A0A077YVK0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YVK0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 245 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	38.9	Very low	43.7	Very low	225 Å²	225	121.7 Å²	121.7	100%	1.108	63%	0.633	S	S	*	*				0	120.5	0	-80.8	-179.2	-170.3	0	0	106.7	M3	M1-M3 PolarHBondContact O-N 3.04Å
2	D	39.7	Very low	43.2	Very low	120 Å²	120	115.7 Å²	115.7	64%	0.642	60%	0.599	S	S	*	*			trans	-61	117.5	174.4	-104.5	-39.5	0	0	0	109.1	L4 N5	D2-L4 PolarHBondContact O-N 2.85Å; D2-N5 PolarHBondContact O-N 3.11Å
3	M	40.1	Very low	42.8	Very low	136 Å²	136	110.6 Å²	110.6	67%	0.67	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-57.8	-21.8	-178.5	-83.2	-167.1	-79.8	0	0	112.8	M1 N5 I6 L51	M1-M3 PolarHBondContact O-N 3.04Å; M3-N5 PolarHBondContact O-N 3.31Å; M3-I6 PolarHBondContact O-N 3.09Å; M3-L51 HydrophobicContact SD-CD2 4.44Å
4	L	41.4	Very low	42.7	Very low	89 Å²	89	108.9 Å²	108.9	47%	0.466	57%	0.571	S	S	.	*	G	3₁₀ helix	trans	-62.5	-28.4	175.6	-73.5	164.2	0	0	0	112.9	D2 I6 L7 Q12	D2-L4 PolarHBondContact O-N 2.85Å; L4-I6 PolarHBondContact O-N 3.3Å; L4-I6 VanDerWaalsContact O-N 3.17Å; L4-L7 PolarHBondContact O-N 3.1Å; L4-Q12 PolarHBondContact O-NE2 2.84Å
5	N	44.7	Very low	42.5	Very low	137 Å²	137	109.8 Å²	109.8	73%	0.733	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-73.7	-4	-178.2	-78.7	-15.1	0	0	0	114.6	D2 M3	D2-N5 PolarHBondContact O-N 3.11Å; M3-N5 PolarHBondContact O-N 3.31Å
6	I	48	Very low	42.1	Very low	131 Å²	131	111.3 Å²	111.3	67%	0.672	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-99.2	-13.5	-178.8	-46.8	178.5	0	0	0	111.5	M3 L4	M3-I6 PolarHBondContact O-N 3.09Å; L4-I6 PolarHBondContact O-N 3.3Å; L4-I6 VanDerWaalsContact O-N 3.17Å
7	L	38.6	Very low	42.1	Very low	47 Å²	47	110.4 Å²	110.4	25%	0.246	57%	0.566	C	S	.	*	S	Bend	trans	-92	135.7	-177.1	-65.2	172.4	0	0	0	111.6	L4 V9 Q11 Q12 L51	L4-L7 PolarHBondContact O-N 3.1Å; L7-V9 PolarHBondContact O-N 3.35Å; L7-Q11 HydrophobicContact CB-CB 4.47Å; L7-Q12 HydrophobicContact CB-CG 4.16Å; L7-Q12 PolarHBondContact O-NE2 2.94Å; L7-L51 HydrophobicContact CD1-CD1 3.83Å; L7-L51 HydrophobicContact CD2-CD1 3.96Å; L7-L51 HydrophobicContact CG-CD1 4.31Å
8	P	46.3	Very low	42.3	Very low	81 Å²	81	107.7 Å²	107.7	53%	0.526	55%	0.553	S	S	.	*			trans	-51.1	139.2	170.8	-25	32.5	0	0	0	111.5	H10 Q11 Q12	P8-H10 PolarHBondContact O-N 2.97Å; P8-Q11 WeakPolarHBondContact O-CB 3.03Å; P8-Q11 PolarHBondContact O-N 3.33Å; P8-Q12 PolarHBondContact O-N 3.42Å
9	V	50.4	Low	42.1	Very low	117 Å²	117	106.4 Å²	106.4	71%	0.709	55%	0.547	S	S	*	.	H	α-helix	trans	-48.4	-34.4	-175.6	177.4	0	0	0	0	113	L7 Q12 S13	L7-V9 PolarHBondContact O-N 3.35Å; V9-Q12 PolarHBondContact O-N 2.76Å; V9-S13 PolarHBondContact O-N 2.92Å
10	H	44.4	Very low	41.9	Very low	148 Å²	148	111.8 Å²	111.8	69%	0.685	56%	0.56	S	S	*	*	H	α-helix	trans	-68.4	-34.2	179	-135.6	-26.5	0	0	0	113.6	P8 L14	P8-H10 PolarHBondContact O-N 2.97Å; H10-L14 PolarHBondContact O-N 2.87Å
11	Q	48.1	Very low	42	Very low	108 Å²	108	111.6 Å²	111.6	51%	0.505	56%	0.561	S	S	.	*	H	α-helix	trans	-74.1	-33.5	174.3	-72.5	-172.9	-31.4	0	0	111.5	L7 P8 F15	L7-Q11 HydrophobicContact CB-CB 4.47Å; P8-Q11 WeakPolarHBondContact O-CB 3.03Å; P8-Q11 PolarHBondContact O-N 3.33Å; Q11-F15 PolarHBondContact O-N 3.49Å; Q11-F15 VanDerWaalsContact O-N 3.16Å
12	Q	37.7	Very low	42.5	Very low	49 Å²	49	103.2 Å²	103.2	23%	0.229	52%	0.524	C	S	.	.	H	α-helix	trans	-63.6	-46.8	173.7	-61.6	-179	17.4	0	0	111	L4 L7 P8 V9 L14 F15 F16	L4-Q12 PolarHBondContact O-NE2 2.84Å; L7-Q12 HydrophobicContact CB-CG 4.16Å; L7-Q12 PolarHBondContact O-NE2 2.94Å; P8-Q12 PolarHBondContact O-N 3.42Å; V9-Q12 PolarHBondContact O-N 2.76Å; Q12-L14 VanDerWaalsContact C-N 3.34Å; Q12-L14 PolarHBondContact O-N 3.16Å; Q12-F15 PolarHBondContact O-N 3.47Å; Q12-F16 VanDerWaalsContact O-CD2 3.24Å; Q12-F16 WeakPolarHBondContact O-CD2 3.46Å; Q12-F16 PolarHBondContact O-N 3.18Å
13	S	38.1	Very low	43	Very low	50 Å²	50	101.5 Å²	101.5	35%	0.35	52%	0.522	S	S	.	.	H	α-helix	trans	-63.8	-39.7	-179.3	100.6	0	0	0	0	112.1	V9 F15 F16 D17	V9-S13 PolarHBondContact O-N 2.92Å; S13-F15 VanDerWaalsContact C-N 3.3Å; S13-F15 PolarHBondContact O-N 2.85Å; S13-F16 PolarHBondContact O-N 2.76Å; S13-D17 PolarHBondContact O-N 2.97Å
14	L	42.2	Very low	44.1	Very low	87 Å²	87	98.4 Å²	98.4	46%	0.455	51%	0.513	S	S	.	.	H	α-helix	trans	-59.6	-41.7	174.8	-117.5	127.1	0	0	0	111.8	H10 Q12 L18	H10-L14 PolarHBondContact O-N 2.87Å; Q12-L14 VanDerWaalsContact C-N 3.34Å; Q12-L14 PolarHBondContact O-N 3.16Å; L14-L18 WeakPolarHBondContact O-CD1 3.36Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.36Å; L14-L18 PolarHBondContact O-N 2.67Å; L14-L18 VanDerWaalsContact O-N 3.14Å
15	F	38.4	Very low	45.6	Very low	122 Å²	122	94.5 Å²	94.5	54%	0.535	49%	0.493	S	S	.	.	H	α-helix	trans	-67.1	-37.5	176.8	-134	-84.7	0	0	0	112.6	Q11 Q12 S13	Q11-F15 PolarHBondContact O-N 3.49Å; Q11-F15 VanDerWaalsContact O-N 3.16Å; Q12-F15 PolarHBondContact O-N 3.47Å; S13-F15 VanDerWaalsContact C-N 3.3Å; S13-F15 PolarHBondContact O-N 2.85Å
16	F	37	Very low	47.3	Very low	134 Å²	134	90.6 Å²	90.6	59%	0.588	47%	0.472	S	S	*	.	H	α-helix	trans	-69.2	-40.1	176.6	-87.8	-72.7	0	0	0	112.7	Q12 S13 N19	Q12-F16 VanDerWaalsContact O-CD2 3.24Å; Q12-F16 WeakPolarHBondContact O-CD2 3.46Å; Q12-F16 PolarHBondContact O-N 3.18Å; S13-F16 PolarHBondContact O-N 2.76Å; F16-N19 PolarHBondContact O-N 3.28Å
17	D	42	Very low	49	Very low	95 Å²	95	84.4 Å²	84.4	51%	0.508	44%	0.44	S	S	.	.	H	α-helix	trans	-70.2	-33.4	179.1	-74.1	-33.1	0	0	0	112.2	S13 N19 R20	S13-D17 PolarHBondContact O-N 2.97Å; D17-N19 PolarHBondContact O-N 3.01Å; D17-R20 PolarHBondContact O-N 3.16Å
18	L	45.5	Very low	50.9	Low	63 Å²	63	83.8 Å²	83.8	33%	0.33	44%	0.437	S	S	.	.	H	α-helix	trans	-60.4	-29.7	174.4	-77.4	166	0	0	0	113.2	L14 K37	L14-L18 WeakPolarHBondContact O-CD1 3.36Å; L14-L18 VanDerWaalsContact O-CG 3.26Å; L14-L18 WeakPolarHBondContact O-CG 3.36Å; L14-L18 PolarHBondContact O-N 2.67Å; L14-L18 VanDerWaalsContact O-N 3.14Å; L18-K37 HydrophobicContact CD2-CB 3.99Å
19	N	37.6	Very low	52.1	Low	83 Å²	83	85.2 Å²	85.2	44%	0.444	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-85.7	-8	-176.4	-88.5	-29.9	0	0	0	114.9	F16 D17 N21 C22	F16-N19 PolarHBondContact O-N 3.28Å; D17-N19 PolarHBondContact O-N 3.01Å; N19-N21 PolarHBondContact O-N 2.87Å; N19-C22 PolarHBondContact O-SG 2.91Å
20	R	39.9	Very low	53.2	Low	214 Å²	214	80.3 Å²	80.3	81%	0.808	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-67.2	-8.5	-173.6	-89.2	-175.6	177.4	-180	2.1	115.3	D17	D17-R20 PolarHBondContact O-N 3.16Å
21	N	43.6	Very low	54.5	Low	108 Å²	108	82.3 Å²	82.3	58%	0.578	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-141.9	52.5	177.4	-134.1	-14.9	0	0	0	113.1	N19 S23 S24	N19-N21 PolarHBondContact O-N 2.87Å; N21-S23 PolarHBondContact O-N 3.47Å; N21-S24 WeakPolarHBondContact O-CB 3.48Å; N21-S24 PolarHBondContact O-N 2.84Å; N21-S24 PolarHBondContact O-OG 3.19Å
22	C	48.9	Very low	56	Low	48 Å²	48	81.8 Å²	81.8	32%	0.324	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-52.1	-25.2	-177	-70.6	0	0	0	0	115.4	N19 S24 L25 L26	N19-C22 PolarHBondContact O-SG 2.91Å; C22-S24 VanDerWaalsContact C-N 3.26Å; C22-S24 PolarHBondContact O-N 3.28Å; C22-L25 WeakPolarHBondContact O-CA 3.49Å; C22-L25 WeakPolarHBondContact O-CB 3.41Å; C22-L25 PolarHBondContact O-N 3.42Å; C22-L26 PolarHBondContact O-N 2.99Å
23	S	50.1	Low	58.1	Low	85 Å²	85	79.5 Å²	79.5	59%	0.594	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-60.4	-36.7	175	56.4	0	0	0	0	112.3	N21 L25 L26	N21-S23 PolarHBondContact O-N 3.47Å; S23-L25 PolarHBondContact O-N 2.99Å; S23-L26 PolarHBondContact O-N 3.33Å
24	S	63.4	Low	60.2	Low	71 Å²	71	79.7 Å²	79.7	50%	0.497	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-73.7	-10.6	174.7	73.9	0	0	0	0	113.6	N21 C22	N21-S24 WeakPolarHBondContact O-CB 3.48Å; N21-S24 PolarHBondContact O-N 2.84Å; N21-S24 PolarHBondContact O-OG 3.19Å; C22-S24 VanDerWaalsContact C-N 3.26Å; C22-S24 PolarHBondContact O-N 3.28Å
25	L	72.3	Confident	62.2	Low	7 Å²	7	77.7 Å²	77.7	4%	0.037	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-96	-4.7	178.5	-55.4	-176.1	0	0	0	112.1	C22 S23 Y27 V34 Q35 K37	C22-L25 WeakPolarHBondContact O-CA 3.49Å; C22-L25 WeakPolarHBondContact O-CB 3.41Å; C22-L25 PolarHBondContact O-N 3.42Å; S23-L25 PolarHBondContact O-N 2.99Å; L25-Y27 PolarHBondContact O-N 3.44Å; L25-Y27 VanDerWaalsContact O-N 3.16Å; L25-V34 HydrophobicContact CB-CG1 3.79Å; L25-V34 HydrophobicContact CD1-CG1 4.11Å; L25-Q35 VanDerWaalsContact O-CB 3.27Å; L25-Q35 WeakPolarHBondContact O-CB 3.4Å; L25-Q35 PolarHBondContact O-N 2.83Å; L25-K37 HydrophobicContact CD2-CB 4.29Å; L25-K37 HydrophobicContact CD2-CD 3.42Å; L25-K37 VanDerWaalsContact CD2-CD 3.42Å; L25-K37 VanDerWaalsContact CD2-CE 3.41Å; L25-K37 HydrophobicContact CD2-CG 3.58Å
26	L	81.4	Confident	64.4	Low	55 Å²	55	74.3 Å²	74.3	29%	0.288	39%	0.393	S	S	.	.	B	Isolated β-bridge	trans	-67	118.2	-178.8	-66.7	174.4	0	0	0	110.4	C22 S23 D28 S29 S30 V33 V34	C22-L26 PolarHBondContact O-N 2.99Å; S23-L26 PolarHBondContact O-N 3.33Å; L26-D28 PolarHBondContact O-N 3.47Å; L26-S29 PolarHBondContact O-N 3.09Å; L26-S30 WeakPolarHBondContact CB-O 3.29Å; L26-S30 WeakPolarHBondContact CD1-O 2.92Å; L26-S30 WeakPolarHBondContact CD2-O 3.12Å; L26-S30 WeakPolarHBondContact CG-O 2.96Å; L26-V33 WeakPolarHBondContact CA-O 3.39Å; L26-V34 HydrophobicContact CD2-CG2 4.24Å
27	Y	82.5	Confident	66.5	Low	0 Å²	0	73.3 Å²	73.3	0%	0	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-63.6	121.8	176.6	177.8	-95.2	0	0	0	109.6	L25 S29 S30 V33 I66 V89 G93 K94 H188 T190	L25-Y27 PolarHBondContact O-N 3.44Å; L25-Y27 VanDerWaalsContact O-N 3.16Å; Y27-S29 PolarHBondContact O-N 3.28Å; Y27-S29 VanDerWaalsContact O-N 3.14Å; Y27-S30 WeakPolarHBondContact O-CB 3.37Å; Y27-S30 PolarHBondContact O-N 3.13Å; Y27-S30 PolarHBondContact O-OG 3.32Å; Y27-V33 PolarHBondContact N-O 3.07Å; Y27-I66 HydrophobicContact CD1-CD1 4.34Å; Y27-I66 HydrophobicContact CD1-CG1 4.16Å; Y27-I66 HydrophobicContact CD1-CG2 4.42Å; Y27-I66 HydrophobicContact CE1-CD1 3.88Å; Y27-I66 HydrophobicContact CE1-CG1 4.18Å; Y27-V89 HydrophobicContact CD2-CG1 4.5Å; Y27-V89 HydrophobicContact CD2-CG2 3.75Å; Y27-V89 HydrophobicContact CE2-CG2 3.98Å; Y27-V89 HydrophobicContact CG-CG2 4.45Å; Y27-G93 WeakPolarHBondContact OH-CA 3.42Å; Y27-K94 PolarHBondContact OH-N 3.08Å; Y27-H188 WeakPolarHBondContact OH-CA 3.07Å; Y27-H188 PolarHBondContact OH-O 2.95Å; Y27-T190 HydrophobicContact CE2-CG2 4.17Å
28	D	78.3	Confident	68.5	Low	34 Å²	34	70.3 Å²	70.3	18%	0.182	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	48.3	38.7	179.2	-169.3	43.9	0	0	0	114.2	L26 S30 K94 H188	L26-D28 PolarHBondContact O-N 3.47Å; D28-S30 PolarHBondContact O-N 2.68Å; D28-K94 VanDerWaalsContact CG-NZ 3.33Å; D28-K94 IonicContact OD1-NZ 3.67Å; D28-K94 PolarHBondContact OD1-NZ 2.98Å; D28-K94 VanDerWaalsContact OD1-NZ 3.14Å; D28-K94 WeakPolarHBondContact OD2-CD 3.19Å; D28-K94 WeakPolarHBondContact OD2-CE 3.41Å; D28-K94 IonicContact OD2-NZ 3.79Å; D28-K94 PolarHBondContact OD2-NZ 2.89Å; D28-H188 VanDerWaalsContact CG-NE2 3.29Å; D28-H188 IonicContact OD1-CD2 3.98Å; D28-H188 IonicContact OD1-CE1 3.62Å; D28-H188 IonicContact OD1-NE2 2.7Å; D28-H188 PolarHBondContact OD1-NE2 3.05Å; D28-H188 IonicContact OD2-NE2 2.68Å
