContact O-N 2.67Å; L339-E341 VanDerWaalsContact C-N 3.34Å; L339-E341 PolarHBondContact O-N 3.48Å; L339-A342 PolarHBondContact O-N 2.98Å; L339-L343 HydrophobicContact CD1-CD1 3.66Å; L339-L343 HydrophobicContact CD1-CG 4.14Å; L339-L343 HydrophobicContact CG-CD1 3.99Å; L339-L343 WeakPolarHBondContact O-CB 3.18Å; L339-L343 WeakPolarHBondContact O-CG 3.35Å; L339-L343 PolarHBondContact O-N 2.78Å; L339-P398 HydrophobicContact CB-CB 4.42Å; L339-P398 HydrophobicContact CB-CG 4.21Å; L339-P398 HydrophobicContact CD1-CG 3.55Å; L339-I400 HydrophobicContact CB-CD1 3.92Å; L339-I400 HydrophobicContact CD1-CD1 4.49Å; L339-I400 HydrophobicContact CD2-CD1 4.16Å; L339-I400 HydrophobicContact CG-CD1 4.43Å
340	E	95	Very high	92.2	Very high	9 Å²	9	43.4 Å²	43.4	4%	0.042	28%	0.277	C	S	.	.	H	α-helix	trans	-61.7	-44	-179.8	-66	-176.9	-120.9	0	0	111.1	V295 A334 Q336 P337 A342 L343 G344 L345 Y350	V295-E340 HydrophobicContact CG2-CG 4.32Å; A334-E340 WeakPolarHBondContact CA-OE1 3.36Å; A334-E340 PolarHBondContact N-OE1 2.89Å; Q336-E340 WeakPolarHBondContact O-CG 3.49Å; Q336-E340 PolarHBondContact O-N 3.02Å; P337-E340 PolarHBondContact O-N 2.74Å; E340-A342 PolarHBondContact O-N 3.19Å; E340-L343 CarbonylContact O-C 3.52Å; E340-L343 PolarHBondContact O-N 2.86Å; E340-G344 CarbonylContact O-C 3.6Å; E340-G344 WeakPolarHBondContact O-CA 3.27Å; E340-G344 PolarHBondContact O-N 2.79Å; E340-L345 HydrophobicContact CB-CB 4.4Å; E340-L345 PolarHBondContact O-N 3.28Å; E340-Y350 VanDerWaalsContact OE2-CE1 3.24Å; E340-Y350 WeakPolarHBondContact OE2-CE1 3.26Å; E340-Y350 PolarHBondContact OE2-OH 3.49Å
341	E	93.8	Very high	92.1	Very high	126 Å²	126	44.3 Å²	44.3	59%	0.589	29%	0.285	S	S	*	.	H	α-helix	trans	-61.8	-43.9	174.1	-174.1	-176.9	179.7	0	0	112.1	P337 L339 L343 G344 K393	P337-E341 WeakPolarHBondContact O-CB 3.36Å; P337-E341 PolarHBondContact O-N 3.19Å; L339-E341 VanDerWaalsContact C-N 3.34Å; L339-E341 PolarHBondContact O-N 3.48Å; E341-L343 VanDerWaalsContact C-N 3.25Å; E341-L343 PolarHBondContact O-N 2.85Å; E341-G344 PolarHBondContact O-N 2.91Å; E341-K393 HydrophobicContact CG-CD 4.45Å
342	A	94.6	Very high	92.1	Very high	6 Å²	6	45 Å²	45	5%	0.05	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-33.4	-179.2	0	0	0	0	0	112.7	S338 L339 E340 M392 K393 P398	S338-A342 WeakPolarHBondContact O-CB 3.14Å; S338-A342 PolarHBondContact O-N 3.42Å; S338-A342 VanDerWaalsContact O-N 3.1Å; L339-A342 PolarHBondContact O-N 2.98Å; E340-A342 PolarHBondContact O-N 3.19Å; A342-M392 HydrophobicContact CB-CG 3.87Å; A342-M392 HydrophobicContact CB-SD 4.35Å; A342-M392 WeakPolarHBondContact O-CG 3.48Å; A342-K393 PolarHBondContact O-N 2.04Å; A342-K393 VanDerWaalsContact O-N 3.16Å; A342-P398 HydrophobicContact CB-CB 4.09Å; A342-P398 HydrophobicContact CB-CG 4.17Å
343	L	94.3	Very high	92.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-95.5	-1.9	178.4	-61.7	179.8	0	0	0	113.6	I293 L339 E340 E341 L345 A354 V356 F363 M392	I293-L343 HydrophobicContact CD1-CD1 4.27Å; L339-L343 HydrophobicContact CD1-CD1 3.66Å; L339-L343 HydrophobicContact CD1-CG 4.14Å; L339-L343 HydrophobicContact CG-CD1 3.99Å; L339-L343 WeakPolarHBondContact O-CB 3.18Å; L339-L343 WeakPolarHBondContact O-CG 3.35Å; L339-L343 PolarHBondContact O-N 2.78Å; E340-L343 CarbonylContact O-C 3.52Å; E340-L343 PolarHBondContact O-N 2.86Å; E341-L343 VanDerWaalsContact C-N 3.25Å; E341-L343 PolarHBondContact O-N 2.85Å; L343-L345 HydrophobicContact CB-CD1 3.82Å; L343-L345 HydrophobicContact CB-CG 3.7Å; L343-L345 HydrophobicContact CD1-CD1 3.88Å; L343-L345 PolarHBondContact O-N 2.98Å; L343-A354 HydrophobicContact CD1-CB 4.32Å; L343-V356 HydrophobicContact CD1-CG2 4.01Å; L343-V356 HydrophobicContact CD2-CG1 4.49Å; L343-V356 HydrophobicContact CD2-CG2 3.63Å; L343-F363 HydrophobicContact CD2-CB 3.85Å; L343-F363 HydrophobicContact CD2-CD1 3.9Å; L343-F363 HydrophobicContact CD2-CD2 4.38Å; L343-F363 HydrophobicContact CD2-CG 3.79Å; L343-F363 WeakPolarHBondContact O-CE2 3.41Å; L343-F363 WeakPolarHBondContact O-CZ 3.5Å; L343-M392 HydrophobicContact CD2-CE 3.73Å
344	G	92.1	Very high	92.2	Very high	45 Å²	45	43.2 Å²	43.2	46%	0.464	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	33	-174.9	0	0	0	0	0	113.6	E340 E341	E340-G344 CarbonylContact O-C 3.6Å; E340-G344 WeakPolarHBondContact O-CA 3.27Å; E340-G344 PolarHBondContact O-N 2.79Å; E341-G344 PolarHBondContact O-N 2.91Å
345	L	90.3	Very high	92.5	Very high	16 Å²	16	40.1 Å²	40.1	8%	0.084	26%	0.256	C	S	.	.			trans	-93.4	159.1	175.9	-55.5	178.7	0	0	0	110.1	V295 E340 L343 A352 A354 T365	V295-L345 HydrophobicContact CG2-CB 4.32Å; V295-L345 HydrophobicContact CG2-CD1 3.67Å; E340-L345 HydrophobicContact CB-CB 4.4Å; E340-L345 PolarHBondContact O-N 3.28Å; L343-L345 HydrophobicContact CB-CD1 3.82Å; L343-L345 HydrophobicContact CB-CG 3.7Å; L343-L345 HydrophobicContact CD1-CD1 3.88Å; L343-L345 PolarHBondContact O-N 2.98Å; L345-A352 HydrophobicContact CD2-CB 4.18Å; L345-A354 HydrophobicContact CD1-CB 4.07Å; L345-A354 HydrophobicContact CD2-CB 4.33Å; L345-T365 HydrophobicContact CD2-CG2 3.82Å
346	G	78.3	Confident	92.6	Very high	25 Å²	25	38.9 Å²	38.9	26%	0.258	25%	0.246	S	C	.	.	S	Bend	trans	96.2	-30.1	179.7	0	0	0	0	0	115.3	F348 G349	G346-F348 VanDerWaalsContact C-N 3.25Å; G346-F348 PolarHBondContact O-N 3.43Å; G346-F348 VanDerWaalsContact O-N 3.15Å; G346-G349 PolarHBondContact O-N 3.24Å; G346-G349 VanDerWaalsContact O-N 3.14Å
347	G	79.4	Confident	92.5	Very high	73 Å²	73	40.2 Å²	40.2	75%	0.753	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.2	-177.5	0	0	0	0	0	115.9
348	F	82.1	Confident	92.4	Very high	210 Å²	210	37.5 Å²	37.5	92%	0.921	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.3	7.2	179.1	-54.6	-78.9	0	0	0	113.1	G346	G346-F348 VanDerWaalsContact C-N 3.25Å; G346-F348 PolarHBondContact O-N 3.43Å; G346-F348 VanDerWaalsContact O-N 3.15Å
349	G	90.6	Very high	92.2	Very high	38 Å²	38	43.4 Å²	43.4	39%	0.392	25%	0.248	S	C	.	.			trans	87	-177	-172.4	0	0	0	0	0	113.9	G346	G346-G349 PolarHBondContact O-N 3.24Å; G346-G349 VanDerWaalsContact O-N 3.14Å
350	Y	94.6	Very high	92.1	Very high	76 Å²	76	50.5 Å²	50.5	30%	0.298	28%	0.279	S	S	.	.	S	Bend	trans	-117.5	150.7	-179.1	-49.7	-58.4	0	0	0	110	V295 A334 E340	V295-Y350 HydrophobicContact CB-CD1 4.05Å; V295-Y350 HydrophobicContact CB-CE1 4.31Å; V295-Y350 HydrophobicContact CG1-CD1 3.4Å; V295-Y350 VanDerWaalsContact CG1-CD1 3.4Å; V295-Y350 HydrophobicContact CG1-CE1 3.41Å; V295-Y350 VanDerWaalsContact CG1-CE1 3.41Å; V295-Y350 HydrophobicContact CG1-CG 4.28Å; A334-Y350 PolarHBondContact N-OH 3.18Å; E340-Y350 VanDerWaalsContact OE2-CE1 3.24Å; E340-Y350 WeakPolarHBondContact OE2-CE1 3.26Å; E340-Y350 PolarHBondContact OE2-OH 3.49Å
351	P	96.5	Very high	92	Very high	32 Å²	32	52 Å²	52	21%	0.208	29%	0.286	C	S	.	.	S	Bend	cis	-76.6	152.1	3.3	33.1	-39.9	0	0	0	114.1	V295 L296 Y310 F370	V295-P351 CarbonylContact O-C 3.46Å; V295-P351 WeakPolarHBondContact O-CA 3.42Å; L296-P351 HydrophobicContact CD2-CB 4.37Å; Y310-P351 HydrophobicContact CD1-CG 4.46Å; Y310-P351 HydrophobicContact CE1-CB 4.36Å; Y310-P351 HydrophobicContact CE1-CG 3.73Å; P351-F370 HydrophobicContact CB-CB 4.21Å; P351-F370 HydrophobicContact CB-CD1 3.76Å; P351-F370 HydrophobicContact CB-CD2 3.62Å; P351-F370 HydrophobicContact CB-CE1 3.97Å; P351-F370 HydrophobicContact CB-CE2 3.8Å; P351-F370 HydrophobicContact CB-CG 3.59Å; P351-F370 HydrophobicContact CB-CZ 3.99Å; P351-F370 HydrophobicContact CG-CB 3.51Å; P351-F370 HydrophobicContact CG-CD1 3.59Å; P351-F370 HydrophobicContact CG-CD2 3.92Å; P351-F370 HydrophobicContact CG-CE1 4.27Å; P351-F370 HydrophobicContact CG-CG 3.39Å
352	A	96.6	Very high	92	Very high	17 Å²	17	50.7 Å²	50.7	14%	0.14	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	156.1	175.5	0	0	0	0	0	110.9	S294 V295 L345	S294-A352 CarbonylContact C-O 3.54Å; S294-A352 WeakPolarHBondContact CA-O 3.4Å; V295-A352 HydrophobicContact CB-CB 4.45Å; V295-A352 PolarHBondContact N-O 3.41Å; V295-A352 PolarHBondContact O-N 3.02Å; L345-A352 HydrophobicContact CD2-CB 4.18Å
353	M	97.1	Very high	92.1	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	140.2	179.8	178.9	-175.2	-75	0	0	111.5	I292 I293 S294 L314 T365 L366 F370 I375 F378	I292-M353 HydrophobicContact CG2-CE 4.24Å; I292-M353 HydrophobicContact CG2-CG 4.11Å; I292-M353 HydrophobicContact CG2-SD 3.96Å; I293-M353 CarbonylContact O-C 3.57Å; I293-M353 WeakPolarHBondContact O-CA 3.38Å; S294-M353 WeakPolarHBondContact OG-CE 3.44Å; L314-M353 HydrophobicContact CD2-CE 3.52Å; M353-T365 WeakPolarHBondContact O-CG2 3.46Å; M353-L366 HydrophobicContact CB-CB 3.85Å; M353-L366 HydrophobicContact CB-CD2 3.98Å; M353-L366 HydrophobicContact CG-CB 4.46Å; M353-L366 PolarHBondContact O-N 2.89Å; M353-L366 HydrophobicContact SD-CD2 4.37Å; M353-F370 HydrophobicContact CB-CD2 4.25Å; M353-F370 HydrophobicContact CB-CE2 3.88Å; M353-F370 HydrophobicContact CE-CE2 4.1Å; M353-F370 HydrophobicContact CE-CZ 4.25Å; M353-I375 HydrophobicContact CE-CD1 3.74Å; M353-I375 HydrophobicContact CE-CG1 3.79Å; M353-I375 HydrophobicContact CE-CG2 3.94Å; M353-I375 HydrophobicContact SD-CG1 4.24Å; M353-I375 HydrophobicContact SD-CG2 4.24Å; M353-F378 HydrophobicContact CG-CE1 4.24Å; M353-F378 HydrophobicContact SD-CD1 3.95Å; M353-F378 HydrophobicContact SD-CE1 3.98Å
354	A	96.8	Very high	92.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	142.4	168.8	0	0	0	0	0	111.6	I293 L343 L345 V356 F363 S364	I293-A354 PolarHBondContact N-O 2.84Å; I293-A354 PolarHBondContact O-N 3.48Å; L343-A354 HydrophobicContact CD1-CB 4.32Å; L345-A354 HydrophobicContact CD1-CB 4.07Å; L345-A354 HydrophobicContact CD2-CB 4.33Å; A354-V356 HydrophobicContact CB-CG2 4.39Å; A354-F363 HydrophobicContact CB-CD2 4.35Å; A354-S364 CarbonylContact C-O 3.43Å; A354-S364 VanDerWaalsContact CA-O 3.26Å; A354-S364 WeakPolarHBondContact CA-O 3.37Å
355	A	97.3	Very high	92.3	Very high	3 Å²	3	51.4 Å²	51.4	3%	0.025	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.3	166.9	0	0	0	0	0	109.2	I292 F363 S364 F378 L382	I292-A355 HydrophobicContact CD1-CB 3.59Å; A355-F363 CarbonylContact O-C 3.45Å; A355-F363 WeakPolarHBondContact O-CA 3.38Å; A355-S364 PolarHBondContact N-O 2.95Å; A355-S364 PolarHBondContact O-N 2.82Å; A355-F378 HydrophobicContact CB-CE1 4.26Å; A355-F378 HydrophobicContact CB-CZ 4.05Å; A355-L382 HydrophobicContact CB-CD1 3.28Å; A355-L382 HydrophobicContact CB-CD2 4.48Å
356	V	96.2	Very high	92.5	Very high	2 Å²	2	51.6 Å²	51.6	1%	0.012	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.9	-169.7	-175.9	0	0	0	0	110.6	L290 C291 I293 L343 A354 T358 F363 M392	L290-V356 CarbonylContact C-O 3.57Å; L290-V356 WeakPolarHBondContact CA-O 3.33Å; C291-V356 HydrophobicContact CB-CB 4.46Å; C291-V356 PolarHBondContact N-O 3.38Å; C291-V356 PolarHBondContact O-N 2.78Å; I293-V356 HydrophobicContact CD1-CG2 3.89Å; I293-V356 HydrophobicContact CG1-CG2 4.28Å; L343-V356 HydrophobicContact CD1-CG2 4.01Å; L343-V356 HydrophobicContact CD2-CG1 4.49Å; L343-V356 HydrophobicContact CD2-CG2 3.63Å; A354-V356 HydrophobicContact CB-CG2 4.39Å; V356-T358 HydrophobicContact CG1-CG2 4.23Å; V356-F363 HydrophobicContact CG2-CB 4.1Å; V356-M392 HydrophobicContact CG1-CE 3.36Å