29	S	71.6	Confident	70.3	Confident	112 Å²	112	69.1 Å²	69.1	78%	0.783	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	58.1	20.6	-176.4	-50.8	0	0	0	0	114	L26 Y27	L26-S29 PolarHBondContact O-N 3.09Å; Y27-S29 PolarHBondContact O-N 3.28Å; Y27-S29 VanDerWaalsContact O-N 3.14Å
30	S	73.7	Confident	72.5	Confident	14 Å²	14	70.7 Å²	70.7	10%	0.098	38%	0.377	C	S	.	.			trans	-59.9	150.2	171.1	72.6	0	0	0	0	110	L26 Y27 D28 V33	L26-S30 WeakPolarHBondContact CB-O 3.29Å; L26-S30 WeakPolarHBondContact CD1-O 2.92Å; L26-S30 WeakPolarHBondContact CD2-O 3.12Å; L26-S30 WeakPolarHBondContact CG-O 2.96Å; Y27-S30 WeakPolarHBondContact O-CB 3.37Å; Y27-S30 PolarHBondContact O-N 3.13Å; Y27-S30 PolarHBondContact O-OG 3.32Å; D28-S30 PolarHBondContact O-N 2.68Å; S30-V33 VanDerWaalsContact OG-CB 3.31Å; S30-V33 WeakPolarHBondContact OG-CB 3.4Å; S30-V33 PolarHBondContact OG-N 2.95Å; S30-V33 PolarHBondContact OG-O 3Å
31	K	73.1	Confident	74.6	Confident	189 Å²	189	67.5 Å²	67.5	82%	0.822	37%	0.371	S	S	*	.	S	Bend	trans	-80.1	-22.1	177	-65.6	-173.5	178.1	-175.8	0	112.9
32	D	78.1	Confident	76.7	Confident	98 Å²	98	64.7 Å²	64.7	52%	0.524	36%	0.356	S	S	.	.	S	Bend	trans	-126.8	-2.6	-160.9	-48.7	-40.6	0	0	0	113.6	R65	D32-R65 IonicContact OD2-NH1 3.17Å; D32-R65 PolarHBondContact OD2-NH1 2.87Å
33	V	82	Confident	78.5	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.346	C	S	.	.			trans	-118	110.8	-179.2	-172.9	0	0	0	0	110.6	L26 Y27 S30 V55 C57 I66 V89	L26-V33 WeakPolarHBondContact CA-O 3.39Å; Y27-V33 PolarHBondContact N-O 3.07Å; S30-V33 VanDerWaalsContact OG-CB 3.31Å; S30-V33 WeakPolarHBondContact OG-CB 3.4Å; S30-V33 PolarHBondContact OG-N 2.95Å; S30-V33 PolarHBondContact OG-O 3Å; V33-V55 HydrophobicContact CG1-CG1 4.32Å; V33-C57 HydrophobicContact CG1-CB 3.94Å; V33-C57 HydrophobicContact CG2-CB 4.25Å; V33-I66 HydrophobicContact CB-CG2 4.4Å; V33-I66 HydrophobicContact CG2-CG2 3.66Å; V33-V89 HydrophobicContact CG1-CG1 3.95Å
34	V	81.9	Confident	80.5	Confident	55 Å²	55	61.8 Å²	61.8	33%	0.333	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-94.2	128.4	175.9	179.1	0	0	0	0	109.1	L25 L26	L25-V34 HydrophobicContact CB-CG1 3.79Å; L25-V34 HydrophobicContact CD1-CG1 4.11Å; L26-V34 HydrophobicContact CD2-CG2 4.24Å
35	Q	85.5	Confident	81.8	Confident	45 Å²	45	61 Å²	61	21%	0.21	32%	0.319	C	S	.	.			trans	-87.4	116.5	172.5	-174	175.7	5.7	0	0	109.6	L25 K37 Q87 V89	L25-Q35 VanDerWaalsContact O-CB 3.27Å; L25-Q35 WeakPolarHBondContact O-CB 3.4Å; L25-Q35 PolarHBondContact O-N 2.83Å; Q35-K37 PolarHBondContact O-N 2.9Å; Q35-Q87 VanDerWaalsContact CD-O 3.31Å; Q35-Q87 WeakPolarHBondContact CG-O 3.48Å; Q35-Q87 PolarHBondContact NE2-O 3.13Å; Q35-V89 HydrophobicContact CB-CG1 3.93Å; Q35-V89 HydrophobicContact CG-CG1 4.15Å; Q35-V89 HydrophobicContact CG-CG2 4.49Å
36	V	83.4	Confident	82.4	Confident	51 Å²	51	69 Å²	69	31%	0.309	35%	0.353	S	S	.	.			trans	-69.8	111.5	177.5	-178.5	0	0	0	0	108.8	L38 Y52 G88	V36-L38 HydrophobicContact CG1-CD2 4.32Å; V36-L38 PolarHBondContact O-N 3.37Å; V36-Y52 HydrophobicContact CB-CE2 4.49Å; V36-G88 PolarHBondContact N-O 2.82Å; V36-G88 WeakPolarHBondContact O-CA 3.37Å
37	K	82.4	Confident	82.5	Confident	113 Å²	113	69.9 Å²	69.9	49%	0.491	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-72.3	120	173.6	-85.3	-176.9	-175	170.5	0	109.7	L18 L25 Q35	L18-K37 HydrophobicContact CD2-CB 3.99Å; L25-K37 HydrophobicContact CD2-CB 4.29Å; L25-K37 HydrophobicContact CD2-CD 3.42Å; L25-K37 VanDerWaalsContact CD2-CD 3.42Å; L25-K37 VanDerWaalsContact CD2-CE 3.41Å; L25-K37 HydrophobicContact CD2-CG 3.58Å; Q35-K37 PolarHBondContact O-N 2.9Å
38	L	83	Confident	82.5	Confident	32 Å²	32	76.5 Å²	76.5	17%	0.168	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-103.3	138.1	173.8	-66.2	172.8	0	0	0	109.8	V36 D42 Q43 Y52 R86	V36-L38 HydrophobicContact CG1-CD2 4.32Å; V36-L38 PolarHBondContact O-N 3.37Å; L38-D42 HydrophobicContact CB-CB 4.31Å; L38-D42 HydrophobicContact CD2-CB 4.5Å; L38-Q43 HydrophobicContact CB-CG 4.17Å; L38-Q43 PolarHBondContact O-NE2 3.36Å; L38-Y52 HydrophobicContact CD1-CD2 3.97Å; L38-Y52 HydrophobicContact CD1-CE2 3.62Å; L38-Y52 HydrophobicContact CD2-CD2 4.07Å; L38-Y52 HydrophobicContact CD2-CE2 4.32Å; L38-Y52 HydrophobicContact CG-CD2 4.43Å; L38-Y52 HydrophobicContact CG-CE2 4.2Å; L38-R86 HydrophobicContact CD1-CB 3.37Å; L38-R86 HydrophobicContact CD1-CG 4.21Å
39	P	84.6	Confident	82.7	Confident	38 Å²	38	76.8 Å²	76.8	25%	0.247	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-52.2	151.9	164.4	-24.2	34.6	0	0	0	111.6	E41 D42 Q43	P39-E41 HydrophobicContact CB-CG 4.02Å; P39-E41 PolarHBondContact O-N 3.36Å; P39-D42 PolarHBondContact O-N 3.03Å; P39-Q43 PolarHBondContact O-N 3.28Å
40	D	82.8	Confident	83	Confident	116 Å²	116	75.6 Å²	75.6	62%	0.62	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.5	-177.4	-73.9	-22.2	0	0	0	112.7	D42 Q43 P44	D40-D42 VanDerWaalsContact C-N 3.29Å; D40-D42 PolarHBondContact O-N 2.92Å; D40-Q43 PolarHBondContact OD1-NE2 2.79Å; D40-P44 VanDerWaalsContact O-CD 3.31Å; D40-P44 WeakPolarHBondContact O-CD 3.49Å
41	E	85.3	Confident	83.4	Confident	146 Å²	146	79.6 Å²	79.6	68%	0.682	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-27	173.9	59.9	-130.4	-148.1	0	0	114	P39 P44 E47	P39-E41 HydrophobicContact CB-CG 4.02Å; P39-E41 PolarHBondContact O-N 3.36Å; E41-P44 WeakPolarHBondContact O-CD 3.39Å; E41-E47 WeakPolarHBondContact O-CG 3.1Å
42	D	86.4	Confident	84.1	Confident	49 Å²	49	71.2 Å²	71.2	26%	0.262	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-14.9	-176.3	-76.5	-24.6	0	0	0	113.2	L38 P39 D40 L49 R86	L38-D42 HydrophobicContact CB-CB 4.31Å; L38-D42 HydrophobicContact CD2-CB 4.5Å; P39-D42 PolarHBondContact O-N 3.03Å; D40-D42 VanDerWaalsContact C-N 3.29Å; D40-D42 PolarHBondContact O-N 2.92Å; D42-L49 HydrophobicContact CB-CD1 3.87Å; D42-L49 WeakPolarHBondContact O-CD1 3.43Å; D42-R86 PolarHBondContact O-NH1 3.44Å
43	Q	88.1	Confident	84.5	Confident	26 Å²	26	70.8 Å²	70.8	12%	0.121	36%	0.361	C	S	.	.			trans	-61.7	-44.5	178.4	-72	173	27.5	0	0	113	L38 P39 D40 W45 G85 R86 R185	L38-Q43 HydrophobicContact CB-CG 4.17Å; L38-Q43 PolarHBondContact O-NE2 3.36Å; P39-Q43 PolarHBondContact O-N 3.28Å; D40-Q43 PolarHBondContact OD1-NE2 2.79Å; Q43-W45 PolarHBondContact O-N 3.35Å; Q43-G85 CarbonylContact O-C 3.46Å; Q43-G85 WeakPolarHBondContact O-CA 3.46Å; Q43-R86 PolarHBondContact O-N 3.19Å; Q43-R185 VanDerWaalsContact OE1-NH1 3.08Å
44	P	91	Very high	84.7	Confident	47 Å²	47	70.9 Å²	70.9	31%	0.305	36%	0.362	S	S	.	.	S	Bend	trans	-60.3	134.2	-176	-26.3	36.4	0	0	0	113.7	D40 E41 K46 E47 R86	D40-P44 VanDerWaalsContact O-CD 3.31Å; D40-P44 WeakPolarHBondContact O-CD 3.49Å; E41-P44 WeakPolarHBondContact O-CD 3.39Å; P44-K46 HydrophobicContact CB-CD 4.48Å; P44-K46 HydrophobicContact CB-CG 3.89Å; P44-K46 PolarHBondContact O-N 2.94Å; P44-E47 PolarHBondContact O-N 2.91Å; P44-R86 PolarHBondContact O-NH1 2.75Å
45	W	89.7	Confident	85.1	Confident	55 Å²	55	70.4 Å²	70.4	21%	0.208	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.6	-178.5	-70.7	108.7	0	0	0	115.6	Q43 E47 P74 K81 N82 R86 D191	Q43-W45 PolarHBondContact O-N 3.35Å; W45-E47 PolarHBondContact O-N 3.07Å; W45-P74 HydrophobicContact CZ3-CB 4.24Å; W45-K81 HydrophobicContact CD2-CB 4.17Å; W45-K81 HydrophobicContact CD2-CD 3.85Å; W45-K81 HydrophobicContact CD2-CG 4.15Å; W45-K81 HydrophobicContact CE3-CD 4.01Å; W45-K81 HydrophobicContact CE3-CG 4.44Å; W45-K81 HydrophobicContact CG-CB 4.33Å; W45-K81 HydrophobicContact CG-CD 4.08Å; W45-K81 HydrophobicContact CZ2-CB 4.16Å; W45-K81 HydrophobicContact CZ2-CG 4.23Å; W45-N82 VanDerWaalsContact CD1-O 3.29Å; W45-N82 PolarHBondContact NE1-O 3.15Å; W45-R86 HydrophobicContact CD2-CG 4.33Å; W45-R86 HydrophobicContact CE3-CG 4.01Å; W45-R86 HydrophobicContact CH2-CG 3.82Å; W45-R86 HydrophobicContact CZ2-CG 4.14Å; W45-R86 HydrophobicContact CZ3-CG 3.75Å; W45-D191 HydrophobicContact CH2-CB 3.77Å; W45-D191 HydrophobicContact CZ2-CB 3.9Å; W45-D191 WeakPolarHBondContact CZ2-O 3.36Å
46	K	86.7	Confident	85.2	Confident	173 Å²	173	69.2 Å²	69.2	75%	0.752	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-23.7	176.8	62.1	175.6	-174.2	173	0	112.9	P44	P44-K46 HydrophobicContact CB-CD 4.48Å; P44-K46 HydrophobicContact CB-CG 3.89Å; P44-K46 PolarHBondContact O-N 2.94Å
47	E	82	Confident	85.5	Confident	74 Å²	74	66.8 Å²	66.8	35%	0.346	34%	0.339	S	S	.	.	S	Bend	trans	-77.9	136.5	179.5	-57.3	-49.1	140.2	0	0	111.1	E41 P44 W45 L49 R86	E41-E47 WeakPolarHBondContact O-CG 3.1Å; P44-E47 PolarHBondContact O-N 2.91Å; W45-E47 PolarHBondContact O-N 3.07Å; E47-L49 PolarHBondContact O-N 3.29Å; E47-R86 PolarHBondContact O-NH1 2.84Å; E47-R86 PolarHBondContact O-NH2 2.92Å
48	N	82.6	Confident	85.9	Confident	139 Å²	139	64.3 Å²	64.3	74%	0.743	33%	0.329	S	S	*	.			trans	-88.5	107.4	179.1	-176.1	24.1	0	0	0	110.6	P50	N48-P50 WeakPolarHBondContact O-CD 3.34Å
49	L	84	Confident	86.2	Confident	40 Å²	40	66.5 Å²	66.5	21%	0.209	33%	0.334	C	S	.	.			trans	-119.9	81.5	179.3	-62.4	175.9	0	0	0	109.6	D42 E47 L51 Y52	D42-L49 HydrophobicContact CB-CD1 3.87Å; D42-L49 WeakPolarHBondContact O-CD1 3.43Å; E47-L49 PolarHBondContact O-N 3.29Å; L49-L51 PolarHBondContact O-N 3.28Å; L49-Y52 WeakPolarHBondContact O-CB 3.24Å; L49-Y52 PolarHBondContact O-N 3Å; L49-Y52 VanDerWaalsContact O-N 3.07Å
50	P	77.9	Confident	86.3	Confident	88 Å²	88	67 Å²	67	57%	0.571	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-25	-174	24.5	-34.2	0	0	0	113.5	N48	N48-P50 WeakPolarHBondContact O-CD 3.34Å
51	L	82.1	Confident	86.3	Confident	98 Å²	98	65.4 Å²	65.4	51%	0.513	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	-1.6	178.6	-60.6	179.9	0	0	0	113.6	M3 L7 L49 M53	M3-L51 HydrophobicContact SD-CD2 4.44Å; L7-L51 HydrophobicContact CD1-CD1 3.83Å; L7-L51 HydrophobicContact CD2-CD1 3.96Å; L7-L51 HydrophobicContact CG-CD1 4.31Å; L49-L51 PolarHBondContact O-N 3.28Å; L51-M53 PolarHBondContact O-N 2.78Å; L51-M53 VanDerWaalsContact O-N 3.08Å
52	Y	86.4	Confident	86.4	Confident	12 Å²	12	64.2 Å²	64.2	5%	0.047	34%	0.341	C	S	.	.			trans	-77.5	99.1	178	177	-108.8	0	0	0	109.7	V36 L38 L49 P54 P74 R86 G88 D191	V36-Y52 HydrophobicContact CB-CE2 4.49Å; L38-Y52 HydrophobicContact CD1-CD2 3.97Å; L38-Y52 HydrophobicContact CD1-CE2 3.62Å; L38-Y52 HydrophobicContact CD2-CD2 4.07Å; L38-Y52 HydrophobicContact CD2-CE2 4.32Å; L38-Y52 HydrophobicContact CG-CD2 4.43Å; L38-Y52 HydrophobicContact CG-CE2 4.2Å; L49-Y52 WeakPolarHBondContact O-CB 3.24Å; L49-Y52 PolarHBondContact O-N 3Å; L49-Y52 VanDerWaalsContact O-N 3.07Å; Y52-P54 HydrophobicContact CD1-CG 4.25Å; Y52-P54 HydrophobicContact CE1-CB 4.17Å; Y52-P54 HydrophobicContact CE1-CG 3.55Å; Y52-P54 HydrophobicContact CE2-CB 4.14Å; Y52-P54 HydrophobicContact CE2-CG 4.35Å; Y52-P54 WeakPolarHBondContact O-CD 3.32Å; Y52-P54 WeakPolarHBondContact OH-CB 3.21Å; Y52-P74 HydrophobicContact CD1-CG 3.61Å; Y52-P74 HydrophobicContact CE1-CG 4.18Å; Y52-P74 WeakPolarHBondContact O-CD 3.3Å; Y52-P74 WeakPolarHBondContact O-CG 3.39Å; Y52-R86 VanDerWaalsContact CD1-CD 3.48Å; Y52-R86 HydrophobicContact CD1-CG 4.19Å; Y52-R86 HydrophobicContact CE1-CB 4.01Å; Y52-R86 VanDerWaalsContact CE1-CD 3.44Å; Y52-R86 HydrophobicContact CE1-CG 3.64Å; Y52-G88 WeakPolarHBondContact OH-CA 3.46Å; Y52-G88 PolarHBondContact OH-N 2.86Å; Y52-D191 WeakPolarHBondContact CE1-OD2 3.49Å; Y52-D191 VanDerWaalsContact CZ-OD2 3.27Å; Y52-D191 PolarHBondContact OH-OD1 3.2Å; Y52-D191 PolarHBondContact OH-OD2 3.16Å
53	M	85.9	Confident	86.3	Confident	89 Å²	89	64.1 Å²	64.1	44%	0.438	35%	0.347	S	S	.	.			trans	-122.2	76.6	-178.6	-59.6	-177.5	86.5	0	0	109.9	L51 A71 E73	L51-M53 PolarHBondContact O-N 2.78Å; L51-M53 VanDerWaalsContact O-N 3.08Å; M53-A71 HydrophobicContact CB-CB 4.01Å; M53-A71 WeakPolarHBondContact O-CB 3.37Å; M53-E73 HydrophobicContact CE-CG 3.83Å
54	P	88.2	Confident	86.2	Confident	3 Å²	3	71 Å²	71	2%	0.019	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-67.1	140.3	-176.4	29.4	-37.6	0	0	0	111.5	Y52 D56 S90 D191	Y52-P54 HydrophobicContact CD1-CG 4.25Å; Y52-P54 HydrophobicContact CE1-CB 4.17Å; Y52-P54 HydrophobicContact CE1-CG 3.55Å; Y52-P54 HydrophobicContact CE2-CB 4.14Å; Y52-P54 HydrophobicContact CE2-CG 4.35Å; Y52-P54 WeakPolarHBondContact O-CD 3.32Å; Y52-P54 WeakPolarHBondContact OH-CB 3.21Å; P54-D56 PolarHBondContact O-N 2.8Å; P54-S90 PolarHBondContact O-OG 2.89Å; P54-D191 WeakPolarHBondContact CG-OD2 3.48Å
55	V	88.7	Confident	86.1	Confident	45 Å²	45	75 Å²	75	27%	0.273	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-60.9	128.7	174.7	175.7	0	0	0	0	109.6	V33 C57 S90	V33-V55 HydrophobicContact CG1-CG1 4.32Å; V55-C57 PolarHBondContact O-N 3.27Å; V55-S90 PolarHBondContact O-N 3.47Å; V55-S90 PolarHBondContact O-OG 2.86Å
56	D	88.6	Confident	85.9	Confident	20 Å²	20	72.9 Å²	72.9	11%	0.107	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	120.3	173.5	-177.7	-28.5	0	0	0	108.9	P54 S68 R69 R79 S90	P54-D56 PolarHBondContact O-N 2.8Å; D56-S68 CarbonylContact O-C 3.43Å; D56-S68 VanDerWaalsContact O-CA 3.23Å; D56-S68 WeakPolarHBondContact O-CA 2.98Å; D56-R69 HydrophobicContact CB-CB 4.14Å; D56-R69 PolarHBondContact O-N 3.17Å; D56-R79 VanDerWaalsContact CG-NH1 3.35Å; D56-R79 IonicContact OD1-NH1 2.71Å; D56-R79 IonicContact OD2-CZ 2.79Å; D56-R79 IonicContact OD2-NH1 3.53Å; D56-R79 PolarHBondContact OD2-NH1 2.69Å; D56-R79 IonicContact OD2-NH2 2.87Å; D56-S90 WeakPolarHBondContact CA-OG 3.46Å; D56-S90 PolarHBondContact N-OG 2.76Å
57	C	90	Very high	85.8	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	149.6	-177.8	72.5	0	0	0	0	112.6	V33 V55 I66 I67 S90 G91 R92 G93	V33-C57 HydrophobicContact CG1-CB 3.94Å; V33-C57 HydrophobicContact CG2-CB 4.25Å; V55-C57 PolarHBondContact O-N 3.27Å; C57-I66 HydrophobicContact CB-CG2 3.77Å; C57-I67 WeakPolarHBondContact CA-O 3.31Å; C57-S90 PolarHBondContact N-O 2.8Å; C57-S90 PolarHBondContact SG-O 2.9Å; C57-S90 VanDerWaalsContact SG-O 3.39Å; C57-G91 CarbonylContact O-C 3.6Å; C57-R92 PolarHBondContact O-N 2.54Å; C57-G93 PolarHBondContact O-N 3.29Å
58	K	90.3	Very high	86	Confident	61 Å²	61	65.9 Å²	65.9	27%	0.265	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	150.9	171.4	68.6	178.8	-170.5	171.9	0	111.8	N60 I67 G93	K58-N60 PolarHBondContact O-N 3.36Å; K58-I67 HydrophobicContact CG-CD1 4.27Å; K58-I67 HydrophobicContact CG-CG1 3.89Å; K58-I67 PolarHBondContact N-O 2.8Å; K58-I67 WeakPolarHBondContact O-CG1 3.37Å; K58-I67 PolarHBondContact O-N 2.98Å; K58-G93 CarbonylContact C-O 3.57Å; K58-G93 WeakPolarHBondContact CA-O 3.27Å
59	W	88.6	Confident	85.9	Confident	77 Å²	77	66 Å²	66	29%	0.292	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	129.7	168.4	-176.7	-105.9	0	0	0	111.2	K64 I66 G93	W59-K64 HydrophobicContact CH2-CB 4.43Å; W59-K64 WeakPolarHBondContact CH2-O 3.34Å; W59-K64 HydrophobicContact CZ2-CB 4.27Å; W59-I66 HydrophobicContact CB-CD1 4.19Å; W59-I66 HydrophobicContact CE3-CD1 3.88Å; W59-I66 HydrophobicContact CE3-CG1 4.23Å; W59-G93 PolarHBondContact N-O 3.33Å
60	N	86.9	Confident	85.4	Confident	48 Å²	48	67 Å²	67	26%	0.257	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108.8	169.2	-176	-43.8	0	0	0	108.8	K58 S62 A63 K64 R65 I67	K58-N60 PolarHBondContact O-N 3.36Å; N60-S62 VanDerWaalsContact C-N 3.34Å; N60-S62 PolarHBondContact O-N 2.95Å; N60-S62 WeakPolarHBondContact OD1-CB 3.5Å; N60-S62 PolarHBondContact OD1-N 2.95Å; N60-A63 HydrophobicContact CB-CB 4.18Å; N60-A63 PolarHBondContact O-N 2.79Å; N60-A63 PolarHBondContact OD1-N 2.53Å; N60-K64 WeakPolarHBondContact O-CA 3.48Å; N60-K64 PolarHBondContact O-N 2.87Å; N60-R65 PolarHBondContact N-O 3.04Å; N60-R65 PolarHBondContact O-N 2.77Å; N60-I67 HydrophobicContact CB-CD1 4.04Å; N60-I67 HydrophobicContact CB-CG1 4.07Å; N60-I67 HydrophobicContact CB-CG2 3.94Å
61	S	83.3	Confident	85.2	Confident	84 Å²	84	65.1 Å²	65.1	59%	0.587	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-37.9	-178.2	-52.7	0	0	0	0	113	K64	S61-K64 WeakPolarHBondContact O-CG 3.44Å; S61-K64 PolarHBondContact O-N 2.84Å
62	S	86.7	Confident	84.6	Confident	120 Å²	120	66.7 Å²	66.7	84%	0.839	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-42.3	-179.7	-50.6	0	0	0	0	111.9	N60 K64	N60-S62 VanDerWaalsContact C-N 3.34Å; N60-S62 PolarHBondContact O-N 2.95Å; N60-S62 WeakPolarHBondContact OD1-CB 3.5Å; N60-S62 PolarHBondContact OD1-N 2.95Å; S62-K64 VanDerWaalsContact C-N 3.31Å
63	A	85.5	Confident	83.8	Confident	48 Å²	48	70.2 Å²	70.2	40%	0.397	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-6.2	178.2	0	0	0	0	0	113.2	N60 R65	N60-A63 HydrophobicContact CB-CB 4.18Å; N60-A63 PolarHBondContact O-N 2.79Å; N60-A63 PolarHBondContact OD1-N 2.53Å; A63-R65 HydrophobicContact CB-CG 3.82Å; A63-R65 PolarHBondContact O-N 2.66Å; A63-R65 VanDerWaalsContact O-N 3.15Å
64	K	86.1	Confident	82.9	Confident	170 Å²	170	67.1 Å²	67.1	74%	0.739	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	41.1	-174.1	-61.9	-175.5	177.8	-178.5	0	113.1	W59 N60 S61 S62	W59-K64 HydrophobicContact CH2-CB 4.43Å; W59-K64 WeakPolarHBondContact CH2-O 3.34Å; W59-K64 HydrophobicContact CZ2-CB 4.27Å; N60-K64 WeakPolarHBondContact O-CA 3.48Å; N60-K64 PolarHBondContact O-N 2.87Å; S61-K64 WeakPolarHBondContact O-CG 3.44Å; S61-K64 PolarHBondContact O-N 2.84Å; S62-K64 VanDerWaalsContact C-N 3.31Å
65	R	87.7	Confident	81.8	Confident	132 Å²	132	71.5 Å²	71.5	50%	0.498	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	160.3	179.9	66.7	-178.5	178.1	132.3	-5.1	111.9	D32 N60 A63 I67	D32-R65 IonicContact OD2-NH1 3.17Å; D32-R65 PolarHBondContact OD2-NH1 2.87Å; N60-R65 PolarHBondContact N-O 3.04Å; N60-R65 PolarHBondContact O-N 2.77Å; A63-R65 HydrophobicContact CB-CG 3.82Å; A63-R65 PolarHBondContact O-N 2.66Å; A63-R65 VanDerWaalsContact O-N 3.15Å; R65-I67 HydrophobicContact CG-CG2 4.39Å
66	I	86	Confident	80.9	Confident	9 Å²	9	76.1 Å²	76.1	5%	0.046	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	134.1	166	-60	-67	0	0	0	108.5	Y27 V33 C57 W59 K94	Y27-I66 HydrophobicContact CD1-CD1 4.34Å; Y27-I66 HydrophobicContact CD1-CG1 4.16Å; Y27-I66 HydrophobicContact CD1-CG2 4.42Å; Y27-I66 HydrophobicContact CE1-CD1 3.88Å; Y27-I66 HydrophobicContact CE1-CG1 4.18Å; V33-I66 HydrophobicContact CB-CG2 4.4Å; V33-I66 HydrophobicContact CG2-CG2 3.66Å; C57-I66 HydrophobicContact CB-CG2 3.77Å; W59-I66 HydrophobicContact CB-CD1 4.19Å; W59-I66 HydrophobicContact CE3-CD1 3.88Å; W59-I66 HydrophobicContact CE3-CG1 4.23Å; I66-K94 HydrophobicContact CD1-CB 4.43Å
67	I	85.4	Confident	80.3	Confident	42 Å²	42	76.8 Å²	76.8	22%	0.215	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	145.3	169.1	60	169.5	0	0	0	109.1	C57 K58 N60 R65	C57-I67 WeakPolarHBondContact CA-O 3.31Å; K58-I67 HydrophobicContact CG-CD1 4.27Å; K58-I67 HydrophobicContact CG-CG1 3.89Å; K58-I67 PolarHBondContact N-O 2.8Å; K58-I67 WeakPolarHBondContact O-CG1 3.37Å; K58-I67 PolarHBondContact O-N 2.98Å; N60-I67 HydrophobicContact CB-CD1 4.04Å; N60-I67 HydrophobicContact CB-CG1 4.07Å; N60-I67 HydrophobicContact CB-CG2 3.94Å; R65-I67 HydrophobicContact CG-CG2 4.39Å
68	S	86	Confident	80.1	Confident	58 Å²	58	86.7 Å²	86.7	41%	0.406	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	155.4	173.4	48	0	0	0	0	111.8	D56	D56-S68 CarbonylContact O-C 3.43Å; D56-S68 VanDerWaalsContact O-CA 3.23Å; D56-S68 WeakPolarHBondContact O-CA 2.98Å
69	R	78.8	Confident	80.1	Confident	143 Å²	143	86.1 Å²	86.1	54%	0.54	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	165.8	164	-67.7	174.3	170.9	-172.2	-8.7	107.3	D56	D56-R69 HydrophobicContact CB-CB 4.14Å; D56-R69 PolarHBondContact O-N 3.17Å
70	G	74.5	Confident	80.4	Confident	60 Å²	60	85.1 Å²	85.1	62%	0.619	46%	0.459	S	S	*	.			trans	-52	151.3	177.7	0	0	0	0	0	112.5
71	A	74.2	Confident	80.7	Confident	48 Å²	48	88 Å²	88	40%	0.397	47%	0.469	S	S	.	.			trans	-71.1	146.5	175.6	0	0	0	0	0	110.5	M53	M53-A71 HydrophobicContact CB-CB 4.01Å; M53-A71 WeakPolarHBondContact O-CB 3.37Å
72	K	69.1	Low	81.3	Confident	131 Å²	131	84 Å²	84	57%	0.57	44%	0.441	S	S	*	.			trans	-128.4	152.8	173.7	-69.4	-170.3	175.6	-167.4	0	109.5
73	E	68.6	Low	81.6	Confident	87 Å²	87	82 Å²	82	41%	0.407	43%	0.425	S	S	.	.			trans	-65.6	136.2	171.6	-67.5	-168.1	-176.1	0	0	110.6	M53 S75 E76	M53-E73 HydrophobicContact CE-CG 3.83Å; E73-S75 WeakPolarHBondContact CB-OG 3.41Å; E73-S75 PolarHBondContact O-N 2.51Å; E73-S75 PolarHBondContact OE2-OG 3.46Å; E73-E76 PolarHBondContact O-N 3.03Å
74	P	67.7	Low	81.9	Confident	23 Å²	23	80.5 Å²	80.5	15%	0.149	41%	0.41	C	S	.	.	G	3₁₀ helix	trans	-63.6	-24.2	178.2	-17.4	24.6	0	0	0	113.7	W45 Y52 E76 D77	W45-P74 HydrophobicContact CZ3-CB 4.24Å; Y52-P74 HydrophobicContact CD1-CG 3.61Å; Y52-P74 HydrophobicContact CE1-CG 4.18Å; Y52-P74 WeakPolarHBondContact O-CD 3.3Å; Y52-P74 WeakPolarHBondContact O-CG 3.39Å; P74-E76 VanDerWaalsContact C-N 3.27Å; P74-E76 PolarHBondContact O-N 2.91Å; P74-D77 WeakPolarHBondContact O-CB 3.3Å; P74-D77 PolarHBondContact O-N 3.16Å
75	S	65.1	Low	82.3	Confident	95 Å²	95	72.5 Å²	72.5	66%	0.664	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-62.5	-34.1	177.8	53.2	0	0	0	0	112.2	E73 D77	E73-S75 WeakPolarHBondContact CB-OG 3.41Å; E73-S75 PolarHBondContact O-N 2.51Å; E73-S75 PolarHBondContact OE2-OG 3.46Å; S75-D77 VanDerWaalsContact C-N 3.34Å
76	E	69.5	Low	82.5	Confident	142 Å²	142	66.9 Å²	66.9	66%	0.664	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-86.4	-9.3	178.3	-57.9	-170.5	152.5	0	0	112.9	E73 P74 K78	E73-E76 PolarHBondContact O-N 3.03Å; P74-E76 VanDerWaalsContact C-N 3.27Å; P74-E76 PolarHBondContact O-N 2.91Å; E76-K78 PolarHBondContact O-N 3.3Å
77	D	77	Confident	82.7	Confident	34 Å²	34	67.6 Å²	67.6	18%	0.182	36%	0.358	C	S	.	.			trans	-82.9	106.4	-173.3	-166.2	0.2	0	0	0	111.9	P74 S75 R79 N192	P74-D77 WeakPolarHBondContact O-CB 3.3Å; P74-D77 PolarHBondContact O-N 3.16Å; S75-D77 VanDerWaalsContact C-N 3.34Å; D77-R79 VanDerWaalsContact C-N 3.26Å; D77-R79 PolarHBondContact O-N 3.02Å; D77-R79 WeakPolarHBondContact OD1-CB 3.29Å; D77-R79 WeakPolarHBondContact OD1-CD 3.39Å; D77-R79 WeakPolarHBondContact OD1-CG 3.41Å; D77-R79 IonicContact OD1-CZ 3.14Å; D77-R79 PolarHBondContact OD1-N 3.22Å; D77-R79 IonicContact OD1-NE 2.71Å; D77-R79 PolarHBondContact OD1-NE 2.96Å; D77-R79 IonicContact OD1-NH2 3.57Å; D77-R79 IonicContact OD2-CZ 3.34Å; D77-R79 IonicContact OD2-NE 3.64Å; D77-R79 PolarHBondContact OD2-NE 2.88Å; D77-R79 IonicContact OD2-NH2 3.69Å; D77-R79 PolarHBondContact OD2-NH2 2.86Å; D77-N192 PolarHBondContact OD2-ND2 2.82Å; D77-N192 PolarHBondContact OD2-OD1 2.74Å