357	N	94.8	Very high	93.2	Very high	28 Å²	28	60 Å²	60	15%	0.15	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	99.8	164	-169.2	-67.6	0	0	0	108.7	Q289 L290 R359 K360 M361 K362	Q289-N357 PolarHBondContact O-ND2 2.89Å; L290-N357 HydrophobicContact CD2-CB 3.92Å; N357-R359 VanDerWaalsContact C-N 3.31Å; N357-R359 PolarHBondContact O-N 2.68Å; N357-R359 PolarHBondContact OD1-N 3.3Å; N357-K360 HydrophobicContact CB-CB 4.28Å; N357-K360 PolarHBondContact O-N 3.02Å; N357-K360 VanDerWaalsContact OD1-CB 3.3Å; N357-K360 WeakPolarHBondContact OD1-CB 3.4Å; N357-K360 WeakPolarHBondContact OD1-CG 3.47Å; N357-K360 PolarHBondContact OD1-N 3.27Å; N357-M361 PolarHBondContact O-N 3.29Å; N357-K362 PolarHBondContact N-O 2.77Å; N357-K362 PolarHBondContact O-N 3.48Å
358	T	91.1	Very high	93.8	Very high	19 Å²	19	59 Å²	59	12%	0.117	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-36.2	-176.2	54.6	0	0	0	0	112.3	G286 V356 M361 L397	G286-T358 WeakPolarHBondContact CA-OG1 3.21Å; V356-T358 HydrophobicContact CG1-CG2 4.23Å; T358-M361 PolarHBondContact O-N 3.24Å; T358-L397 HydrophobicContact CG2-CD2 3.95Å
359	R	90	Very high	94.3	Very high	182 Å²	182	52.7 Å²	52.7	69%	0.687	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-37.1	-179.8	-59	-177.7	-170	167.2	5.9	113	D287 N357	D287-R359 PolarHBondContact O-NH2 3.38Å; N357-R359 VanDerWaalsContact C-N 3.31Å; N357-R359 PolarHBondContact O-N 2.68Å; N357-R359 PolarHBondContact OD1-N 3.3Å
360	K	92.3	Very high	94.5	Very high	152 Å²	152	52.4 Å²	52.4	66%	0.661	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-4.5	179.3	-67	-178.8	178.7	178.5	0	112.9	N357 K362	N357-K360 HydrophobicContact CB-CB 4.28Å; N357-K360 PolarHBondContact O-N 3.02Å; N357-K360 VanDerWaalsContact OD1-CB 3.3Å; N357-K360 WeakPolarHBondContact OD1-CB 3.4Å; N357-K360 WeakPolarHBondContact OD1-CG 3.47Å; N357-K360 PolarHBondContact OD1-N 3.27Å; K360-K362 PolarHBondContact O-N 2.89Å
361	M	92.9	Very high	94.6	Very high	40 Å²	40	49.4 Å²	49.4	20%	0.197	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	49	45.7	-173.4	-65.6	-63.6	-73.5	0	0	112.1	N357 T358 M392 E396 L397	N357-M361 PolarHBondContact O-N 3.29Å; T358-M361 PolarHBondContact O-N 3.24Å; M361-M392 HydrophobicContact CE-CB 4.23Å; M361-M392 HydrophobicContact CE-CG 4.24Å; M361-M392 HydrophobicContact CE-SD 3.67Å; M361-M392 PolarHBondContact O-N 3.29Å; M361-M392 HydrophobicContact SD-SD 4.26Å; M361-E396 VanDerWaalsContact CE-C 3.47Å; M361-E396 VanDerWaalsContact CE-O 3.24Å; M361-E396 WeakPolarHBondContact CE-O 3.35Å; M361-L397 HydrophobicContact SD-CD2 4.03Å
362	K	94.6	Very high	94.5	Very high	99 Å²	99	52.8 Å²	52.8	43%	0.43	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	150.2	179.7	-73.2	-176.6	-177.1	-168.4	0	110.4	N357 K360 S390	N357-K362 PolarHBondContact N-O 2.77Å; N357-K362 PolarHBondContact O-N 3.48Å; K360-K362 PolarHBondContact O-N 2.89Å; K362-S390 VanDerWaalsContact CA-O 3.31Å; K362-S390 WeakPolarHBondContact CA-O 3.24Å
363	F	95.6	Very high	94.5	Very high	16 Å²	16	58.8 Å²	58.8	7%	0.07	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	162	174.1	68.6	-84.2	0	0	0	111.3	L343 A354 A355 V356 T365 T389 S390 P391 M392	L343-F363 HydrophobicContact CD2-CB 3.85Å; L343-F363 HydrophobicContact CD2-CD1 3.9Å; L343-F363 HydrophobicContact CD2-CD2 4.38Å; L343-F363 HydrophobicContact CD2-CG 3.79Å; L343-F363 WeakPolarHBondContact O-CE2 3.41Å; L343-F363 WeakPolarHBondContact O-CZ 3.5Å; A354-F363 HydrophobicContact CB-CD2 4.35Å; A355-F363 CarbonylContact O-C 3.45Å; A355-F363 WeakPolarHBondContact O-CA 3.38Å; V356-F363 HydrophobicContact CG2-CB 4.1Å; F363-T365 WeakPolarHBondContact CD2-OG1 3.37Å; F363-T365 VanDerWaalsContact CE2-OG1 3.26Å; F363-T365 WeakPolarHBondContact CE2-OG1 3.16Å; F363-T389 CarbonylContact O-C 3.49Å; F363-T389 VanDerWaalsContact O-CA 3.26Å; F363-T389 WeakPolarHBondContact O-CA 3.32Å; F363-S390 WeakPolarHBondContact CD1-O 3.27Å; F363-S390 PolarHBondContact N-O 3.22Å; F363-S390 PolarHBondContact O-N 3.1Å; F363-P391 WeakPolarHBondContact CE1-O 3.34Å; F363-M392 HydrophobicContact CD1-CB 4.29Å
364	S	95.9	Very high	94.5	Very high	8 Å²	8	59.3 Å²	59.3	6%	0.056	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.5	168.5	-177.9	0	0	0	0	107.6	A354 A355 F378 S388	A354-S364 CarbonylContact C-O 3.43Å; A354-S364 VanDerWaalsContact CA-O 3.26Å; A354-S364 WeakPolarHBondContact CA-O 3.37Å; A355-S364 PolarHBondContact N-O 2.95Å; A355-S364 PolarHBondContact O-N 2.82Å; S364-F378 WeakPolarHBondContact O-CZ 3.22Å; S364-F378 WeakPolarHBondContact OG-CE2 3.19Å; S364-S388 WeakPolarHBondContact CB-O 3.46Å; S364-S388 PolarHBondContact OG-O 3Å; S364-S388 VanDerWaalsContact OG-O 3.08Å
365	T	95.3	Very high	94.5	Very high	43 Å²	43	59.3 Å²	59.3	26%	0.264	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	139.2	-177.6	-52.1	0	0	0	0	110.1	L345 M353 F363 R367	L345-T365 HydrophobicContact CD2-CG2 3.82Å; M353-T365 WeakPolarHBondContact O-CG2 3.46Å; F363-T365 WeakPolarHBondContact CD2-OG1 3.37Å; F363-T365 VanDerWaalsContact CE2-OG1 3.26Å; F363-T365 WeakPolarHBondContact CE2-OG1 3.16Å; T365-R367 PolarHBondContact O-N 3.38Å
366	L	95.5	Very high	94.5	Very high	20 Å²	20	59.9 Å²	59.9	11%	0.105	30%	0.295	C	S	.	.			trans	-63.4	114.9	168.2	174	64.8	0	0	0	109.1	M353 F370 I375 F378	M353-L366 HydrophobicContact CB-CB 3.85Å; M353-L366 HydrophobicContact CB-CD2 3.98Å; M353-L366 HydrophobicContact CG-CB 4.46Å; M353-L366 PolarHBondContact O-N 2.89Å; M353-L366 HydrophobicContact SD-CD2 4.37Å; L366-F370 HydrophobicContact CD2-CB 4.44Å; L366-F370 HydrophobicContact CD2-CD2 4.02Å; L366-I375 HydrophobicContact CD2-CG1 3.92Å; L366-F378 HydrophobicContact CB-CD1 4.06Å; L366-F378 HydrophobicContact CB-CE1 4.18Å; L366-F378 HydrophobicContact CB-CG 4.23Å; L366-F378 HydrophobicContact CB-CZ 4.47Å; L366-F378 HydrophobicContact CD1-CB 3.44Å; L366-F378 VanDerWaalsContact CD1-CB 3.44Å; L366-F378 HydrophobicContact CD1-CD1 4.09Å; L366-F378 HydrophobicContact CD1-CD2 4.37Å; L366-F378 HydrophobicContact CD1-CG 3.73Å