78	K	85.5	Confident	82.9	Confident	209 Å²	209	65.6 Å²	65.6	91%	0.909	35%	0.348	S	S	*	.			trans	-82.7	0.7	176.6	-60.8	-175.3	-179.1	-178.6	0	113.6	E76	E76-K78 PolarHBondContact O-N 3.3Å
79	R	91	Very high	83.1	Confident	49 Å²	49	62.9 Å²	62.9	19%	0.185	33%	0.328	C	S	.	.	S	Bend	trans	-68.9	160.2	178.1	-65.5	176.9	-68.6	-168.2	1.3	110.5	D56 D77 L98 N192	D56-R79 VanDerWaalsContact CG-NH1 3.35Å; D56-R79 IonicContact OD1-NH1 2.71Å; D56-R79 IonicContact OD2-CZ 2.79Å; D56-R79 IonicContact OD2-NH1 3.53Å; D56-R79 PolarHBondContact OD2-NH1 2.69Å; D56-R79 IonicContact OD2-NH2 2.87Å; D77-R79 VanDerWaalsContact C-N 3.26Å; D77-R79 PolarHBondContact O-N 3.02Å; D77-R79 WeakPolarHBondContact OD1-CB 3.29Å; D77-R79 WeakPolarHBondContact OD1-CD 3.39Å; D77-R79 WeakPolarHBondContact OD1-CG 3.41Å; D77-R79 IonicContact OD1-CZ 3.14Å; D77-R79 PolarHBondContact OD1-N 3.22Å; D77-R79 IonicContact OD1-NE 2.71Å; D77-R79 PolarHBondContact OD1-NE 2.96Å; D77-R79 IonicContact OD1-NH2 3.57Å; D77-R79 IonicContact OD2-CZ 3.34Å; D77-R79 IonicContact OD2-NE 3.64Å; D77-R79 PolarHBondContact OD2-NE 2.88Å; D77-R79 IonicContact OD2-NH2 3.69Å; D77-R79 PolarHBondContact OD2-NH2 2.86Å; R79-L98 HydrophobicContact CB-CD1 4.43Å; R79-L98 HydrophobicContact CG-CD1 3.85Å; R79-N192 HydrophobicContact CB-CB 4.03Å; R79-N192 VanDerWaalsContact CZ-OD1 3.28Å; R79-N192 PolarHBondContact NE-OD1 3.19Å; R79-N192 PolarHBondContact NH2-OD1 2.72Å
80	P	93.8	Very high	83.8	Confident	56 Å²	56	56.2 Å²	56.2	36%	0.364	30%	0.304	S	S	.	.			trans	-50.8	146.8	172.3	-26.7	35.7	0	0	0	111.4	L98 N192 W194	P80-L98 HydrophobicContact CG-CB 4.47Å; P80-N192 VanDerWaalsContact O-CA 3.24Å; P80-N192 WeakPolarHBondContact O-CA 2.94Å; P80-N192 PolarHBondContact O-ND2 2.71Å; P80-W194 HydrophobicContact CB-CH2 3.9Å; P80-W194 HydrophobicContact CB-CZ3 3.85Å
81	K	93.9	Very high	84.6	Confident	108 Å²	108	53.4 Å²	53.4	47%	0.47	28%	0.275	S	S	.	.			trans	-105.5	127.6	177.1	-73.2	-176.2	178.8	-177.9	0	109.1	W45 W194	W45-K81 HydrophobicContact CD2-CB 4.17Å; W45-K81 HydrophobicContact CD2-CD 3.85Å; W45-K81 HydrophobicContact CD2-CG 4.15Å; W45-K81 HydrophobicContact CE3-CD 4.01Å; W45-K81 HydrophobicContact CE3-CG 4.44Å; W45-K81 HydrophobicContact CG-CB 4.33Å; W45-K81 HydrophobicContact CG-CD 4.08Å; W45-K81 HydrophobicContact CZ2-CB 4.16Å; W45-K81 HydrophobicContact CZ2-CG 4.23Å; K81-W194 WeakPolarHBondContact O-CH2 3.24Å; K81-W194 WeakPolarHBondContact O-CZ3 3.36Å
82	N	94.7	Very high	85.4	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.27	C	S	.	.			trans	-59.7	122.6	179.4	-177.3	-19	0	0	0	110.4	W45 L84 G85 Q87 T190 D191 W194	W45-N82 VanDerWaalsContact CD1-O 3.29Å; W45-N82 PolarHBondContact NE1-O 3.15Å; N82-L84 PolarHBondContact O-N 3.02Å; N82-L84 VanDerWaalsContact O-N 3.12Å; N82-L84 VanDerWaalsContact OD1-CB 3.31Å; N82-L84 WeakPolarHBondContact OD1-CB 3.4Å; N82-L84 PolarHBondContact OD1-N 3.48Å; N82-G85 WeakPolarHBondContact CB-O 3.23Å; N82-G85 PolarHBondContact O-N 3.13Å; N82-Q87 VanDerWaalsContact ND2-CG 3.34Å; N82-Q87 WeakPolarHBondContact ND2-CG 3.14Å; N82-T190 WeakPolarHBondContact CB-O 3.4Å; N82-T190 PolarHBondContact ND2-O 3.23Å; N82-D191 WeakPolarHBondContact CB-O 3.2Å; N82-D191 PolarHBondContact N-O 2.89Å; N82-W194 VanDerWaalsContact CA-CE3 3.46Å; N82-W194 HydrophobicContact CB-CD2 4.47Å; N82-W194 HydrophobicContact CB-CE3 3.87Å; N82-W194 HydrophobicContact CB-CZ3 4.43Å
83	P	94.1	Very high	86.4	Confident	77 Å²	77	48.6 Å²	48.6	50%	0.5	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-19.6	-178.5	25.7	-34.9	0	0	0	113.1	G85 P183 W194	P83-G85 PolarHBondContact O-N 2.86Å; P83-P183 HydrophobicContact CB-CG 4.13Å; P83-P183 HydrophobicContact CG-CB 3.76Å; P83-P183 HydrophobicContact CG-CG 3.32Å; P83-W194 VanDerWaalsContact CD-CD2 3.41Å; P83-W194 HydrophobicContact CG-CD2 4.28Å; P83-W194 HydrophobicContact CG-CG 4.42Å; P83-W194 HydrophobicContact CG-CZ2 4.19Å
84	L	91.9	Very high	87.3	Confident	17 Å²	17	48.5 Å²	48.5	9%	0.089	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	3.1	174.1	-54.9	-179.7	0	0	0	113.4	N82 P183 I184 R185	N82-L84 PolarHBondContact O-N 3.02Å; N82-L84 VanDerWaalsContact O-N 3.12Å; N82-L84 VanDerWaalsContact OD1-CB 3.31Å; N82-L84 WeakPolarHBondContact OD1-CB 3.4Å; N82-L84 PolarHBondContact OD1-N 3.48Å; L84-P183 HydrophobicContact CD1-CB 4.14Å; L84-P183 HydrophobicContact CD2-CB 4.01Å; L84-P183 HydrophobicContact CG-CB 3.93Å; L84-I184 WeakPolarHBondContact CD1-O 3.37Å; L84-R185 HydrophobicContact CD1-CG 4.09Å
85	G	92.8	Very high	88.3	Confident	2 Å²	2	47.8 Å²	47.8	2%	0.021	24%	0.236	C	C	.	.			trans	88.5	-170.6	-177.7	0	0	0	0	0	113.6	Q43 N82 P83 Q87	Q43-G85 CarbonylContact O-C 3.46Å; Q43-G85 WeakPolarHBondContact O-CA 3.46Å; N82-G85 WeakPolarHBondContact CB-O 3.23Å; N82-G85 PolarHBondContact O-N 3.13Å; P83-G85 PolarHBondContact O-N 2.86Å; G85-Q87 PolarHBondContact O-NE2 2.9Å
86	R	91.9	Very high	89.2	Confident	15 Å²	15	48.9 Å²	48.9	6%	0.057	23%	0.23	C	C	.	.			trans	-63.9	135.2	176.7	-63.9	171.8	-176	94.6	6.6	110.6	L38 D42 Q43 P44 W45 E47 Y52 D191	L38-R86 HydrophobicContact CD1-CB 3.37Å; L38-R86 HydrophobicContact CD1-CG 4.21Å; D42-R86 PolarHBondContact O-NH1 3.44Å; Q43-R86 PolarHBondContact O-N 3.19Å; P44-R86 PolarHBondContact O-NH1 2.75Å; W45-R86 HydrophobicContact CD2-CG 4.33Å; W45-R86 HydrophobicContact CE3-CG 4.01Å; W45-R86 HydrophobicContact CH2-CG 3.82Å; W45-R86 HydrophobicContact CZ2-CG 4.14Å; W45-R86 HydrophobicContact CZ3-CG 3.75Å; E47-R86 PolarHBondContact O-NH1 2.84Å; E47-R86 PolarHBondContact O-NH2 2.92Å; Y52-R86 VanDerWaalsContact CD1-CD 3.48Å; Y52-R86 HydrophobicContact CD1-CG 4.19Å; Y52-R86 HydrophobicContact CE1-CB 4.01Å; Y52-R86 VanDerWaalsContact CE1-CD 3.44Å; Y52-R86 HydrophobicContact CE1-CG 3.64Å; R86-D191 WeakPolarHBondContact CA-OD1 3.48Å
87	Q	90.7	Very high	89.9	Confident	24 Å²	24	43.6 Å²	43.6	11%	0.112	21%	0.205	C	C	.	.			trans	-109.7	-6.9	-179.3	-54.5	-57.9	-62.3	0	0	112	Q35 N82 G85 N189 T190 D191	Q35-Q87 VanDerWaalsContact CD-O 3.31Å; Q35-Q87 WeakPolarHBondContact CG-O 3.48Å; Q35-Q87 PolarHBondContact NE2-O 3.13Å; N82-Q87 VanDerWaalsContact ND2-CG 3.34Å; N82-Q87 WeakPolarHBondContact ND2-CG 3.14Å; G85-Q87 PolarHBondContact O-NE2 2.9Å; Q87-N189 HydrophobicContact CG-CB 3.97Å; Q87-T190 VanDerWaalsContact CG-C 3.49Å; Q87-T190 WeakPolarHBondContact CG-O 3.29Å; Q87-D191 PolarHBondContact N-OD1 2.8Å
88	G	90.1	Very high	90.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.214	C	C	.	.	S	Bend	trans	92.8	-1.6	178.4	0	0	0	0	0	115.4	V36 Y52 D191	V36-G88 PolarHBondContact N-O 2.82Å; V36-G88 WeakPolarHBondContact O-CA 3.37Å; Y52-G88 WeakPolarHBondContact OH-CA 3.46Å; Y52-G88 PolarHBondContact OH-N 2.86Å; G88-D191 PolarHBondContact N-OD1 2.89Å
89	V	90.9	Very high	91	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.			trans	-142.5	144.6	174	-70.6	0	0	0	0	108.8	Y27 V33 Q35 T190 D191	Y27-V89 HydrophobicContact CD2-CG1 4.5Å; Y27-V89 HydrophobicContact CD2-CG2 3.75Å; Y27-V89 HydrophobicContact CE2-CG2 3.98Å; Y27-V89 HydrophobicContact CG-CG2 4.45Å; V33-V89 HydrophobicContact CG1-CG1 3.95Å; Q35-V89 HydrophobicContact CB-CG1 3.93Å; Q35-V89 HydrophobicContact CG-CG1 4.15Å; Q35-V89 HydrophobicContact CG-CG2 4.49Å; V89-T190 HydrophobicContact CG2-CG2 3.85Å; V89-T190 WeakPolarHBondContact O-CA 3.45Å; V89-T190 WeakPolarHBondContact O-CB 3.44Å; V89-D191 WeakPolarHBondContact O-CB 3.46Å; V89-D191 VanDerWaalsContact O-CG 3.3Å; V89-D191 PolarHBondContact O-N 3.21Å
90	S	91.8	Very high	91	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	175.9	178.2	70	0	0	0	0	111.8	P54 V55 D56 C57 N192	P54-S90 PolarHBondContact O-OG 2.89Å; V55-S90 PolarHBondContact O-N 3.47Å; V55-S90 PolarHBondContact O-OG 2.86Å; D56-S90 WeakPolarHBondContact CA-OG 3.46Å; D56-S90 PolarHBondContact N-OG 2.76Å; C57-S90 PolarHBondContact N-O 2.8Å; C57-S90 PolarHBondContact SG-O 2.9Å; C57-S90 VanDerWaalsContact SG-O 3.39Å; S90-N192 WeakPolarHBondContact CB-OD1 3.3Å
91	G	91.7	Very high	90.7	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	80.8	-159.2	-177.8	0	0	0	0	0	112.9	C57 T190 N192	C57-G91 CarbonylContact O-C 3.6Å; G91-T190 WeakPolarHBondContact O-CB 2.99Å; G91-T190 PolarHBondContact O-OG1 2.92Å; G91-N192 PolarHBondContact N-OD1 3.35Å
92	R	90.9	Very high	90.2	Very high	78 Å²	78	28.5 Å²	28.5	29%	0.294	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-22	-171.2	-174.6	175.9	66.5	156.1	2.6	112.7	C57 K94 F95 Q96 L98	C57-R92 PolarHBondContact O-N 2.54Å; R92-K94 PolarHBondContact O-N 3.2Å; R92-F95 WeakPolarHBondContact CD-O 3.45Å; R92-F95 HydrophobicContact CG-CB 4.26Å; R92-F95 WeakPolarHBondContact CG-O 3.19Å; R92-F95 PolarHBondContact NE-O 3.21Å; R92-F95 WeakPolarHBondContact O-CB 2.94Å; R92-F95 PolarHBondContact O-N 3.43Å; R92-F95 VanDerWaalsContact O-N 3.13Å; R92-Q96 VanDerWaalsContact CD-C 3.49Å; R92-Q96 WeakPolarHBondContact CD-O 3.34Å; R92-Q96 PolarHBondContact NH1-O 2.77Å; R92-L98 HydrophobicContact CB-CD2 4.03Å
93	G	91.1	Very high	89.4	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.1	-132.1	-173.1	0	0	0	0	0	111.4	Y27 C57 K58 W59 F95	Y27-G93 WeakPolarHBondContact OH-CA 3.42Å; C57-G93 PolarHBondContact O-N 3.29Å; K58-G93 CarbonylContact C-O 3.57Å; K58-G93 WeakPolarHBondContact CA-O 3.27Å; W59-G93 PolarHBondContact N-O 3.33Å; G93-F95 VanDerWaalsContact C-N 3.34Å
94	K	87.9	Confident	88.6	Confident	86 Å²	86	26 Å²	26	37%	0.374	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-11.4	179.3	-153.7	-177.4	-164.3	147.8	0	114.3	Y27 D28 I66 R92 H188	Y27-K94 PolarHBondContact OH-N 3.08Å; D28-K94 VanDerWaalsContact CG-NZ 3.33Å; D28-K94 IonicContact OD1-NZ 3.67Å; D28-K94 PolarHBondContact OD1-NZ 2.98Å; D28-K94 VanDerWaalsContact OD1-NZ 3.14Å; D28-K94 WeakPolarHBondContact OD2-CD 3.19Å; D28-K94 WeakPolarHBondContact OD2-CE 3.41Å; D28-K94 IonicContact OD2-NZ 3.79Å; D28-K94 PolarHBondContact OD2-NZ 2.89Å; I66-K94 HydrophobicContact CD1-CB 4.43Å; R92-K94 PolarHBondContact O-N 3.2Å; K94-H188 HydrophobicContact CB-CB 4.49Å
95	F	88.1	Confident	88	Confident	8 Å²	8	25.5 Å²	25.5	4%	0.035	12%	0.118	C	C	.	.	S	Bend	trans	-73.8	167.1	-172.8	-69.2	-51.3	0	0	0	113.9	R92 G93 N101 W134 H188 N189 A193 L195	R92-F95 WeakPolarHBondContact CD-O 3.45Å; R92-F95 HydrophobicContact CG-CB 4.26Å; R92-F95 WeakPolarHBondContact CG-O 3.19Å; R92-F95 PolarHBondContact NE-O 3.21Å; R92-F95 WeakPolarHBondContact O-CB 2.94Å; R92-F95 PolarHBondContact O-N 3.43Å; R92-F95 VanDerWaalsContact O-N 3.13Å; G93-F95 VanDerWaalsContact C-N 3.34Å; F95-N101 WeakPolarHBondContact CB-OD1 3.15Å; F95-N101 HydrophobicContact CD1-CB 4.1Å; F95-N101 HydrophobicContact CG-CB 4.36Å; F95-W134 HydrophobicContact CD1-CH2 4.12Å; F95-W134 AromaticContact CD1-CZ3 3.69Å; F95-W134 HydrophobicContact CD1-CZ3 3.69Å; F95-W134 AromaticContact CE1-CH2 3.61Å; F95-W134 HydrophobicContact CE1-CH2 3.61Å; F95-W134 AromaticContact CE1-CZ3 3.49Å; F95-W134 HydrophobicContact CE1-CZ3 3.49Å; F95-W134 VanDerWaalsContact CE1-CZ3 3.49Å; F95-H188 HydrophobicContact CE1-CB 4.16Å; F95-H188 HydrophobicContact CE2-CB 4.25Å; F95-H188 WeakPolarHBondContact CE2-O 3.14Å; F95-H188 HydrophobicContact CZ-CB 3.83Å; F95-N189 WeakPolarHBondContact CZ-OD1 3.39Å; F95-A193 HydrophobicContact CB-CB 4.25Å; F95-A193 HydrophobicContact CD2-CB 3.65Å; F95-A193 HydrophobicContact CE2-CB 4.47Å; F95-A193 WeakPolarHBondContact CE2-O 3.27Å; F95-A193 HydrophobicContact CG-CB 4.41Å; F95-L195 HydrophobicContact CE1-CB 4.34Å; F95-L195 HydrophobicContact CZ-CB 4.04Å
96	Q	82.9	Confident	87.5	Confident	117 Å²	117	25.4 Å²	25.4	55%	0.547	12%	0.117	S	C	.	.	S	Bend	trans	-80	-29.8	-177.6	-68.2	-169.7	9.7	0	0	112.6	R92 N101	R92-Q96 VanDerWaalsContact CD-C 3.49Å; R92-Q96 WeakPolarHBondContact CD-O 3.34Å; R92-Q96 PolarHBondContact NH1-O 2.77Å; Q96-N101 PolarHBondContact N-OD1 3.03Å
97	H	86.1	Confident	87.2	Confident	31 Å²	31	25 Å²	25	14%	0.144	12%	0.117	C	C	.	.	S	Bend	trans	-149.1	167.6	177.1	64.4	89	0	0	0	112	E100 N101 P136	H97-E100 VanDerWaalsContact CE1-C 3.47Å; H97-E100 PolarHBondContact CE1-O 2.89Å; H97-E100 PolarHBondContact NE2-O 3.48Å; H97-N101 PolarHBondContact CD2-OD1 3.43Å; H97-N101 VanDerWaalsContact CD2-OD1 3.25Å; H97-N101 PolarHBondContact N-OD1 3.45Å; H97-N101 VanDerWaalsContact NE2-CG 3.34Å; H97-N101 PolarHBondContact NE2-OD1 2.89Å; H97-N101 PolarHBondContact O-ND2 3.48Å; H97-P136 PolarHBondContact CD2-O 3.04Å; H97-P136 PolarHBondContact NE2-O 3.16Å
98	L	91.4	Very high	87	Confident	68 Å²	68	23.9 Å²	23.9	36%	0.356	11%	0.111	S	C	.	.	S	Bend	trans	-72.4	148.3	169.9	-64.5	169.5	0	0	0	109.6	R79 P80 R92 N192	R79-L98 HydrophobicContact CB-CD1 4.43Å; R79-L98 HydrophobicContact CG-CD1 3.85Å; P80-L98 HydrophobicContact CG-CB 4.47Å; R92-L98 HydrophobicContact CB-CD2 4.03Å; L98-N192 CarbonylContact C-O 3.57Å; L98-N192 HydrophobicContact CD2-CB 3.78Å
99	G	93.4	Very high	87	Confident	6 Å²	6	24.2 Å²	24.2	6%	0.062	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	89.1	-149.5	-174.4	0	0	0	0	0	112.8	N101 N192 A193 W194	G99-N101 PolarHBondContact O-N 3.25Å; G99-N101 PolarHBondContact O-ND2 2.86Å; G99-N101 VanDerWaalsContact O-ND2 3.13Å; G99-N192 PolarHBondContact N-O 2.73Å; G99-A193 VanDerWaalsContact O-CA 3.3Å; G99-A193 WeakPolarHBondContact O-CA 3.43Å; G99-W194 PolarHBondContact O-N 3.28Å
100	E	90.9	Very high	86.9	Confident	63 Å²	63	25.1 Å²	25.1	29%	0.294	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	110.2	-170.6	-173.4	173.7	-164	0	0	113.3	H97 P138 W194 S196	H97-E100 VanDerWaalsContact CE1-C 3.47Å; H97-E100 PolarHBondContact CE1-O 2.89Å; H97-E100 PolarHBondContact NE2-O 3.48Å; E100-P138 HydrophobicContact CB-CG 3.9Å; E100-P138 HydrophobicContact CG-CG 3.51Å; E100-P138 WeakPolarHBondContact O-CD 3.41Å; E100-P138 VanDerWaalsContact OE2-CG 3.3Å; E100-P138 WeakPolarHBondContact OE2-CG 3.43Å; E100-W194 HydrophobicContact CB-CZ2 3.84Å; E100-S196 VanDerWaalsContact CD-OG 3.25Å; E100-S196 WeakPolarHBondContact CG-OG 3.07Å; E100-S196 WeakPolarHBondContact OE1-CB 3.3Å; E100-S196 PolarHBondContact OE1-OG 3.17Å
101	N	88.3	Confident	86.9	Confident	3 Å²	3	29.8 Å²	29.8	2%	0.016	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.4	174.7	-68.1	-110.4	0	0	0	108.7	F95 Q96 H97 G99 W194 L195 S196	F95-N101 WeakPolarHBondContact CB-OD1 3.15Å; F95-N101 HydrophobicContact CD1-CB 4.1Å; F95-N101 HydrophobicContact CG-CB 4.36Å; Q96-N101 PolarHBondContact N-OD1 3.03Å; H97-N101 PolarHBondContact CD2-OD1 3.43Å; H97-N101 VanDerWaalsContact CD2-OD1 3.25Å; H97-N101 PolarHBondContact N-OD1 3.45Å; H97-N101 VanDerWaalsContact NE2-CG 3.34Å; H97-N101 PolarHBondContact NE2-OD1 2.89Å; H97-N101 PolarHBondContact O-ND2 3.48Å; G99-N101 PolarHBondContact O-N 3.25Å; G99-N101 PolarHBondContact O-ND2 2.86Å; G99-N101 VanDerWaalsContact O-ND2 3.13Å; N101-W194 PolarHBondContact N-O 2.98Å; N101-L195 CarbonylContact O-C 3.52Å; N101-L195 WeakPolarHBondContact O-CA 3.35Å; N101-L195 WeakPolarHBondContact O-CD1 3.42Å; N101-S196 PolarHBondContact O-N 3.24Å
102	A	81.8	Confident	86.9	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	145.3	-166.7	0	0	0	0	0	113	I135 P138 F141 S196	A102-I135 HydrophobicContact CB-CB 3.9Å; A102-I135 HydrophobicContact CB-CG2 4.04Å; A102-I135 WeakPolarHBondContact CB-O 2.93Å; A102-I135 PolarHBondContact N-O 3.25Å; A102-I135 PolarHBondContact O-N 2.78Å; A102-P138 HydrophobicContact CB-CG 4.38Å; A102-F141 HydrophobicContact CB-CD1 4.22Å; A102-F141 HydrophobicContact CB-CE1 3.48Å; A102-F141 VanDerWaalsContact CB-CE1 3.48Å; A102-F141 HydrophobicContact CB-CE2 3.93Å; A102-F141 HydrophobicContact CB-CZ 3.31Å; A102-S196 CarbonylContact C-O 3.58Å; A102-S196 WeakPolarHBondContact CA-O 3.23Å
103	F	78.1	Confident	86.8	Confident	25 Å²	25	31.6 Å²	31.6	11%	0.11	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	135.3	175.5	-170.3	-87.6	0	0	0	110.2	P131 L132 W134 F141 L195 S196 I197 R198	F103-P131 HydrophobicContact CZ-CB 4.09Å; F103-L132 WeakPolarHBondContact CD2-O 3.48Å; F103-L132 WeakPolarHBondContact CE2-O 3.27Å; F103-L132 WeakPolarHBondContact CZ-O 3.38Å; F103-W134 HydrophobicContact CD2-CD2 4.46Å; F103-F141 VanDerWaalsContact O-CE1 3.31Å; F103-F141 WeakPolarHBondContact O-CE1 3.45Å; F103-L195 HydrophobicContact CB-CD1 3.73Å; F103-S196 PolarHBondContact N-O 3.1Å; F103-I197 HydrophobicContact CB-CG2 4.2Å; F103-I197 HydrophobicContact CD1-CG2 4.33Å; F103-I197 CarbonylContact O-C 3.56Å; F103-I197 WeakPolarHBondContact O-CA 3.5Å; F103-R198 PolarHBondContact O-N 3.5Å
104	V	78.5	Confident	86.8	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	141.4	178.9	-70.7	0	0	0	0	110.2	L132 I135 F141 R198	V104-L132 HydrophobicContact CG2-CB 3.92Å; V104-I135 HydrophobicContact CB-CD1 4.31Å; V104-I135 HydrophobicContact CG1-CD1 3.5Å; V104-I135 HydrophobicContact CG2-CD1 3.84Å; V104-I135 HydrophobicContact CG2-CG1 4.36Å; V104-F141 HydrophobicContact CG1-CD1 3.42Å; V104-F141 VanDerWaalsContact CG1-CD1 3.42Å; V104-F141 HydrophobicContact CG1-CE1 3.71Å; V104-R198 HydrophobicContact CG1-CB 4.41Å
105	L	79.8	Confident	87	Confident	6 Å²	6	39.7 Å²	39.7	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	79.6	174.9	-177.1	75	0	0	0	107.5	R198 F199 S200 Y236 L244	L105-R198 PolarHBondContact N-O 3.17Å; L105-F199 HydrophobicContact CB-CB 4.5Å; L105-F199 HydrophobicContact CB-CD2 4.46Å; L105-F199 HydrophobicContact CD2-CB 4.32Å; L105-F199 HydrophobicContact CD2-CD2 3.79Å; L105-F199 HydrophobicContact CD2-CE2 4.25Å; L105-F199 HydrophobicContact CD2-CG 3.99Å; L105-F199 HydrophobicContact CG-CD2 4.15Å; L105-F199 WeakPolarHBondContact O-CA 3.19Å; L105-F199 VanDerWaalsContact O-CD2 3.3Å; L105-F199 WeakPolarHBondContact O-CD2 3.49Å; L105-S200 PolarHBondContact O-N 2.9Å; L105-Y236 HydrophobicContact CD1-CE1 3.81Å; L105-Y236 HydrophobicContact CD2-CD1 3.2Å; L105-Y236 HydrophobicContact CD2-CE1 3.35Å; L105-Y236 HydrophobicContact CD2-CG 3.94Å; L105-Y236 HydrophobicContact CG-CD1 4.42Å; L105-Y236 HydrophobicContact CG-CE1 4.2Å; L105-L244 HydrophobicContact CD2-CD2 4.35Å
106	P	82.4	Confident	87.3	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	139.7	173.1	35.7	-36	0	0	0	109.7	I108 L132 V146 S200 I202	P106-I108 HydrophobicContact CB-CG1 4.42Å; P106-L132 HydrophobicContact CG-CD1 3.12Å; P106-L132 HydrophobicContact CG-CG 4.25Å; P106-V146 HydrophobicContact CB-CG1 4.05Å; P106-V146 HydrophobicContact CG-CB 4.12Å; P106-V146 HydrophobicContact CG-CG1 3.93Å; P106-S200 CarbonylContact C-O 3.49Å; P106-S200 WeakPolarHBondContact CA-O 3.27Å; P106-I202 HydrophobicContact CB-CD1 3.92Å; P106-I202 HydrophobicContact CB-CG1 4.42Å
107	V	85.3	Confident	87.7	Confident	7 Å²	7	35.3 Å²	35.3	4%	0.042	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	103	167.1	172.1	0	0	0	0	106.5	V109 V118 F199 S200 V201 I202 L229 I232	V107-V109 HydrophobicContact CG1-CG1 3.98Å; V107-V118 HydrophobicContact CG1-CG2 3.81Å; V107-F199 HydrophobicContact CB-CE2 4.38Å; V107-F199 HydrophobicContact CG2-CD2 4.49Å; V107-F199 HydrophobicContact CG2-CE2 3.62Å; V107-F199 HydrophobicContact CG2-CZ 4.44Å; V107-S200 PolarHBondContact N-O 2.95Å; V107-V201 HydrophobicContact CB-CG2 4.13Å; V107-V201 HydrophobicContact CG1-CG2 4.46Å; V107-V201 CarbonylContact O-C 3.48Å; V107-V201 VanDerWaalsContact O-CA 3.27Å; V107-V201 WeakPolarHBondContact O-CA 3.28Å; V107-V201 WeakPolarHBondContact O-CG1 3.34Å; V107-I202 PolarHBondContact O-N 3.12Å; V107-L229 HydrophobicContact CG1-CD1 4.22Å; V107-I232 HydrophobicContact CG1-CG2 4.31Å; V107-I232 HydrophobicContact CG2-CG2 3.88Å
108	I	85.6	Confident	87.8	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	119.3	-177.8	-49.6	159.9	0	0	0	108	P106 V118 V119 V146 L150 F171 I202 D204 M210 W221	P106-I108 HydrophobicContact CB-CG1 4.42Å; I108-V118 WeakPolarHBondContact O-CA 3.12Å; I108-V118 WeakPolarHBondContact O-CG2 2.89Å; I108-V119 HydrophobicContact CB-CB 4.32Å; I108-V119 HydrophobicContact CB-CG2 3.89Å; I108-V119 HydrophobicContact CD1-CG2 4.48Å; I108-V119 HydrophobicContact CG2-CG2 4.22Å; I108-V119 PolarHBondContact O-N 2.7Å; I108-V146 HydrophobicContact CD1-CG1 4.48Å; I108-L150 HydrophobicContact CD1-CD2 3.96Å; I108-F171 HydrophobicContact CD1-CZ 3.81Å; I108-F171 HydrophobicContact CG1-CZ 4.25Å; I108-F171 HydrophobicContact CG2-CE2 4.28Å; I108-I202 WeakPolarHBondContact CA-O 3.17Å; I108-I202 HydrophobicContact CG1-CB 4.22Å; I108-I202 HydrophobicContact CG1-CD1 4.29Å; I108-I202 HydrophobicContact CG2-CB 4.34Å; I108-I202 HydrophobicContact CG2-CG2 4.49Å; I108-D204 HydrophobicContact CG2-CB 4.21Å; I108-M210 HydrophobicContact CB-CE 4.18Å; I108-M210 HydrophobicContact CD1-CE 4.07Å; I108-M210 HydrophobicContact CG2-CE 3.42Å; I108-M210 VanDerWaalsContact CG2-CE 3.42Å; I108-W221 HydrophobicContact CG2-CH2 4.1Å
109	V	89.9	Confident	87.5	Confident	7 Å²	7	31 Å²	31	4%	0.042	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	158	-179	-63.6	0	0	0	0	110.5	V107 L116 Q117 V118 V201 I202 D204 L229	V107-V109 HydrophobicContact CG1-CG1 3.98Å; V109-L116 HydrophobicContact CB-CD1 4.28Å; V109-Q117 CarbonylContact C-O 3.44Å; V109-Q117 WeakPolarHBondContact CA-O 3.44Å; V109-Q117 WeakPolarHBondContact CB-O 3.42Å; V109-V118 HydrophobicContact CG1-CB 4.19Å; V109-V118 HydrophobicContact CG1-CG2 4.01Å; V109-V201 HydrophobicContact CG1-CG1 4.44Å; V109-V201 HydrophobicContact CG2-CG1 3.73Å; V109-I202 PolarHBondContact N-O 3.32Å; V109-D204 WeakPolarHBondContact O-CB 3.49Å; V109-D204 PolarHBondContact O-N 3.33Å; V109-L229 HydrophobicContact CG1-CD1 3.9Å; V109-L229 HydrophobicContact CG1-CD2 4.36Å
110	R	90.1	Very high	86.9	Confident	19 Å²	19	30.9 Å²	30.9	7%	0.072	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	160.2	166.2	69.4	177.2	-177.2	-170.6	4.9	110.8	V112 Q117 D204 S205 M210 S211 W221	R110-V112 HydrophobicContact CG-CG2 4.05Å; R110-Q117 HydrophobicContact CG-CB 3.98Å; R110-Q117 VanDerWaalsContact CZ-OE1 3.3Å; R110-Q117 PolarHBondContact N-O 3.21Å; R110-Q117 PolarHBondContact O-N 3.21Å; R110-D204 HydrophobicContact CB-CB 4.16Å; R110-S205 WeakPolarHBondContact CA-OG 3.37Å; R110-M210 PolarHBondContact NH1-O 2.82Å; R110-S211 PolarHBondContact NH1-O 3.29Å; R110-S211 PolarHBondContact NH2-O 3.02Å; R110-W221 HydrophobicContact CB-CH2 3.91Å; R110-W221 HydrophobicContact CB-CZ2 4.49Å; R110-W221 HydrophobicContact CB-CZ3 4.23Å; R110-W221 VanDerWaalsContact CD-CZ2 3.47Å; R110-W221 HydrophobicContact CG-CD2 4.35Å; R110-W221 HydrophobicContact CG-CE3 4.03Å; R110-W221 HydrophobicContact CG-CH2 3.59Å; R110-W221 HydrophobicContact CG-CZ2 3.95Å; R110-W221 HydrophobicContact CG-CZ3 3.66Å; R110-W221 VanDerWaalsContact CZ-CD1 3.41Å; R110-W221 VanDerWaalsContact CZ-CE2 3.41Å; R110-W221 VanDerWaalsContact NH1-NE1 3.18Å