367	R	91.8	Very high	94.5	Very high	201 Å²	201	63.2 Å²	63.2	76%	0.758	31%	0.31	S	S	*	.			trans	-97.2	-13.9	176.1	-61.7	-175.4	-176.7	179.9	1.7	113.6	T365	T365-R367 PolarHBondContact O-N 3.38Å
368	G	91.6	Very high	94.6	Very high	51 Å²	51	62.5 Å²	62.5	53%	0.526	31%	0.306	S	S	.	.	S	Bend	trans	-84.6	-167.6	177.9	0	0	0	0	0	112.5
369	S	93.6	Very high	94.8	Very high	78 Å²	78	61.6 Å²	61.6	55%	0.545	30%	0.3	S	S	.	.			trans	-66.9	140.6	174.9	53.8	0	0	0	0	111.6	G371 G374	S369-G371 PolarHBondContact O-N 3.38Å; S369-G374 WeakPolarHBondContact O-CA 3.34Å
370	F	95.2	Very high	95.1	Very high	32 Å²	32	58 Å²	58	14%	0.14	29%	0.287	C	S	.	.	S	Bend	trans	-78.7	80.1	167.2	-160.8	-75.3	0	0	0	109.1	L296 Y310 L314 P351 M353 L366 I375	L296-F370 HydrophobicContact CD2-CE1 4.23Å; L296-F370 HydrophobicContact CD2-CZ 3.82Å; Y310-F370 AromaticContact CD1-CD1 3.74Å; Y310-F370 HydrophobicContact CD1-CD1 3.74Å; Y310-F370 AromaticContact CD1-CE1 3.61Å; Y310-F370 HydrophobicContact CD1-CE1 3.61Å; Y310-F370 AromaticContact CE1-CD1 3.85Å; Y310-F370 HydrophobicContact CE1-CD1 3.85Å; Y310-F370 HydrophobicContact CE1-CE1 4.18Å; Y310-F370 HydrophobicContact CG-CE1 4.36Å; L314-F370 HydrophobicContact CD2-CZ 4.1Å; P351-F370 HydrophobicContact CB-CB 4.21Å; P351-F370 HydrophobicContact CB-CD1 3.76Å; P351-F370 HydrophobicContact CB-CD2 3.62Å; P351-F370 HydrophobicContact CB-CE1 3.97Å; P351-F370 HydrophobicContact CB-CE2 3.8Å; P351-F370 HydrophobicContact CB-CG 3.59Å; P351-F370 HydrophobicContact CB-CZ 3.99Å; P351-F370 HydrophobicContact CG-CB 3.51Å; P351-F370 HydrophobicContact CG-CD1 3.59Å; P351-F370 HydrophobicContact CG-CD2 3.92Å; P351-F370 HydrophobicContact CG-CE1 4.27Å; P351-F370 HydrophobicContact CG-CG 3.39Å; M353-F370 HydrophobicContact CB-CD2 4.25Å; M353-F370 HydrophobicContact CB-CE2 3.88Å; M353-F370 HydrophobicContact CE-CE2 4.1Å; M353-F370 HydrophobicContact CE-CZ 4.25Å; L366-F370 HydrophobicContact CD2-CB 4.44Å; L366-F370 HydrophobicContact CD2-CD2 4.02Å; F370-I375 HydrophobicContact CD1-CD1 4.02Å; F370-I375 HydrophobicContact CE1-CD1 3.98Å; F370-I375 HydrophobicContact CG-CD1 4.32Å; F370-I375 HydrophobicContact CZ-CD1 4.26Å
371	G	95.6	Very high	95.2	Very high	14 Å²	14	54.7 Å²	54.7	14%	0.144	27%	0.274	C	S	.	.	S	Bend	trans	-156.9	175.1	178.9	0	0	0	0	0	110.1	S369 E373 G374 I375	S369-G371 PolarHBondContact O-N 3.38Å; G371-E373 VanDerWaalsContact C-N 3.29Å; G371-E373 PolarHBondContact O-N 3.2Å; G371-G374 PolarHBondContact O-N 3.02Å; G371-I375 WeakPolarHBondContact O-CB 3.41Å; G371-I375 WeakPolarHBondContact O-CG1 3.41Å; G371-I375 PolarHBondContact O-N 3.17Å
372	K	95	Very high	95.3	Very high	103 Å²	103	54 Å²	54	45%	0.448	27%	0.271	S	S	.	.	H	α-helix	trans	-52.6	-46.1	-174.3	-177.2	171.7	-177.4	154.8	0	112.7	T376	K372-T376 WeakPolarHBondContact O-CB 3.45Å; K372-T376 PolarHBondContact O-N 3.37Å; K372-T376 PolarHBondContact O-OG1 2.88Å
373	E	96	Very high	95.1	Very high	142 Å²	142	51.2 Å²	51.2	66%	0.664	26%	0.264	S	S	*	.	H	α-helix	trans	-69.9	-49.5	-178.2	-64.4	67.4	-145.8	0	0	111.4	G371 T376 E377	G371-E373 VanDerWaalsContact C-N 3.29Å; G371-E373 PolarHBondContact O-N 3.2Å; E373-T376 PolarHBondContact O-N 3.35Å; E373-E377 WeakPolarHBondContact O-CB 3.43Å; E373-E377 PolarHBondContact O-N 2.74Å
374	G	96.7	Very high	94.9	Very high	12 Å²	12	58.5 Å²	58.5	12%	0.124	29%	0.292	C	S	.	.	H	α-helix	trans	-65.6	-42.2	-177.5	0	0	0	0	0	112.9	S369 G371 E377 F378	S369-G374 WeakPolarHBondContact O-CA 3.34Å; G371-G374 PolarHBondContact O-N 3.02Å; G374-E377 PolarHBondContact O-N 3.46Å; G374-F378 WeakPolarHBondContact O-CB 3.49Å; G374-F378 PolarHBondContact O-N 2.98Å
375	I	97.6	Very high	94.5	Very high	1 Å²	1	61.6 Å²	61.6	1%	0.005	33%	0.326	C	S	.	.	H	α-helix	trans	-65.5	-44.5	174.1	-68.2	166.8	0	0	0	110.2	I313 A317 M353 L366 F370 G371 E377 F378 L379	I313-I375 HydrophobicContact CG2-CD1 3.6Å; A317-I375 HydrophobicContact CB-CG2 3.79Å; M353-I375 HydrophobicContact CE-CD1 3.74Å; M353-I375 HydrophobicContact CE-CG1 3.79Å; M353-I375 HydrophobicContact CE-CG2 3.94Å; M353-I375 HydrophobicContact SD-CG1 4.24Å; M353-I375 HydrophobicContact SD-CG2 4.24Å; L366-I375 HydrophobicContact CD2-CG1 3.92Å; F370-I375 HydrophobicContact CD1-CD1 4.02Å; F370-I375 HydrophobicContact CE1-CD1 3.98Å; F370-I375 HydrophobicContact CG-CD1 4.32Å; F370-I375 HydrophobicContact CZ-CD1 4.26Å; G371-I375 WeakPolarHBondContact O-CB 3.41Å; G371-I375 WeakPolarHBondContact O-CG1 3.41Å; G371-I375 PolarHBondContact O-N 3.17Å; I375-E377 VanDerWaalsContact C-N 3.33Å; I375-E377 PolarHBondContact O-N 3.07Å; I375-F378 PolarHBondContact O-N 3.14Å; I375-L379 HydrophobicContact CG2-CD1 3.61Å; I375-L379 HydrophobicContact CG2-CG 4.08Å; I375-L379 WeakPolarHBondContact O-CB 3.34Å; I375-L379 VanDerWaalsContact O-CG 3.23Å; I375-L379 WeakPolarHBondContact O-CG 3.34Å; I375-L379 PolarHBondContact O-N 2.96Å
376	T	96.6	Very high	94	Very high	15 Å²	15	68.2 Å²	68.2	9%	0.092	35%	0.346	C	S	.	.	H	α-helix	trans	-58.2	-46.1	177.2	-67.3	0	0	0	0	111.5	R320 F321 K372 E373 R380	R320-T376 PolarHBondContact NH1-OG1 3.48Å; F321-T376 HydrophobicContact CZ-CG2 4.42Å; F321-T376 WeakPolarHBondContact CZ-O 3.5Å; K372-T376 WeakPolarHBondContact O-CB 3.45Å; K372-T376 PolarHBondContact O-N 3.37Å; K372-T376 PolarHBondContact O-OG1 2.88Å; E373-T376 PolarHBondContact O-N 3.35Å; T376-R380 WeakPolarHBondContact O-CB 3.47Å; T376-R380 PolarHBondContact O-N 2.93Å
377	E	96	Very high	93.1	Very high	72 Å²	72	69.1 Å²	69.1	34%	0.336	36%	0.359	S	S	.	.	H	α-helix	trans	-61.6	-50.7	179.9	-173.6	59.1	-136.9	0	0	111	E373 G374 I375 L379 R380 E381	E373-E377 WeakPolarHBondContact O-CB 3.43Å; E373-E377 PolarHBondContact O-N 2.74Å; G374-E377 PolarHBondContact O-N 3.46Å; I375-E377 VanDerWaalsContact C-N 3.33Å; I375-E377 PolarHBondContact O-N 3.07Å; E377-L379 PolarHBondContact O-N 2.87Å; E377-R380 WeakPolarHBondContact O-CB 3.44Å; E377-R380 PolarHBondContact O-N 3.43Å; E377-R380 IonicContact OE1-CZ 3.43Å; E377-R380 IonicContact OE1-NE 2.65Å; E377-R380 IonicContact OE1-NH2 3.22Å; E377-R380 PolarHBondContact OE1-NH2 2.75Å; E377-R380 IonicContact OE2-CZ 3.78Å; E377-R380 IonicContact OE2-NE 3.57Å; E377-R380 IonicContact OE2-NH1 2.63Å; E377-R380 PolarHBondContact OE2-NH1 2.86Å; E377-R380 IonicContact OE2-NH2 3.35Å; E377-R380 PolarHBondContact OE2-NH2 3.23Å; E377-E381 PolarHBondContact O-N 3.23Å
378	F	97.1	Very high	92.9	Very high	13 Å²	13	63 Å²	63	6%	0.057	35%	0.347	C	S	.	.	H	α-helix	trans	-57.4	-49.9	179.6	171.5	-117.4	0	0	0	112.7	M353 A355 S364 L366 G374 I375 R380 E381 L382	M353-F378 HydrophobicContact CG-CE1 4.24Å; M353-F378 HydrophobicContact SD-CD1 3.95Å; M353-F378 HydrophobicContact SD-CE1 3.98Å; A355-F378 HydrophobicContact CB-CE1 4.26Å; A355-F378 HydrophobicContact CB-CZ 4.05Å; S364-F378 WeakPolarHBondContact O-CZ 3.22Å; S364-F378 WeakPolarHBondContact OG-CE2 3.19Å; L366-F378 HydrophobicContact CB-CD1 4.06Å; L366-F378 HydrophobicContact CB-CE1 4.18Å; L366-F378 HydrophobicContact CB-CG 4.23Å; L366-F378 HydrophobicContact CB-CZ 4.47Å; L366-F378 HydrophobicContact CD1-CB 3.44Å; L366-F378 VanDerWaalsContact CD1-CB 3.44Å; L366-F378 HydrophobicContact CD1-CD1 4.09Å; L366-F378 HydrophobicContact CD1-CD2 4.37Å; L366-F378 HydrophobicContact CD1-CG 3.73Å; G374-F378 WeakPolarHBondContact O-CB 3.49Å; G374-F378 PolarHBondContact O-N 2.98Å; I375-F378 PolarHBondContact O-N 3.14Å; F378-R380 VanDerWaalsContact C-N 3.3Å; F378-R380 PolarHBondContact O-N 3.15Å; F378-E381 PolarHBondContact O-N 3.22Å; F378-L382 HydrophobicContact CD1-CD1 4.28Å; F378-L382 HydrophobicContact CE1-CD1 3.79Å; F378-L382 HydrophobicContact CE2-CD1 4.05Å; F378-L382 HydrophobicContact CE2-CG 4.35Å; F378-L382 HydrophobicContact CZ-CD1 3.66Å; F378-L382 HydrophobicContact CZ-CG 4.44Å; F378-L382 WeakPolarHBondContact O-CG 3.08Å; F378-L382 PolarHBondContact O-N 2.96Å; F378-L382 VanDerWaalsContact O-N 3.15Å
379	L	96.7	Very high	92.9	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-66.7	-33.4	179	-66.4	-177.6	0	0	0	112.1	I292 A317 F321 W326 W328 I375 E377 L382 S383	I292-L379 HydrophobicContact CD1-CD2 3.8Å; I292-L379 HydrophobicContact CG1-CD2 4.26Å; I292-L379 HydrophobicContact CG2-CD2 4.43Å; A317-L379 HydrophobicContact CB-CD1 4.08Å; F321-L379 HydrophobicContact CD1-CB 4.17Å; F321-L379 HydrophobicContact CD2-CB 3.86Å; F321-L379 HydrophobicContact CD2-CD1 3.67Å; F321-L379 HydrophobicContact CD2-CG 4.46Å; F321-L379 HydrophobicContact CE1-CB 3.87Å; F321-L379 HydrophobicContact CE2-CB 3.55Å; F321-L379 HydrophobicContact CE2-CD1 3.9Å; F321-L379 HydrophobicContact CE2-CG 4.39Å; F321-L379 HydrophobicContact CG-CB 4.17Å; F321-L379 HydrophobicContact CG-CD1 4.33Å; F321-L379 HydrophobicContact CZ-CB 3.55Å; W326-L379 HydrophobicContact CE3-CD2 4.33Å; W326-L379 WeakPolarHBondContact CH2-O 3.46Å; W326-L379 HydrophobicContact CZ3-CB 3.99Å; W326-L379 HydrophobicContact CZ3-CD2 3.83Å; W326-L379 HydrophobicContact CZ3-CG 4.34Å; W328-L379 HydrophobicContact CH2-CD1 3.42Å; W328-L379 VanDerWaalsContact CH2-CD1 3.42Å; W328-L379 HydrophobicContact CZ2-CD1 4.2Å; W328-L379 HydrophobicContact CZ3-CD1 4.23Å; I375-L379 HydrophobicContact CG2-CD1 3.61Å; I375-L379 HydrophobicContact CG2-CG 4.08Å; I375-L379 WeakPolarHBondContact O-CB 3.34Å; I375-L379 VanDerWaalsContact O-CG 3.23Å; I375-L379 WeakPolarHBondContact O-CG 3.34Å; I375-L379 PolarHBondContact O-N 2.96Å; E377-L379 PolarHBondContact O-N 2.87Å; L379-L382 HydrophobicContact CD2-CD1 4.14Å; L379-L382 PolarHBondContact O-N 3.18Å; L379-S383 PolarHBondContact O-N 3.49Å
380	R	94.9	Very high	92.9	Very high	106 Å²	106	62.9 Å²	62.9	40%	0.4	34%	0.335	S	S	.	.	H	α-helix	trans	-65.1	-41.4	173.3	-176.1	-178.1	75.2	-165.6	9.2	111.8	F321 T376 E377 F378 L382 S383 Y384	F321-R380 HydrophobicContact CE1-CB 4.31Å; F321-R380 HydrophobicContact CZ-CB 4.18Å; T376-R380 WeakPolarHBondContact O-CB 3.47Å; T376-R380 PolarHBondContact O-N 2.93Å; E377-R380 WeakPolarHBondContact O-CB 3.44Å; E377-R380 PolarHBondContact O-N 3.43Å; E377-R380 IonicContact OE1-CZ 3.43Å; E377-R380 IonicContact OE1-NE 2.65Å; E377-R380 IonicContact OE1-NH2 3.22Å; E377-R380 PolarHBondContact OE1-NH2 2.75Å; E377-R380 IonicContact OE2-CZ 3.78Å; E377-R380 IonicContact OE2-NE 3.57Å; E377-R380 IonicContact OE2-NH1 2.63Å; E377-R380 PolarHBondContact OE2-NH1 2.86Å; E377-R380 IonicContact OE2-NH2 3.35Å; E377-R380 PolarHBondContact OE2-NH2 3.23Å; F378-R380 VanDerWaalsContact C-N 3.3Å; F378-R380 PolarHBondContact O-N 3.15Å; R380-L382 VanDerWaalsContact C-N 3.32Å; R380-L382 PolarHBondContact O-N 2.93Å; R380-S383 PolarHBondContact O-N 3.33Å; R380-S383 PolarHBondContact O-OG 3.47Å; R380-Y384 HydrophobicContact CG-CD2 4.06Å; R380-Y384 HydrophobicContact CG-CE2 3.52Å; R380-Y384 WeakPolarHBondContact O-CD2 3.27Å; R380-Y384 PolarHBondContact O-N 3.13Å
381	E	94.7	Very high	92.9	Very high	83 Å²	83	66 Å²	66	39%	0.388	36%	0.359	S	S	.	.	H	α-helix	trans	-60.5	-44.7	175	-69.6	-172.3	156.3	0	0	111.5	E377 F378 S383 Y384 G385 R386	E377-E381 PolarHBondContact O-N 3.23Å; F378-E381 PolarHBondContact O-N 3.22Å; E381-S383 VanDerWaalsContact C-N 3.31Å; E381-S383 PolarHBondContact O-N 3.44Å; E381-Y384 PolarHBondContact O-N 3.09Å; E381-G385 PolarHBondContact O-N 3.26Å; E381-R386 CarbonylContact C-O 3.52Å; E381-R386 HydrophobicContact CB-CB 4.24Å; E381-R386 WeakPolarHBondContact O-CA 3.49Å; E381-R386 WeakPolarHBondContact O-CB 3.39Å; E381-R386 PolarHBondContact O-N 2.65Å