111	R	91.8	Very high	86.3	Confident	101 Å²	101	30.3 Å²	30.3	38%	0.381	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	116.5	171.8	-176.6	170.6	-85.3	-81.6	2	109.3	G113 D114 Q115 S205 E226	R111-G113 WeakPolarHBondContact CG-O 3.41Å; R111-D114 PolarHBondContact NH1-O 2.78Å; R111-Q115 CarbonylContact C-O 3.56Å; R111-Q115 VanDerWaalsContact CA-O 3.3Å; R111-Q115 WeakPolarHBondContact CA-O 3.33Å; R111-S205 WeakPolarHBondContact CB-OG 3.34Å; R111-S205 PolarHBondContact N-OG 2.83Å; R111-E226 IonicContact CZ-OE1 3.9Å; R111-E226 IonicContact NH2-OE1 2.76Å; R111-E226 PolarHBondContact NH2-OE1 2.76Å
112	V	89.9	Confident	85.6	Confident	55 Å²	55	35.3 Å²	35.3	33%	0.333	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	101.4	175.4	-177.3	0	0	0	0	107.7	R110 D114 Q115	R110-V112 HydrophobicContact CG-CG2 4.05Å; V112-D114 PolarHBondContact O-N 3.2Å; V112-Q115 PolarHBondContact N-O 2.89Å; V112-Q115 PolarHBondContact O-N 3.1Å; V112-Q115 VanDerWaalsContact O-N 3.09Å
113	G	89.5	Confident	84.8	Confident	62 Å²	62	42.2 Å²	42.2	64%	0.639	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	59	-122.6	-167.4	0	0	0	0	0	111.2	R111	R111-G113 WeakPolarHBondContact CG-O 3.41Å
114	D	90.7	Very high	84.2	Confident	156 Å²	156	42.6 Å²	42.6	83%	0.834	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-7.6	178.5	-66	-34.9	0	0	0	113.7	R111 V112	R111-D114 PolarHBondContact NH1-O 2.78Å; V112-D114 PolarHBondContact O-N 3.2Å
115	Q	92.9	Very high	82.9	Confident	99 Å²	99	51.8 Å²	51.8	46%	0.463	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126	-174.6	-62.5	-173	-24.4	0	0	111.4	R111 V112	R111-Q115 CarbonylContact C-O 3.56Å; R111-Q115 VanDerWaalsContact CA-O 3.3Å; R111-Q115 WeakPolarHBondContact CA-O 3.33Å; V112-Q115 PolarHBondContact N-O 2.89Å; V112-Q115 PolarHBondContact O-N 3.1Å; V112-Q115 VanDerWaalsContact O-N 3.09Å
116	L	93.3	Very high	81.5	Confident	14 Å²	14	53.1 Å²	53.1	7%	0.073	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	131.7	166.1	178.8	69.6	0	0	0	109	V109 N223 I224 L229	V109-L116 HydrophobicContact CB-CD1 4.28Å; L116-N223 WeakPolarHBondContact O-CA 3.5Å; L116-I224 HydrophobicContact CD2-CD1 3.93Å; L116-I224 HydrophobicContact CD2-CG1 3.9Å; L116-I224 HydrophobicContact CG-CD1 4.17Å; L116-I224 HydrophobicContact CG-CG1 3.84Å; L116-I224 PolarHBondContact O-N 2.91Å; L116-I224 VanDerWaalsContact O-O 3.1Å; L116-L229 HydrophobicContact CD2-CB 4.06Å; L116-L229 HydrophobicContact CD2-CD2 3.97Å
117	Q	91.6	Very high	79.7	Confident	20 Å²	20	56 Å²	56	9%	0.093	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	150.5	-178.6	-64	-176.2	-19.1	0	0	110.2	V109 R110 W221 R222 N223	V109-Q117 CarbonylContact C-O 3.44Å; V109-Q117 WeakPolarHBondContact CA-O 3.44Å; V109-Q117 WeakPolarHBondContact CB-O 3.42Å; R110-Q117 HydrophobicContact CG-CB 3.98Å; R110-Q117 VanDerWaalsContact CZ-OE1 3.3Å; R110-Q117 PolarHBondContact N-O 3.21Å; R110-Q117 PolarHBondContact O-N 3.21Å; Q117-W221 HydrophobicContact CB-CB 4.35Å; Q117-W221 HydrophobicContact CB-CD2 4.32Å; Q117-W221 HydrophobicContact CB-CE3 3.67Å; Q117-W221 HydrophobicContact CB-CZ3 4.3Å; Q117-R222 CarbonylContact C-O 3.57Å; Q117-R222 VanDerWaalsContact CA-O 3.3Å; Q117-R222 WeakPolarHBondContact CA-O 3.34Å; Q117-N223 VanDerWaalsContact CG-OD1 3.24Å; Q117-N223 WeakPolarHBondContact CG-OD1 3.31Å; Q117-N223 PolarHBondContact NE2-OD1 3.45Å
118	V	88.8	Confident	78.1	Confident	6 Å²	6	58.3 Å²	58.3	4%	0.036	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	145	172.6	68.9	0	0	0	0	109.9	V107 I108 V109 V120 W221 R222 I224	V107-V118 HydrophobicContact CG1-CG2 3.81Å; I108-V118 WeakPolarHBondContact O-CA 3.12Å; I108-V118 WeakPolarHBondContact O-CG2 2.89Å; V109-V118 HydrophobicContact CG1-CB 4.19Å; V109-V118 HydrophobicContact CG1-CG2 4.01Å; V118-V120 HydrophobicContact CG1-CG1 4.02Å; V118-W221 VanDerWaalsContact C-CE3 3.42Å; V118-R222 PolarHBondContact N-O 3.27Å; V118-R222 PolarHBondContact O-N 3.08Å; V118-I224 HydrophobicContact CB-CD1 3.78Å; V118-I224 HydrophobicContact CB-CG1 4.2Å; V118-I224 HydrophobicContact CB-CG2 4.49Å; V118-I224 HydrophobicContact CG1-CB 4.46Å; V118-I224 HydrophobicContact CG1-CD1 3.95Å; V118-I224 HydrophobicContact CG1-CG1 4.12Å; V118-I224 HydrophobicContact CG1-CG2 3.53Å
119	V	84.7	Confident	76.2	Confident	2 Å²	2	59.2 Å²	59.2	1%	0.012	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	134.2	172	179.4	0	0	0	0	109.6	I108 I130 M210 F213 F219 W221	I108-V119 HydrophobicContact CB-CB 4.32Å; I108-V119 HydrophobicContact CB-CG2 3.89Å; I108-V119 HydrophobicContact CD1-CG2 4.48Å; I108-V119 HydrophobicContact CG2-CG2 4.22Å; I108-V119 PolarHBondContact O-N 2.7Å; V119-I130 HydrophobicContact CB-CD1 3.85Å; V119-I130 HydrophobicContact CG1-CD1 3.98Å; V119-I130 VanDerWaalsContact O-CD1 3.27Å; V119-I130 WeakPolarHBondContact O-CD1 3.42Å; V119-M210 HydrophobicContact CG2-CE 3.53Å; V119-M210 HydrophobicContact CG2-SD 4.43Å; V119-F213 HydrophobicContact CB-CZ 4.41Å; V119-F213 HydrophobicContact CG1-CE2 4.27Å; V119-F213 HydrophobicContact CG1-CZ 3.7Å; V119-F213 HydrophobicContact CG2-CE2 4.09Å; V119-F213 HydrophobicContact CG2-CZ 3.82Å; V119-F219 HydrophobicContact CG1-CB 4.07Å; V119-F219 HydrophobicContact CG1-CD1 4.06Å; V119-F219 HydrophobicContact CG1-CG 4.41Å; V119-W221 HydrophobicContact CG2-CD2 4.07Å; V119-W221 HydrophobicContact CG2-CE3 3.78Å; V119-W221 HydrophobicContact CG2-CH2 3.59Å; V119-W221 HydrophobicContact CG2-CZ2 3.86Å; V119-W221 HydrophobicContact CG2-CZ3 3.52Å
120	V	81.2	Confident	74.4	Confident	3 Å²	3	59.1 Å²	59.1	2%	0.018	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	150.1	175.3	-65.8	0	0	0	0	110.5	V118 P127 F219 Y220 R222	V118-V120 HydrophobicContact CG1-CG1 4.02Å; V120-P127 WeakPolarHBondContact CG1-O 3.36Å; V120-F219 VanDerWaalsContact O-CA 3.27Å; V120-F219 WeakPolarHBondContact O-CA 3.19Å; V120-Y220 HydrophobicContact CG2-CD1 3.96Å; V120-Y220 HydrophobicContact CG2-CD2 3.88Å; V120-Y220 HydrophobicContact CG2-CE1 3.57Å; V120-Y220 HydrophobicContact CG2-CE2 3.48Å; V120-Y220 VanDerWaalsContact CG2-CE2 3.48Å; V120-Y220 HydrophobicContact CG2-CG 4.1Å; V120-Y220 WeakPolarHBondContact CG2-O 3.12Å; V120-Y220 PolarHBondContact N-O 3.42Å; V120-Y220 PolarHBondContact O-N 2.77Å; V120-R222 HydrophobicContact CG1-CB 4.21Å; V120-R222 HydrophobicContact CG2-CB 3.74Å
121	Q	78.2	Confident	72.4	Confident	51 Å²	51	61.5 Å²	61.5	24%	0.238	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	140.3	171.2	-163	176.9	4.9	0	0	111.1	S124 S129 E218 F219	Q121-S124 WeakPolarHBondContact O-CB 3.47Å; Q121-S124 PolarHBondContact O-N 3.5Å; Q121-S129 WeakPolarHBondContact CB-O 3.45Å; Q121-E218 CarbonylContact C-O 3.53Å; Q121-E218 VanDerWaalsContact CA-O 3.32Å; Q121-E218 WeakPolarHBondContact CA-O 3.19Å; Q121-E218 HydrophobicContact CG-CB 4.19Å; Q121-E218 PolarHBondContact NE2-OE2 2.61Å; Q121-F219 HydrophobicContact CB-CD1 3.92Å; Q121-F219 HydrophobicContact CB-CE1 3.7Å; Q121-F219 HydrophobicContact CG-CD1 4.2Å; Q121-F219 HydrophobicContact CG-CE1 3.83Å; Q121-F219 HydrophobicContact CG-CZ 4.2Å
122	E	72.9	Confident	70.5	Confident	109 Å²	109	57 Å²	57	51%	0.509	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	142.3	174.1	-161.1	-178.9	-170.7	0	0	110.4	S124 E218	E122-S124 PolarHBondContact O-N 2.9Å; E122-S124 VanDerWaalsContact O-N 3.13Å; E122-E218 WeakPolarHBondContact CB-O 3.31Å; E122-E218 PolarHBondContact N-O 2.87Å
123	N	66.5	Low	68.8	Low	145 Å²	145	55.5 Å²	55.5	78%	0.775	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	9.8	-177.4	-51.8	-59.6	0	0	0	115.9	Q125	N123-Q125 PolarHBondContact O-N 2.86Å
124	S	64	Low	67	Low	32 Å²	32	57.8 Å²	57.8	22%	0.224	30%	0.3	C	S	.	.			trans	-59.2	121.7	166.2	176.5	0	0	0	0	111.3	Q121 E122 A126 S129	Q121-S124 WeakPolarHBondContact O-CB 3.47Å; Q121-S124 PolarHBondContact O-N 3.5Å; E122-S124 PolarHBondContact O-N 2.9Å; E122-S124 VanDerWaalsContact O-N 3.13Å; S124-A126 VanDerWaalsContact C-N 3.27Å; S124-A126 WeakPolarHBondContact CB-O 3.04Å; S124-A126 PolarHBondContact OG-N 2.91Å; S124-A126 PolarHBondContact OG-O 3.15Å; S124-S129 WeakPolarHBondContact CB-OG 3.3Å; S124-S129 WeakPolarHBondContact OG-CB 3.44Å; S124-S129 PolarHBondContact OG-N 3.33Å; S124-S129 PolarHBondContact OG-OG 3.18Å
125	Q	51.9	Low	65.4	Low	194 Å²	194	50.6 Å²	50.6	91%	0.907	26%	0.262	S	S	*	.	S	Bend	trans	-71.9	-24.6	170	-68.1	-65.2	-34.3	0	0	112.4	N123	N123-Q125 PolarHBondContact O-N 2.86Å
126	A	49.4	Very low	63.8	Low	34 Å²	34	47 Å²	47	28%	0.281	25%	0.248	S	C	.	.	S	Bend	trans	-84.8	149.3	173.4	0	0	0	0	0	109.1	S124 F128	S124-A126 VanDerWaalsContact C-N 3.27Å; S124-A126 WeakPolarHBondContact CB-O 3.04Å; S124-A126 PolarHBondContact OG-N 2.91Å; S124-A126 PolarHBondContact OG-O 3.15Å; A126-F128 HydrophobicContact CB-CD2 3.59Å; A126-F128 HydrophobicContact CB-CE2 3.65Å; A126-F128 HydrophobicContact CB-CG 4.47Å; A126-F128 HydrophobicContact CB-CZ 4.47Å; A126-F128 PolarHBondContact O-N 3.43Å
127	P	45.9	Very low	62.4	Low	61 Å²	61	52.1 Å²	52.1	40%	0.396	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-7.8	171.7	-16.8	26.2	0	0	0	113.6	V120 R222	V120-P127 WeakPolarHBondContact CG1-O 3.36Å; P127-R222 PolarHBondContact O-NH1 3.22Å; P127-R222 VanDerWaalsContact O-NH1 3.16Å; P127-R222 PolarHBondContact O-NH2 3.48Å
128	F	51.8	Low	60.8	Low	54 Å²	54	52.7 Å²	52.7	24%	0.237	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-151.6	27.4	-156.2	40.2	-122.5	0	0	0	113.1	A126 I130 I232 Y236	A126-F128 HydrophobicContact CB-CD2 3.59Å; A126-F128 HydrophobicContact CB-CE2 3.65Å; A126-F128 HydrophobicContact CB-CG 4.47Å; A126-F128 HydrophobicContact CB-CZ 4.47Å; A126-F128 PolarHBondContact O-N 3.43Å; F128-I130 VanDerWaalsContact C-N 3.31Å; F128-I130 PolarHBondContact O-N 3.19Å; F128-I232 HydrophobicContact CD1-CG1 4.14Å; F128-Y236 HydrophobicContact CB-CE2 3.87Å; F128-Y236 HydrophobicContact CD1-CE2 4.21Å; F128-Y236 AromaticContact CD2-CD2 3.96Å; F128-Y236 HydrophobicContact CD2-CD2 3.96Å; F128-Y236 AromaticContact CD2-CE2 2.98Å; F128-Y236 HydrophobicContact CD2-CE2 2.98Å; F128-Y236 AromaticContact CD2-CZ 3.48Å; F128-Y236 VanDerWaalsContact CD2-CZ 3.48Å; F128-Y236 VanDerWaalsContact CD2-OH 3.3Å; F128-Y236 WeakPolarHBondContact CD2-OH 3.4Å; F128-Y236 HydrophobicContact CE2-CD2 4.02Å; F128-Y236 AromaticContact CE2-CE2 3.33Å; F128-Y236 HydrophobicContact CE2-CE2 3.33Å; F128-Y236 AromaticContact CE2-CZ 3.75Å; F128-Y236 HydrophobicContact CG-CD2 4.19Å; F128-Y236 AromaticContact CG-CE2 3.43Å; F128-Y236 HydrophobicContact CG-CE2 3.43Å; F128-Y236 VanDerWaalsContact CG-CE2 3.43Å; F128-Y236 HydrophobicContact CZ-CD2 4.42Å; F128-Y236 HydrophobicContact CZ-CE2 4.12Å; F128-Y236 PolarHBondContact O-OH 3.26Å
129	S	45.2	Very low	59.8	Low	19 Å²	19	55.4 Å²	55.4	13%	0.133	29%	0.291	C	S	.	.			trans	-73.2	91.4	176.5	94.9	0	0	0	0	110.1	Q121 S124 P131	Q121-S129 WeakPolarHBondContact CB-O 3.45Å; S124-S129 WeakPolarHBondContact CB-OG 3.3Å; S124-S129 WeakPolarHBondContact OG-CB 3.44Å; S124-S129 PolarHBondContact OG-N 3.33Å; S124-S129 PolarHBondContact OG-OG 3.18Å; S129-P131 WeakPolarHBondContact O-CD 3.48Å