382	L	94.6	Very high	92.8	Very high	25 Å²	25	66 Å²	66	13%	0.131	36%	0.355	C	S	.	.	H	α-helix	trans	-61.3	-38.3	177.5	-67.2	174.2	0	0	0	112.6	L290 W326 A355 F378 L379 R380 Y384 G385	L290-L382 HydrophobicContact CD1-CB 4.48Å; W326-L382 HydrophobicContact CH2-CB 3.96Å; W326-L382 HydrophobicContact CZ2-CB 4.3Å; A355-L382 HydrophobicContact CB-CD1 3.28Å; A355-L382 HydrophobicContact CB-CD2 4.48Å; F378-L382 HydrophobicContact CD1-CD1 4.28Å; F378-L382 HydrophobicContact CE1-CD1 3.79Å; F378-L382 HydrophobicContact CE2-CD1 4.05Å; F378-L382 HydrophobicContact CE2-CG 4.35Å; F378-L382 HydrophobicContact CZ-CD1 3.66Å; F378-L382 HydrophobicContact CZ-CG 4.44Å; F378-L382 WeakPolarHBondContact O-CG 3.08Å; F378-L382 PolarHBondContact O-N 2.96Å; F378-L382 VanDerWaalsContact O-N 3.15Å; L379-L382 HydrophobicContact CD2-CD1 4.14Å; L379-L382 PolarHBondContact O-N 3.18Å; R380-L382 VanDerWaalsContact C-N 3.32Å; R380-L382 PolarHBondContact O-N 2.93Å; L382-Y384 PolarHBondContact O-N 3.23Å; L382-G385 PolarHBondContact O-N 3.05Å
383	S	91.4	Very high	92.5	Very high	41 Å²	41	67.3 Å²	67.3	29%	0.287	36%	0.361	S	S	.	.	H	α-helix	trans	-65.1	-27.1	179.4	77.2	0	0	0	0	112.8	N324 L379 R380 E381 G385	N324-S383 WeakPolarHBondContact ND2-CB 3.15Å; L379-S383 PolarHBondContact O-N 3.49Å; R380-S383 PolarHBondContact O-N 3.33Å; R380-S383 PolarHBondContact O-OG 3.47Å; E381-S383 VanDerWaalsContact C-N 3.31Å; E381-S383 PolarHBondContact O-N 3.44Å; S383-G385 VanDerWaalsContact C-N 3.34Å
384	Y	90.3	Very high	91.9	Very high	168 Å²	168	63.4 Å²	63.4	66%	0.659	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	8.5	172.6	-60.6	-58.5	0	0	0	113.7	R380 E381 L382 R386	R380-Y384 HydrophobicContact CG-CD2 4.06Å; R380-Y384 HydrophobicContact CG-CE2 3.52Å; R380-Y384 WeakPolarHBondContact O-CD2 3.27Å; R380-Y384 PolarHBondContact O-N 3.13Å; E381-Y384 PolarHBondContact O-N 3.09Å; L382-Y384 PolarHBondContact O-N 3.23Å; Y384-R386 PolarHBondContact O-N 3.07Å
385	G	87.3	Confident	91.1	Very high	74 Å²	74	69.3 Å²	69.3	76%	0.763	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	22.3	-177.5	0	0	0	0	0	113.6	E381 L382 S383	E381-G385 PolarHBondContact O-N 3.26Å; L382-G385 PolarHBondContact O-N 3.05Å; S383-G385 VanDerWaalsContact C-N 3.34Å
386	R	84.8	Confident	90.6	Very high	182 Å²	182	76.4 Å²	76.4	69%	0.687	43%	0.426	S	S	*	.			trans	-97.3	164.6	173.5	-62.7	-174.8	177.7	179.9	0	109.9	E381 Y384	E381-R386 CarbonylContact C-O 3.52Å; E381-R386 HydrophobicContact CB-CB 4.24Å; E381-R386 WeakPolarHBondContact O-CA 3.49Å; E381-R386 WeakPolarHBondContact O-CB 3.39Å; E381-R386 PolarHBondContact O-N 2.65Å; Y384-R386 PolarHBondContact O-N 3.07Å
387	G	77.6	Confident	90.4	Very high	38 Å²	38	78.4 Å²	78.4	39%	0.392	44%	0.436	S	S	.	.	S	Bend	trans	116.4	143.9	-179.2	0	0	0	0	0	112.5
388	S	86.9	Confident	90.2	Very high	72 Å²	72	75.6 Å²	75.6	50%	0.503	42%	0.424	S	S	.	.			trans	-73.9	128.2	175.4	-174.8	0	0	0	0	109.2	S364	S364-S388 WeakPolarHBondContact CB-O 3.46Å; S364-S388 PolarHBondContact OG-O 3Å; S364-S388 VanDerWaalsContact OG-O 3.08Å
389	T	93	Very high	90.1	Very high	79 Å²	79	83 Å²	83	49%	0.485	46%	0.456	S	S	.	.			trans	-109.2	144.1	176.2	58.2	0	0	0	0	110.9	F363	F363-T389 CarbonylContact O-C 3.49Å; F363-T389 VanDerWaalsContact O-CA 3.26Å; F363-T389 WeakPolarHBondContact O-CA 3.32Å
390	S	93.6	Very high	90.1	Very high	48 Å²	48	83.7 Å²	83.7	34%	0.336	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145.2	174.7	-66	0	0	0	0	109.6	K362 F363	K362-S390 VanDerWaalsContact CA-O 3.31Å; K362-S390 WeakPolarHBondContact CA-O 3.24Å; F363-S390 WeakPolarHBondContact CD1-O 3.27Å; F363-S390 PolarHBondContact N-O 3.22Å; F363-S390 PolarHBondContact O-N 3.1Å
391	P	94.5	Very high	90.2	Very high	99 Å²	99	82.2 Å²	82.2	64%	0.643	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.7	138.5	170	29.4	-32.9	0	0	0	109.6	F363	F363-P391 WeakPolarHBondContact CE1-O 3.34Å
392	M	92.7	Very high	90.3	Very high	12 Å²	12	83.4 Å²	83.4	6%	0.059	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-66.6	141.5	169.6	-170.5	178.8	-60.4	0	0	109.4	A342 L343 V356 M361 F363	A342-M392 HydrophobicContact CB-CG 3.87Å; A342-M392 HydrophobicContact CB-SD 4.35Å; A342-M392 WeakPolarHBondContact O-CG 3.48Å; L343-M392 HydrophobicContact CD2-CE 3.73Å; V356-M392 HydrophobicContact CG1-CE 3.36Å; M361-M392 HydrophobicContact CE-CB 4.23Å; M361-M392 HydrophobicContact CE-CG 4.24Å; M361-M392 HydrophobicContact CE-SD 3.67Å; M361-M392 PolarHBondContact O-N 3.29Å; M361-M392 HydrophobicContact SD-SD 4.26Å; F363-M392 HydrophobicContact CD1-CB 4.29Å
393	K	89.1	Confident	90.3	Very high	131 Å²	131	84.4 Å²	84.4	57%	0.57	48%	0.482	S	S	*	.	S	Bend	trans	-72.6	135.6	174	-59.2	-179.3	-176.8	167.5	0	110	E341 A342	E341-K393 HydrophobicContact CG-CD 4.45Å; A342-K393 PolarHBondContact O-N 2.04Å; A342-K393 VanDerWaalsContact O-N 3.16Å
394	G	83.6	Confident	90.4	Very high	60 Å²	60	90.6 Å²	90.6	62%	0.619	51%	0.507	S	S	*	.	S	Bend	trans	99.6	165.3	-178.3	0	0	0	0	0	113.5
395	T	80.3	Confident	90.6	Very high	137 Å²	137	85.8 Å²	85.8	84%	0.84	50%	0.496	S	S	*	.	S	Bend	trans	-94.9	-13.2	179.1	50.6	0	0	0	0	113.2
396	E	87.7	Confident	91	Very high	149 Å²	149	84.7 Å²	84.7	70%	0.696	47%	0.469	S	S	*	.	S	Bend	trans	-130.5	163.6	-177.1	-63.4	-178.5	179.9	0	0	109.5	M361	M361-E396 VanDerWaalsContact CE-C 3.47Å; M361-E396 VanDerWaalsContact CE-O 3.24Å; M361-E396 WeakPolarHBondContact CE-O 3.35Å
397	L	90.7	Very high	91.4	Very high	57 Å²	57	80.8 Å²	80.8	30%	0.298	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-58.5	142.9	173.2	-69.8	173.2	0	0	0	110.3	T358 M361	T358-L397 HydrophobicContact CG2-CD2 3.95Å; M361-L397 HydrophobicContact SD-CD2 4.03Å
398	P	93.7	Very high	92.1	Very high	14 Å²	14	80.8 Å²	80.8	9%	0.091	46%	0.461	C	S	.	.	P	Polyproline II helix	trans	-61.3	143.9	178.8	25.6	-33.6	0	0	0	110.5	Q279 L282 L339 A342	Q279-P398 PolarHBondContact NE2-O 2.88Å; Q279-P398 PolarHBondContact OE1-O 2.83Å; L282-P398 HydrophobicContact CD2-CG 4.19Å; L339-P398 HydrophobicContact CB-CB 4.42Å; L339-P398 HydrophobicContact CB-CG 4.21Å; L339-P398 HydrophobicContact CD1-CG 3.55Å; A342-P398 HydrophobicContact CB-CB 4.09Å; A342-P398 HydrophobicContact CB-CG 4.17Å
399	K	94.5	Very high	92.5	Very high	168 Å²	168	83.7 Å²	83.7	73%	0.73	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-70.8	130.3	173.6	-68	-175.1	179.7	-179.6	0	109.4
400	I	97	Very high	92.5	Very high	14 Å²	14	84.2 Å²	84.2	7%	0.072	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-100.8	124.9	178.7	-58.7	-52.3	0	0	0	109.3	L276 N278 Q279 L282 L339	L276-I400 HydrophobicContact CD1-CG1 4.4Å; L276-I400 HydrophobicContact CD1-CG2 4.02Å; L276-I400 HydrophobicContact CD2-CD1 3.91Å; L276-I400 HydrophobicContact CD2-CG1 4.37Å; L276-I400 HydrophobicContact CD2-CG2 4.49Å; L276-I400 HydrophobicContact CG-CG2 4.02Å; N278-I400 VanDerWaalsContact C-CG2 3.45Å; Q279-I400 HydrophobicContact CB-CB 4.47Å; L282-I400 HydrophobicContact CB-CG1 4.1Å; L282-I400 HydrophobicContact CD2-CD1 3.89Å; L282-I400 HydrophobicContact CD2-CG1 3.7Å; L339-I400 HydrophobicContact CB-CD1 3.92Å; L339-I400 HydrophobicContact CD1-CD1 4.49Å; L339-I400 HydrophobicContact CD2-CD1 4.16Å; L339-I400 HydrophobicContact CG-CD1 4.43Å
401	V	96.1	Very high	92.3	Very high	76 Å²	76	82.7 Å²	82.7	46%	0.461	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-67.1	134	171.7	-178	0	0	0	0	108.2	Q336 V403	Q336-V401 PolarHBondContact NE2-O 2.97Å; V401-V403 HydrophobicContact CG1-CG1 4.27Å; V401-V403 PolarHBondContact O-N 2.55Å
402	T	96.5	Very high	91.9	Very high	107 Å²	107	86.2 Å²	86.2	66%	0.656	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-78	124.6	174.1	-58.4	0	0	0	0	109.1	I277 N278	I277-T402 VanDerWaalsContact O-CA 3.27Å; I277-T402 WeakPolarHBondContact O-CA 3.24Å; N278-T402 HydrophobicContact CB-CG2 4.41Å
403	V	94.3	Very high	91.4	Very high	46 Å²	46	93.4 Å²	93.4	28%	0.279	49%	0.492	S	S	.	.			trans	-125.5	154.5	-179.8	-62.7	0	0	0	0	110.3	I277 V401	I277-V403 HydrophobicContact CB-CG2 4.15Å; I277-V403 HydrophobicContact CG2-CG2 4.24Å; I277-V403 PolarHBondContact O-N 2.81Å; V401-V403 HydrophobicContact CG1-CG1 4.27Å; V401-V403 PolarHBondContact O-N 2.55Å
404	E	93.5	Very high	90.8	Very high	171 Å²	171	92.2 Å²	92.2	80%	0.799	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-69.5	138.2	172	-68.6	-58.3	140.3	0	0	109.9
405	P	94.9	Very high	90.3	Very high	68 Å²	68	98.3 Å²	98.3	44%	0.442	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-59.3	143.4	176.2	-19.7	30.6	0	0	0	111.5	E275 I277 D407	E275-P405 WeakPolarHBondContact OE2-CA 3.46Å; I277-P405 HydrophobicContact CD1-CG 3.97Å; I277-P405 HydrophobicContact CG2-CB 4.39Å; I277-P405 HydrophobicContact CG2-CG 4.39Å; P405-D407 PolarHBondContact O-N 2.95Å
406	W	95.2	Very high	89.6	Confident	51 Å²	51	100.6 Å²	100.6	19%	0.193	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-59.4	128.9	174.8	177.5	48.7	0	0	0	110.9	E275 I299 R307 I311 W330 G408 K409	E275-W406 PolarHBondContact OE2-N 3.47Å; I299-W406 HydrophobicContact CD1-CZ2 4Å; R307-W406 HydrophobicContact CB-CH2 4.1Å; R307-W406 HydrophobicContact CB-CZ2 4.49Å; R307-W406 HydrophobicContact CB-CZ3 4.49Å; R307-W406 HydrophobicContact CG-CE3 4.19Å; R307-W406 HydrophobicContact CG-CH2 3.84Å; R307-W406 HydrophobicContact CG-CZ2 4.38Å; R307-W406 HydrophobicContact CG-CZ3 3.74Å; I311-W406 HydrophobicContact CD1-CE3 4.49Å; I311-W406 HydrophobicContact CD1-CZ3 4.04Å; W330-W406 HydrophobicContact CH2-CB 4.11Å; W330-W406 HydrophobicContact CH2-CE3 4.2Å; W330-W406 HydrophobicContact CZ2-CE3 4.36Å; W406-G408 VanDerWaalsContact CE2-CA 3.47Å; W406-G408 PolarHBondContact O-N 3.19Å; W406-K409 PolarHBondContact NE1-O 3.38Å
407	D	93.2	Very high	88.4	Confident	100 Å²	100	102 Å²	102	54%	0.535	52%	0.515	S	S	.	.			trans	-79.2	0.7	-174.3	79.2	-23.4	0	0	0	113.9	P405 K409	P405-D407 PolarHBondContact O-N 2.95Å; D407-K409 WeakPolarHBondContact OD1-CB 3.1Å; D407-K409 PolarHBondContact OD1-N 2.75Å; D407-K409 VanDerWaalsContact OD2-CD 3.24Å; D407-K409 WeakPolarHBondContact OD2-CD 3.14Å; D407-K409 WeakPolarHBondContact OD2-CE 3.44Å; D407-K409 WeakPolarHBondContact OD2-CG 3.2Å; D407-K409 IonicContact OD2-NZ 2.75Å; D407-K409 PolarHBondContact OD2-NZ 3.33Å
408	G	93.8	Very high	86.9	Confident	37 Å²	37	106.8 Å²	106.8	38%	0.381	54%	0.541	S	S	.	.	S	Bend	trans	83.6	4.4	-179.1	0	0	0	0	0	114.7	W406	W406-G408 VanDerWaalsContact CE2-CA 3.47Å; W406-G408 PolarHBondContact O-N 3.19Å
409	K	93.8	Very high	85.3	Confident	133 Å²	133	112.8 Å²	112.8	58%	0.578	57%	0.571	S	S	*	*	S	Bend	trans	-104	169.5	-176.8	-57.1	-176.3	-158.8	133.9	0	113.2	W406 D407	W406-K409 PolarHBondContact NE1-O 3.38Å; D407-K409 WeakPolarHBondContact OD1-CB 3.1Å; D407-K409 PolarHBondContact OD1-N 2.75Å; D407-K409 VanDerWaalsContact OD2-CD 3.24Å; D407-K409 WeakPolarHBondContact OD2-CD 3.14Å; D407-K409 WeakPolarHBondContact OD2-CE 3.44Å; D407-K409 WeakPolarHBondContact OD2-CG 3.2Å; D407-K409 IonicContact OD2-NZ 2.75Å; D407-K409 PolarHBondContact OD2-NZ 3.33Å
410	D	94	Very high	83.9	Confident	91 Å²	91	110.1 Å²	110.1	49%	0.487	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-61.7	150.4	171.1	-76	-14.7	0	0	0	111	S304	S304-D410 WeakPolarHBondContact CB-OD1 3.3Å; S304-D410 PolarHBondContact N-OD1 3.49Å; S304-D410 PolarHBondContact OG-OD1 2.95Å
411	G	88.3	Confident	82.4	Confident	16 Å²	16	115.2 Å²	115.2	17%	0.165	59%	0.591	C	S	.	*	P	Polyproline II helix	trans	-77.1	129.7	176.6	0	0	0	0	0	110