130	I	51.3	Low	58.8	Low	5 Å²	5	58.4 Å²	58.4	3%	0.026	30%	0.303	C	S	.	.			trans	-107.6	63.5	144.6	-29.6	-176.2	0	0	0	108.4	V119 F128 L132 L150 F219	V119-I130 HydrophobicContact CB-CD1 3.85Å; V119-I130 HydrophobicContact CG1-CD1 3.98Å; V119-I130 VanDerWaalsContact O-CD1 3.27Å; V119-I130 WeakPolarHBondContact O-CD1 3.42Å; F128-I130 VanDerWaalsContact C-N 3.31Å; F128-I130 PolarHBondContact O-N 3.19Å; I130-L132 VanDerWaalsContact C-N 3.3Å; I130-L132 HydrophobicContact CB-CG 4.32Å; I130-L132 HydrophobicContact CG2-CD1 3.71Å; I130-L132 HydrophobicContact CG2-CD2 3.46Å; I130-L132 VanDerWaalsContact CG2-CD2 3.46Å; I130-L132 HydrophobicContact CG2-CG 3.46Å; I130-L132 VanDerWaalsContact CG2-CG 3.46Å; I130-L132 PolarHBondContact O-N 3.3Å; I130-L150 HydrophobicContact CG2-CD2 4.23Å; I130-F219 HydrophobicContact CG2-CE1 4.02Å
131	P	48.3	Very low	57.8	Low	70 Å²	70	59 Å²	59	46%	0.455	31%	0.305	S	S	.	.			trans	-72	95.2	171.5	29.8	-32.7	0	0	0	106.9	F103 S129	F103-P131 HydrophobicContact CZ-CB 4.09Å; S129-P131 WeakPolarHBondContact O-CD 3.48Å
132	L	52	Low	56.9	Low	6 Å²	6	65 Å²	65	3%	0.031	33%	0.327	C	S	.	.			trans	-85.8	148.2	-176.7	-69.2	-175.8	0	0	0	111.6	F103 V104 P106 I130 V146 L150	F103-L132 WeakPolarHBondContact CD2-O 3.48Å; F103-L132 WeakPolarHBondContact CE2-O 3.27Å; F103-L132 WeakPolarHBondContact CZ-O 3.38Å; V104-L132 HydrophobicContact CG2-CB 3.92Å; P106-L132 HydrophobicContact CG-CD1 3.12Å; P106-L132 HydrophobicContact CG-CG 4.25Å; I130-L132 VanDerWaalsContact C-N 3.3Å; I130-L132 HydrophobicContact CB-CG 4.32Å; I130-L132 HydrophobicContact CG2-CD1 3.71Å; I130-L132 HydrophobicContact CG2-CD2 3.46Å; I130-L132 VanDerWaalsContact CG2-CD2 3.46Å; I130-L132 HydrophobicContact CG2-CG 3.46Å; I130-L132 VanDerWaalsContact CG2-CG 3.46Å; I130-L132 PolarHBondContact O-N 3.3Å; L132-V146 WeakPolarHBondContact CB-O 3.3Å; L132-V146 HydrophobicContact CD1-CB 4.04Å; L132-V146 WeakPolarHBondContact CD1-O 3.02Å; L132-L150 HydrophobicContact CD1-CB 3.76Å; L132-L150 HydrophobicContact CD1-CD2 3.33Å; L132-L150 HydrophobicContact CD1-CG 4.12Å; L132-L150 HydrophobicContact CD2-CB 3.54Å; L132-L150 HydrophobicContact CD2-CD2 4.02Å; L132-L150 HydrophobicContact CD2-CG 4.27Å; L132-L150 HydrophobicContact CG-CB 4.27Å; L132-L150 HydrophobicContact CG-CD2 4.3Å
133	P	54.6	Low	56.7	Low	23 Å²	23	65.8 Å²	65.8	15%	0.149	33%	0.331	C	S	.	.			trans	-68.2	156.1	-155.9	32	-42.2	0	0	0	112.7	I135 N149	P133-I135 PolarHBondContact O-N 3.24Å; P133-N149 HydrophobicContact CB-CB 4.3Å; P133-N149 WeakPolarHBondContact CB-ND2 3.46Å; P133-N149 HydrophobicContact CG-CB 3.57Å
134	W	52	Low	56.9	Low	110 Å²	110	59.6 Å²	59.6	42%	0.417	30%	0.297	S	S	.	.			trans	-40.5	119.4	168.7	-64.1	84.9	0	0	0	112.5	F95 F103 L195	F95-W134 HydrophobicContact CD1-CH2 4.12Å; F95-W134 AromaticContact CD1-CZ3 3.69Å; F95-W134 HydrophobicContact CD1-CZ3 3.69Å; F95-W134 AromaticContact CE1-CH2 3.61Å; F95-W134 HydrophobicContact CE1-CH2 3.61Å; F95-W134 AromaticContact CE1-CZ3 3.49Å; F95-W134 HydrophobicContact CE1-CZ3 3.49Å; F95-W134 VanDerWaalsContact CE1-CZ3 3.49Å; F103-W134 HydrophobicContact CD2-CD2 4.46Å; W134-L195 HydrophobicContact CE3-CD1 4.22Å; W134-L195 HydrophobicContact CH2-CD1 3.87Å; W134-L195 HydrophobicContact CH2-CD2 4.21Å; W134-L195 HydrophobicContact CZ3-CD1 3.47Å; W134-L195 VanDerWaalsContact CZ3-CD1 3.47Å
135	I	57.2	Low	57.2	Low	5 Å²	5	58.1 Å²	58.1	3%	0.026	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-96.9	129.7	171.3	-64.3	-167.9	0	0	0	107.7	A102 V104 P133 Y137 Y140 F141 D144	A102-I135 HydrophobicContact CB-CB 3.9Å; A102-I135 HydrophobicContact CB-CG2 4.04Å; A102-I135 WeakPolarHBondContact CB-O 2.93Å; A102-I135 PolarHBondContact N-O 3.25Å; A102-I135 PolarHBondContact O-N 2.78Å; V104-I135 HydrophobicContact CB-CD1 4.31Å; V104-I135 HydrophobicContact CG1-CD1 3.5Å; V104-I135 HydrophobicContact CG2-CD1 3.84Å; V104-I135 HydrophobicContact CG2-CG1 4.36Å; P133-I135 PolarHBondContact O-N 3.24Å; I135-Y137 VanDerWaalsContact C-N 3.28Å; I135-Y137 VanDerWaalsContact CG2-O 3.26Å; I135-Y137 WeakPolarHBondContact CG2-O 3.47Å; I135-Y137 PolarHBondContact O-N 3.4Å; I135-Y140 HydrophobicContact CG2-CD2 4.36Å; I135-Y140 HydrophobicContact CG2-CG 3.88Å; I135-F141 HydrophobicContact CD1-CD1 4.27Å; I135-D144 WeakPolarHBondContact CD1-O 3.44Å
136	P	59.4	Low	58.2	Low	25 Å²	25	48.9 Å²	48.9	16%	0.162	24%	0.244	C	C	.	.	S	Bend	trans	-70	-20.4	-174.1	27.6	-35.4	0	0	0	113.8	H97 Y140	H97-P136 PolarHBondContact CD2-O 3.04Å; H97-P136 PolarHBondContact NE2-O 3.16Å; P136-Y140 HydrophobicContact CG-CD2 4.35Å; P136-Y140 HydrophobicContact CG-CE2 4.15Å
137	Y	64.1	Low	59.2	Low	121 Å²	121	47.2 Å²	47.2	48%	0.475	23%	0.23	S	C	.	.	S	Bend	trans	-149.5	147.5	178	-57.6	-83.6	0	0	0	111.9	I135 S139 Y140	I135-Y137 VanDerWaalsContact C-N 3.28Å; I135-Y137 VanDerWaalsContact CG2-O 3.26Å; I135-Y137 WeakPolarHBondContact CG2-O 3.47Å; I135-Y137 PolarHBondContact O-N 3.4Å; Y137-S139 PolarHBondContact O-N 2.91Å; Y137-S139 VanDerWaalsContact O-N 3.16Å; Y137-Y140 HydrophobicContact CD2-CD2 4.28Å; Y137-Y140 AromaticContact CD2-CE2 3.86Å; Y137-Y140 HydrophobicContact CD2-CE2 3.86Å; Y137-Y140 WeakPolarHBondContact O-CB 3.41Å; Y137-Y140 PolarHBondContact O-N 3.27Å
138	P	58.4	Low	60.3	Low	31 Å²	31	49 Å²	49	20%	0.201	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-26.1	178	-25.7	34.2	0	0	0	114.8	E100 A102 Y140 F141	E100-P138 HydrophobicContact CB-CG 3.9Å; E100-P138 HydrophobicContact CG-CG 3.51Å; E100-P138 WeakPolarHBondContact O-CD 3.41Å; E100-P138 VanDerWaalsContact OE2-CG 3.3Å; E100-P138 WeakPolarHBondContact OE2-CG 3.43Å; A102-P138 HydrophobicContact CB-CG 4.38Å; P138-Y140 PolarHBondContact O-N 3.22Å; P138-F141 HydrophobicContact CB-CD2 3.85Å; P138-F141 HydrophobicContact CB-CE2 3.85Å; P138-F141 WeakPolarHBondContact O-CB 3.36Å; P138-F141 WeakPolarHBondContact O-CD2 3.48Å; P138-F141 VanDerWaalsContact O-CG 3.29Å; P138-F141 WeakPolarHBondContact O-CG 3.26Å; P138-F141 PolarHBondContact O-N 2.7Å
139	S	65.9	Low	61	Low	64 Å²	64	51 Å²	51	45%	0.448	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-33	175	57.4	0	0	0	0	112	Y137 F141 Y142	Y137-S139 PolarHBondContact O-N 2.91Å; Y137-S139 VanDerWaalsContact O-N 3.16Å; S139-F141 PolarHBondContact O-N 2.8Å; S139-Y142 PolarHBondContact O-N 3.16Å
140	Y	64.4	Low	62.2	Low	65 Å²	65	50.2 Å²	50.2	26%	0.255	24%	0.237	S	C	.	.	H	α-helix	trans	-71.5	-10.8	176.2	-75.2	-99.6	0	0	0	112.9	I135 P136 Y137 P138 Y142 E143 D144 R148	I135-Y140 HydrophobicContact CG2-CD2 4.36Å; I135-Y140 HydrophobicContact CG2-CG 3.88Å; P136-Y140 HydrophobicContact CG-CD2 4.35Å; P136-Y140 HydrophobicContact CG-CE2 4.15Å; Y137-Y140 HydrophobicContact CD2-CD2 4.28Å; Y137-Y140 AromaticContact CD2-CE2 3.86Å; Y137-Y140 HydrophobicContact CD2-CE2 3.86Å; Y137-Y140 WeakPolarHBondContact O-CB 3.41Å; Y137-Y140 PolarHBondContact O-N 3.27Å; P138-Y140 PolarHBondContact O-N 3.22Å; Y140-Y142 PolarHBondContact O-N 3.25Å; Y140-E143 PolarHBondContact O-N 3.11Å; Y140-D144 CarbonylContact O-C 3.47Å; Y140-D144 WeakPolarHBondContact O-CA 3.34Å; Y140-D144 WeakPolarHBondContact O-CB 3.28Å; Y140-D144 PolarHBondContact O-N 2.85Å; Y140-R148 VanDerWaalsContact CE1-NH2 3.33Å
141	F	59.8	Low	63.3	Low	15 Å²	15	50.8 Å²	50.8	7%	0.066	24%	0.24	C	C	.	.	H	α-helix	trans	-58.2	-28.4	169.3	-69.6	-39.2	0	0	0	112.3	A102 F103 V104 I135 P138 S139 R198	A102-F141 HydrophobicContact CB-CD1 4.22Å; A102-F141 HydrophobicContact CB-CE1 3.48Å; A102-F141 VanDerWaalsContact CB-CE1 3.48Å; A102-F141 HydrophobicContact CB-CE2 3.93Å; A102-F141 HydrophobicContact CB-CZ 3.31Å; F103-F141 VanDerWaalsContact O-CE1 3.31Å; F103-F141 WeakPolarHBondContact O-CE1 3.45Å; V104-F141 HydrophobicContact CG1-CD1 3.42Å; V104-F141 VanDerWaalsContact CG1-CD1 3.42Å; V104-F141 HydrophobicContact CG1-CE1 3.71Å; I135-F141 HydrophobicContact CD1-CD1 4.27Å; P138-F141 HydrophobicContact CB-CD2 3.85Å; P138-F141 HydrophobicContact CB-CE2 3.85Å; P138-F141 WeakPolarHBondContact O-CB 3.36Å; P138-F141 WeakPolarHBondContact O-CD2 3.48Å; P138-F141 VanDerWaalsContact O-CG 3.29Å; P138-F141 WeakPolarHBondContact O-CG 3.26Å; P138-F141 PolarHBondContact O-N 2.7Å; S139-F141 PolarHBondContact O-N 2.8Å; F141-R198 HydrophobicContact CD1-CB 3.9Å; F141-R198 HydrophobicContact CD2-CB 4.44Å; F141-R198 HydrophobicContact CE1-CB 3.92Å; F141-R198 HydrophobicContact CE2-CB 4.48Å; F141-R198 HydrophobicContact CG-CB 4.16Å; F141-R198 HydrophobicContact CZ-CB 4.21Å; F141-R198 PolarHBondContact O-NH1 2.94Å
142	Y	60.6	Low	64.5	Low	178 Å²	178	54.7 Å²	54.7	70%	0.698	25%	0.246	S	C	*	.	H	α-helix	trans	-90.3	-33.1	178.9	-58.3	-80.1	0	0	0	112.1	S139 Y140	S139-Y142 PolarHBondContact O-N 3.16Å; Y140-Y142 PolarHBondContact O-N 3.25Å
143	E	67.5	Low	65.5	Low	125 Å²	125	56.5 Å²	56.5	58%	0.584	25%	0.253	S	S	*	.	H	α-helix	trans	-80	-24.9	178.5	-59.6	174.6	-172.3	0	0	112.3	Y140	Y140-E143 PolarHBondContact O-N 3.11Å
144	D	71.7	Confident	66.3	Low	14 Å²	14	55.4 Å²	55.4	8%	0.075	25%	0.246	C	C	.	.			trans	-149	69.8	-168.4	-165	-1.9	0	0	0	111.4	I135 Y140 V146 G147 R148 T151 M172	I135-D144 WeakPolarHBondContact CD1-O 3.44Å; Y140-D144 CarbonylContact O-C 3.47Å; Y140-D144 WeakPolarHBondContact O-CA 3.34Å; Y140-D144 WeakPolarHBondContact O-CB 3.28Å; Y140-D144 PolarHBondContact O-N 2.85Å; D144-V146 PolarHBondContact O-N 3.27Å; D144-V146 VanDerWaalsContact O-N 3.16Å; D144-G147 VanDerWaalsContact CG-C 3.47Å; D144-G147 VanDerWaalsContact CG-CA 3.44Å; D144-G147 PolarHBondContact O-N 3.06Å; D144-G147 WeakPolarHBondContact OD1-CA 3.33Å; D144-G147 PolarHBondContact OD1-N 3.34Å; D144-R148 WeakPolarHBondContact OD2-CA 3.28Å; D144-R148 WeakPolarHBondContact OD2-CB 3.46Å; D144-R148 PolarHBondContact OD2-N 2.86Å; D144-T151 WeakPolarHBondContact OD1-CB 3.2Å; D144-T151 PolarHBondContact OD1-OG1 3.14Å; D144-M172 HydrophobicContact CB-CE 4.47Å
145	P	70.5	Confident	67.4	Low	1 Å²	1	53.4 Å²	53.4	1%	0.006	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.2	-172.3	27.8	-36.3	0	0	0	113.9	M172	P145-M172 HydrophobicContact CG-CE 4.49Å; P145-M172 HydrophobicContact CG-SD 4.46Å
146	V	72.9	Confident	68.2	Low	0 Å²	0	58.8 Å²	58.8	0%	0	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	0.3	174.9	-56.5	0	0	0	0	113.2	P106 I108 L132 D144 L150 T151 L154 F171 M172 I202	P106-V146 HydrophobicContact CB-CG1 4.05Å; P106-V146 HydrophobicContact CG-CB 4.12Å; P106-V146 HydrophobicContact CG-CG1 3.93Å; I108-V146 HydrophobicContact CD1-CG1 4.48Å; L132-V146 WeakPolarHBondContact CB-O 3.3Å; L132-V146 HydrophobicContact CD1-CB 4.04Å; L132-V146 WeakPolarHBondContact CD1-O 3.02Å; D144-V146 PolarHBondContact O-N 3.27Å; D144-V146 VanDerWaalsContact O-N 3.16Å; V146-L150 HydrophobicContact CB-CB 4.32Å; V146-L150 HydrophobicContact CB-CD2 4Å; V146-L150 HydrophobicContact CB-CG 4.29Å; V146-L150 HydrophobicContact CG2-CB 4.2Å; V146-L150 HydrophobicContact CG2-CD2 4.4Å; V146-L150 HydrophobicContact CG2-CG 4.19Å; V146-T151 WeakPolarHBondContact CG2-OG1 3.21Å; V146-L154 HydrophobicContact CG2-CD1 4.26Å; V146-F171 HydrophobicContact CG1-CE1 3.71Å; V146-F171 HydrophobicContact CG1-CZ 4.08Å; V146-F171 HydrophobicContact CG2-CE1 4.23Å; V146-M172 HydrophobicContact CG2-SD 4.17Å; V146-I202 HydrophobicContact CG1-CD1 3.71Å