412	E	86.9	Confident	81	Confident	173 Å²	173	115.6 Å²	115.6	81%	0.808	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-88.2	127.7	171.8	-64.5	-173.6	-179.9	0	0	109.3
413	Y	81.5	Confident	79.4	Confident	163 Å²	163	117.4 Å²	117.4	64%	0.639	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-59.7	139.4	168.8	-74.8	-82.8	0	0	0	108.7	L300 K415	L300-Y413 HydrophobicContact CD1-CD1 4.4Å; L300-Y413 HydrophobicContact CD1-CE1 4.48Å; L300-Y413 HydrophobicContact CD2-CD1 4.29Å; L300-Y413 HydrophobicContact CD2-CE1 4.4Å; L300-Y413 HydrophobicContact CD2-CG 4.34Å; Y413-K415 PolarHBondContact O-N 3.1Å; Y413-K415 VanDerWaalsContact O-N 3.1Å
414	P	76.6	Confident	78	Confident	105 Å²	105	119.1 Å²	119.1	68%	0.682	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-50	125.3	169	-21.8	31.2	0	0	0	107.9	E416	P414-E416 PolarHBondContact O-N 3.07Å
415	K	73.1	Confident	76.4	Confident	188 Å²	188	119.3 Å²	119.3	82%	0.817	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-59.8	119	170.4	-68.9	-179.7	-178	174.3	0	105.7	Y413 E417	Y413-K415 PolarHBondContact O-N 3.1Å; Y413-K415 VanDerWaalsContact O-N 3.1Å; K415-E417 PolarHBondContact O-N 3.26Å
416	E	66.6	Low	74.9	Confident	185 Å²	185	122.7 Å²	122.7	86%	0.864	63%	0.628	S	S	*	*			trans	-55.2	111.6	169.1	-67.9	-176.6	167.3	0	0	105.9	P414 D418	P414-E416 PolarHBondContact O-N 3.07Å; E416-D418 PolarHBondContact O-N 3.19Å
417	E	62.5	Low	73.4	Confident	179 Å²	179	126.1 Å²	126.1	84%	0.836	65%	0.65	S	S	*	*			trans	-62.5	118.6	162.2	-69	-174.9	169.9	0	0	104.5	K415 I419	K415-E417 PolarHBondContact O-N 3.26Å; E417-I419 PolarHBondContact O-N 3.18Å
418	D	59	Low	72.1	Confident	158 Å²	158	131 Å²	131	85%	0.845	67%	0.667	S	S	*	*			trans	-48.8	107.6	172.1	-74.3	-42.5	0	0	0	106.4	E416 D420	E416-D418 PolarHBondContact O-N 3.19Å; D418-D420 PolarHBondContact O-N 2.9Å
419	I	60.9	Low	70.6	Confident	140 Å²	140	138.3 Å²	138.3	72%	0.718	69%	0.691	S	S	*	*			trans	-60.4	111.4	177.1	-61.1	173.8	0	0	0	104.8	E417 L421	E417-I419 PolarHBondContact O-N 3.18Å; I419-L421 HydrophobicContact CG2-CD2 3.83Å; I419-L421 HydrophobicContact CG2-CG 4.24Å; I419-L421 PolarHBondContact O-N 2.81Å
420	D	63.4	Low	68.9	Low	112 Å²	112	140.9 Å²	140.9	60%	0.599	71%	0.705	S	S	*	*			trans	-68.9	90.7	175.1	-171.2	-3.7	0	0	0	108.3	D418 S422	D418-D420 PolarHBondContact O-N 2.9Å; D420-S422 PolarHBondContact O-N 3.12Å; D420-S422 VanDerWaalsContact O-N 3.14Å; D420-S422 WeakPolarHBondContact OD1-CB 3.11Å; D420-S422 PolarHBondContact OD1-N 3.05Å; D420-S422 PolarHBondContact OD1-OG 3.14Å; D420-S422 PolarHBondContact OD2-OG 3.31Å
421	L	65.5	Low	66.7	Low	120 Å²	120	146.5 Å²	146.5	63%	0.628	73%	0.734	S	S	*	*	G	3₁₀ helix	trans	-71.5	3.1	177.9	-66.9	173.2	0	0	0	112.3	I419 D423 V424	I419-L421 HydrophobicContact CG2-CD2 3.83Å; I419-L421 HydrophobicContact CG2-CG 4.24Å; I419-L421 PolarHBondContact O-N 2.81Å; L421-D423 PolarHBondContact O-N 2.81Å; L421-V424 HydrophobicContact CD2-CG2 3.78Å; L421-V424 PolarHBondContact O-N 2.6Å; L421-V424 VanDerWaalsContact O-N 3.12Å
422	S	67.4	Low	65.6	Low	85 Å²	85	153 Å²	153	59%	0.594	76%	0.762	S	S	*	*	G	3₁₀ helix	trans	-66.4	-21.3	176.8	69.5	0	0	0	0	113.3	D420	D420-S422 PolarHBondContact O-N 3.12Å; D420-S422 VanDerWaalsContact O-N 3.14Å; D420-S422 WeakPolarHBondContact OD1-CB 3.11Å; D420-S422 PolarHBondContact OD1-N 3.05Å; D420-S422 PolarHBondContact OD1-OG 3.14Å; D420-S422 PolarHBondContact OD2-OG 3.31Å
423	D	63.8	Low	64.5	Low	144 Å²	144	151.9 Å²	151.9	77%	0.77	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-86.2	-6.7	174.4	-73.5	-19.1	0	0	0	113.6	L421 Q425	L421-D423 PolarHBondContact O-N 2.81Å; D423-Q425 PolarHBondContact O-N 3.26Å
424	V	63.3	Low	63.6	Low	83 Å²	83	151.3 Å²	151.3	50%	0.503	77%	0.766	S	S	.	*			trans	-84	82.3	176.6	-172.7	0	0	0	0	109.5	L421 L426	L421-V424 HydrophobicContact CD2-CG2 3.78Å; L421-V424 PolarHBondContact O-N 2.6Å; L421-V424 VanDerWaalsContact O-N 3.12Å; V424-L426 HydrophobicContact CG1-CD2 4.33Å; V424-L426 HydrophobicContact CG1-CG 4.16Å; V424-L426 PolarHBondContact O-N 3.1Å; V424-L426 VanDerWaalsContact O-N 3.1Å
425	Q	60.6	Low	62.8	Low	175 Å²	175	154.1 Å²	154.1	82%	0.818	77%	0.771	S	S	*	*			trans	-72.1	96.3	164.5	-78.7	175.3	0.7	0	0	109.3	D423 D427	D423-Q425 PolarHBondContact O-N 3.26Å; Q425-D427 PolarHBondContact O-N 3.02Å
426	L	63.5	Low	62.1	Low	138 Å²	138	151.9 Å²	151.9	72%	0.723	77%	0.768	S	S	*	*			trans	-71.3	109	165.3	-70	168.5	0	0	0	108.5	V424 K428	V424-L426 HydrophobicContact CG1-CD2 4.33Å; V424-L426 HydrophobicContact CG1-CG 4.16Å; V424-L426 PolarHBondContact O-N 3.1Å; V424-L426 VanDerWaalsContact O-N 3.1Å; L426-K428 PolarHBondContact O-N 2.79Å
427	D	64.1	Low	61.9	Low	123 Å²	123	149.7 Å²	149.7	66%	0.658	76%	0.762	S	S	*	*			trans	-59.2	122.6	171.8	-74.2	-28.3	0	0	0	109.5	Q425 Q429 E430	Q425-D427 PolarHBondContact O-N 3.02Å; D427-Q429 PolarHBondContact O-N 3.25Å; D427-E430 PolarHBondContact O-N 3.37Å
428	K	65.2	Low	61.8	Low	203 Å²	203	147.6 Å²	147.6	88%	0.883	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.6	11.7	-179.5	-89.4	-176.9	172.9	176.7	0	115.2	L426	L426-K428 PolarHBondContact O-N 2.79Å
429	Q	62.1	Low	62	Low	190 Å²	190	146.8 Å²	146.8	89%	0.888	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	-1.9	178.7	-78.2	-176.2	-25.6	0	0	114.2	D427	D427-Q429 PolarHBondContact O-N 3.25Å
430	E	58.3	Low	62.1	Low	188 Å²	188	147.4 Å²	147.4	88%	0.879	75%	0.753	S	S	*	*			trans	-115.4	14.7	177.3	-64.7	-167.4	148.2	0	0	114.5	D427	D427-E430 PolarHBondContact O-N 3.37Å
431	L	48.3	Very low	62	Low	208 Å²	208	150.6 Å²	150.6	100%	1.089	77%	0.767	S	S	*	*			trans	-107.9	0	172.9	-85.7	165.7	0	0	0	113.1

Retrieved 431 of 431 residues in 103.5 ms (Link to these results)

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