147	G	69.7	Low	68.7	Low	0 Å²	0	58 Å²	58	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	74.4	150.1	173.7	0	0	0	0	0	113.6	D144 N149 L150 T151	D144-G147 VanDerWaalsContact CG-C 3.47Å; D144-G147 VanDerWaalsContact CG-CA 3.44Å; D144-G147 PolarHBondContact O-N 3.06Å; D144-G147 WeakPolarHBondContact OD1-CA 3.33Å; D144-G147 PolarHBondContact OD1-N 3.34Å; G147-N149 VanDerWaalsContact C-N 3.27Å; G147-N149 PolarHBondContact O-N 2.91Å; G147-L150 PolarHBondContact O-N 3.06Å; G147-T151 WeakPolarHBondContact O-CB 3.19Å; G147-T151 PolarHBondContact O-N 3.48Å; G147-T151 PolarHBondContact O-OG1 3.13Å
148	R	69.2	Low	69.2	Low	99 Å²	99	52.4 Å²	52.4	37%	0.374	24%	0.236	S	C	.	.	H	α-helix	trans	-55.8	-34	-160.4	-169.7	175.4	-67.6	-179.5	-3.5	115.6	Y140 D144 R152	Y140-R148 VanDerWaalsContact CE1-NH2 3.33Å; D144-R148 WeakPolarHBondContact OD2-CA 3.28Å; D144-R148 WeakPolarHBondContact OD2-CB 3.46Å; D144-R148 PolarHBondContact OD2-N 2.86Å; R148-R152 VanDerWaalsContact O-CB 3.29Å; R148-R152 WeakPolarHBondContact O-CB 3.19Å; R148-R152 WeakPolarHBondContact O-CD 3.3Å; R148-R152 WeakPolarHBondContact O-CG 3.45Å; R148-R152 PolarHBondContact O-N 3.22Å
149	N	67.3	Low	69.9	Low	95 Å²	95	55.6 Å²	55.6	51%	0.508	25%	0.251	S	S	.	.	H	α-helix	trans	-75.9	-44.7	-179.7	-65.2	-15.7	0	0	0	111.5	P133 G147 T151 R152 Y153	P133-N149 HydrophobicContact CB-CB 4.3Å; P133-N149 WeakPolarHBondContact CB-ND2 3.46Å; P133-N149 HydrophobicContact CG-CB 3.57Å; G147-N149 VanDerWaalsContact C-N 3.27Å; G147-N149 PolarHBondContact O-N 2.91Å; N149-T151 VanDerWaalsContact C-N 3.33Å; N149-R152 PolarHBondContact O-N 2.68Å; N149-Y153 WeakPolarHBondContact O-CB 3.31Å; N149-Y153 PolarHBondContact O-N 3.34Å
150	L	70.5	Confident	70.3	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-67	-41.6	175.6	-174.7	55.5	0	0	0	109.8	I108 I130 L132 V146 G147 R152 Y153 L154 F219	I108-L150 HydrophobicContact CD1-CD2 3.96Å; I130-L150 HydrophobicContact CG2-CD2 4.23Å; L132-L150 HydrophobicContact CD1-CB 3.76Å; L132-L150 HydrophobicContact CD1-CD2 3.33Å; L132-L150 HydrophobicContact CD1-CG 4.12Å; L132-L150 HydrophobicContact CD2-CB 3.54Å; L132-L150 HydrophobicContact CD2-CD2 4.02Å; L132-L150 HydrophobicContact CD2-CG 4.27Å; L132-L150 HydrophobicContact CG-CB 4.27Å; L132-L150 HydrophobicContact CG-CD2 4.3Å; V146-L150 HydrophobicContact CB-CB 4.32Å; V146-L150 HydrophobicContact CB-CD2 4Å; V146-L150 HydrophobicContact CB-CG 4.29Å; V146-L150 HydrophobicContact CG2-CB 4.2Å; V146-L150 HydrophobicContact CG2-CD2 4.4Å; V146-L150 HydrophobicContact CG2-CG 4.19Å; G147-L150 PolarHBondContact O-N 3.06Å; L150-R152 VanDerWaalsContact C-N 3.33Å; L150-R152 PolarHBondContact O-N 3.14Å; L150-Y153 HydrophobicContact CD1-CD1 4.38Å; L150-Y153 CarbonylContact O-C 3.32Å; L150-Y153 WeakPolarHBondContact O-CA 3.39Å; L150-Y153 WeakPolarHBondContact O-CB 3.15Å; L150-Y153 PolarHBondContact O-N 2.98Å; L150-L154 HydrophobicContact CD1-CD1 4.17Å; L150-L154 HydrophobicContact CD1-CD2 4.03Å; L150-L154 HydrophobicContact CD1-CG 3.75Å; L150-L154 HydrophobicContact CD2-CD1 4.25Å; L150-L154 HydrophobicContact CG-CD1 3.76Å; L150-L154 HydrophobicContact CG-CG 3.85Å; L150-L154 WeakPolarHBondContact O-CB 3.41Å; L150-L154 VanDerWaalsContact O-CG 3.31Å; L150-L154 WeakPolarHBondContact O-CG 3.46Å; L150-L154 PolarHBondContact O-N 2.86Å; L150-F219 HydrophobicContact CD1-CD2 4.25Å; L150-F219 HydrophobicContact CD1-CE2 3.93Å; L150-F219 HydrophobicContact CD1-CZ 4.09Å
151	T	74.4	Confident	70.5	Confident	17 Å²	17	57.9 Å²	57.9	10%	0.104	27%	0.273	C	S	.	.	H	α-helix	trans	-54.5	-47.7	173.4	-65.1	0	0	0	0	112	D144 V146 G147 N149 Y153 H155 F168 M172	D144-T151 WeakPolarHBondContact OD1-CB 3.2Å; D144-T151 PolarHBondContact OD1-OG1 3.14Å; V146-T151 WeakPolarHBondContact CG2-OG1 3.21Å; G147-T151 WeakPolarHBondContact O-CB 3.19Å; G147-T151 PolarHBondContact O-N 3.48Å; G147-T151 PolarHBondContact O-OG1 3.13Å; N149-T151 VanDerWaalsContact C-N 3.33Å; T151-Y153 VanDerWaalsContact C-N 3.32Å; T151-Y153 PolarHBondContact O-N 3.34Å; T151-H155 WeakPolarHBondContact O-CB 3.48Å; T151-H155 PolarHBondContact O-N 3.48Å; T151-F168 HydrophobicContact CG2-CE2 3.53Å; T151-F168 HydrophobicContact CG2-CZ 3.37Å; T151-M172 HydrophobicContact CG2-CE 3.7Å; T151-M172 HydrophobicContact CG2-SD 4.26Å
152	R	72.8	Confident	70.8	Confident	151 Å²	151	60.5 Å²	60.5	57%	0.57	28%	0.283	S	S	*	.	H	α-helix	trans	-63	-39.1	175.1	-79.2	169.2	176.7	162.3	-6.7	112.8	R148 N149 L150 K156	R148-R152 VanDerWaalsContact O-CB 3.29Å; R148-R152 WeakPolarHBondContact O-CB 3.19Å; R148-R152 WeakPolarHBondContact O-CD 3.3Å; R148-R152 WeakPolarHBondContact O-CG 3.45Å; R148-R152 PolarHBondContact O-N 3.22Å; N149-R152 PolarHBondContact O-N 2.68Å; L150-R152 VanDerWaalsContact C-N 3.33Å; L150-R152 PolarHBondContact O-N 3.14Å; R152-K156 WeakPolarHBondContact O-CB 3.29Å; R152-K156 PolarHBondContact O-N 3.15Å
153	Y	72.1	Confident	71.2	Confident	44 Å²	44	62 Å²	62	17%	0.173	30%	0.296	C	S	.	.	H	α-helix	trans	-67.5	-51.9	-179.7	-172.5	-100.2	0	0	0	111	N149 L150 T151 H155 K156 M157 F216 S217 F219	N149-Y153 WeakPolarHBondContact O-CB 3.31Å; N149-Y153 PolarHBondContact O-N 3.34Å; L150-Y153 HydrophobicContact CD1-CD1 4.38Å; L150-Y153 CarbonylContact O-C 3.32Å; L150-Y153 WeakPolarHBondContact O-CA 3.39Å; L150-Y153 WeakPolarHBondContact O-CB 3.15Å; L150-Y153 PolarHBondContact O-N 2.98Å; T151-Y153 VanDerWaalsContact C-N 3.32Å; T151-Y153 PolarHBondContact O-N 3.34Å; Y153-H155 PolarHBondContact O-N 2.89Å; Y153-K156 PolarHBondContact O-N 3.02Å; Y153-M157 HydrophobicContact CD1-CG 4.23Å; Y153-M157 HydrophobicContact CD1-SD 3.72Å; Y153-M157 HydrophobicContact CE1-CG 3.72Å; Y153-M157 HydrophobicContact CE1-SD 3.12Å; Y153-M157 WeakPolarHBondContact CE1-SD 3.14Å; Y153-M157 WeakPolarHBondContact O-CG 3.35Å; Y153-M157 PolarHBondContact O-N 2.65Å; Y153-F216 HydrophobicContact CE2-CD2 4.26Å; Y153-F216 HydrophobicContact CE2-CE2 4.1Å; Y153-F216 WeakPolarHBondContact OH-CD2 3.46Å; Y153-F216 WeakPolarHBondContact OH-CE2 3.49Å; Y153-S217 WeakPolarHBondContact CE1-OG 3.1Å; Y153-S217 WeakPolarHBondContact OH-CA 3.16Å; Y153-S217 WeakPolarHBondContact OH-CB 3.49Å; Y153-S217 PolarHBondContact OH-N 3.26Å; Y153-S217 PolarHBondContact OH-OG 3.31Å; Y153-F219 AromaticContact CD1-CD2 3.62Å; Y153-F219 HydrophobicContact CD1-CD2 3.62Å; Y153-F219 AromaticContact CD1-CE2 3.89Å; Y153-F219 HydrophobicContact CD1-CE2 3.89Å; Y153-F219 AromaticContact CE1-CD2 3.68Å; Y153-F219 HydrophobicContact CE1-CD2 3.68Å; Y153-F219 HydrophobicContact CE1-CE2 4.33Å; Y153-F219 HydrophobicContact CG-CD2 4.43Å; Y153-F219 HydrophobicContact CG-CE2 4.31Å
154	L	72.4	Confident	71.4	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-59.7	-44	174.8	-65.3	-179.1	0	0	0	111.8	V146 L150 K156 M157 W158 F171 M210 F213	V146-L154 HydrophobicContact CG2-CD1 4.26Å; L150-L154 HydrophobicContact CD1-CD1 4.17Å; L150-L154 HydrophobicContact CD1-CD2 4.03Å; L150-L154 HydrophobicContact CD1-CG 3.75Å; L150-L154 HydrophobicContact CD2-CD1 4.25Å; L150-L154 HydrophobicContact CG-CD1 3.76Å; L150-L154 HydrophobicContact CG-CG 3.85Å; L150-L154 WeakPolarHBondContact O-CB 3.41Å; L150-L154 VanDerWaalsContact O-CG 3.31Å; L150-L154 WeakPolarHBondContact O-CG 3.46Å; L150-L154 PolarHBondContact O-N 2.86Å; L154-K156 VanDerWaalsContact C-N 3.34Å; L154-K156 PolarHBondContact O-N 2.95Å; L154-M157 HydrophobicContact CD2-SD 4.27Å; L154-M157 WeakPolarHBondContact O-CB 3.16Å; L154-M157 PolarHBondContact O-N 2.85Å; L154-W158 HydrophobicContact CB-CE3 4.13Å; L154-W158 HydrophobicContact CB-CH2 4.02Å; L154-W158 HydrophobicContact CB-CZ2 4.47Å; L154-W158 HydrophobicContact CB-CZ3 3.84Å; L154-W158 HydrophobicContact CD1-CH2 4.19Å; L154-W158 WeakPolarHBondContact O-CB 3.17Å; L154-W158 PolarHBondContact O-N 2.96Å; L154-F171 HydrophobicContact CD1-CD1 4.25Å; L154-F171 HydrophobicContact CD1-CE1 3.66Å; L154-F171 HydrophobicContact CD1-CZ 4.12Å; L154-M210 HydrophobicContact CD1-SD 4.39Å; L154-M210 HydrophobicContact CD2-CG 4.25Å; L154-M210 HydrophobicContact CD2-SD 3.44Å; L154-M210 WeakPolarHBondContact CD2-SD 3.42Å; L154-F213 HydrophobicContact CD2-CE1 4.47Å
155	H	74.4	Confident	71.2	Confident	69 Å²	69	61.8 Å²	61.8	32%	0.319	30%	0.303	S	S	.	.	H	α-helix	trans	-58.7	-45.7	175	-174.2	-108.4	0	0	0	111.8	T151 Y153 W158 L159 F168	T151-H155 WeakPolarHBondContact O-CB 3.48Å; T151-H155 PolarHBondContact O-N 3.48Å; Y153-H155 PolarHBondContact O-N 2.89Å; H155-W158 PolarHBondContact O-N 2.98Å; H155-L159 VanDerWaalsContact CE1-CD1 3.41Å; H155-L159 WeakPolarHBondContact CE1-CD1 3.34Å; H155-L159 WeakPolarHBondContact O-CG 3.18Å; H155-L159 PolarHBondContact O-N 2.91Å; H155-F168 HydrophobicContact CB-CD2 3.61Å; H155-F168 HydrophobicContact CB-CE2 3.59Å; H155-F168 HydrophobicContact CB-CZ 4.44Å; H155-F168 AromaticContact CD2-CD2 3.57Å; H155-F168 AromaticContact CD2-CE2 3.97Å; H155-F168 AromaticContact CD2-CG 3.69Å; H155-F168 AromaticContact CG-CD2 3.98Å
156	K	74.2	Confident	71.1	Confident	117 Å²	117	63.4 Å²	63.4	51%	0.509	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-47.7	176.6	-178.6	178.4	175.5	-179.1	0	111.2	R152 Y153 L154 W158 L159 D160	R152-K156 WeakPolarHBondContact O-CB 3.29Å; R152-K156 PolarHBondContact O-N 3.15Å; Y153-K156 PolarHBondContact O-N 3.02Å; L154-K156 VanDerWaalsContact C-N 3.34Å; L154-K156 PolarHBondContact O-N 2.95Å; K156-W158 PolarHBondContact O-N 2.85Å; K156-L159 PolarHBondContact O-N 2.78Å; K156-D160 PolarHBondContact O-N 3.35Å; K156-D160 VanDerWaalsContact O-N 3.09Å
157	M	70.7	Confident	70.7	Confident	8 Å²	8	66.4 Å²	66.4	4%	0.039	33%	0.334	C	S	.	.	H	α-helix	trans	-55.1	-43.3	175.8	-73.4	-179.4	38.2	0	0	112	Y153 L154 D160 A161 F213 P214	Y153-M157 HydrophobicContact CD1-CG 4.23Å; Y153-M157 HydrophobicContact CD1-SD 3.72Å; Y153-M157 HydrophobicContact CE1-CG 3.72Å; Y153-M157 HydrophobicContact CE1-SD 3.12Å; Y153-M157 WeakPolarHBondContact CE1-SD 3.14Å; Y153-M157 WeakPolarHBondContact O-CG 3.35Å; Y153-M157 PolarHBondContact O-N 2.65Å; L154-M157 HydrophobicContact CD2-SD 4.27Å; L154-M157 WeakPolarHBondContact O-CB 3.16Å; L154-M157 PolarHBondContact O-N 2.85Å; M157-D160 PolarHBondContact O-N 2.57Å; M157-A161 WeakPolarHBondContact O-CB 3.36Å; M157-A161 PolarHBondContact O-N 3.13Å; M157-A161 VanDerWaalsContact O-N 3.1Å; M157-F213 HydrophobicContact CE-CD1 3.44Å; M157-F213 VanDerWaalsContact CE-CD1 3.44Å; M157-F213 HydrophobicContact CE-CE1 3.89Å; M157-F213 HydrophobicContact CE-CG 4.2Å; M157-F213 HydrophobicContact SD-CD1 3.57Å; M157-F213 VanDerWaalsContact SD-CD1 3.57Å; M157-F213 HydrophobicContact SD-CE1 3.97Å; M157-P214 HydrophobicContact CB-CG 4.46Å; M157-P214 VanDerWaalsContact CE-CD 3.44Å; M157-P214 HydrophobicContact CE-CG 4.43Å; M157-P214 HydrophobicContact CG-CG 3.72Å; M157-P214 HydrophobicContact SD-CG 4.24Å
158	W	73.5	Confident	70.7	Confident	5 Å²	5	68.1 Å²	68.1	2%	0.019	34%	0.341	C	S	.	.	H	α-helix	trans	-70.6	-41	-178	-73.4	-35.4	0	0	0	112.8	L154 H155 K156 D160 A161 Y162 F168 F171 F209 M210	L154-W158 HydrophobicContact CB-CE3 4.13Å; L154-W158 HydrophobicContact CB-CH2 4.02Å; L154-W158 HydrophobicContact CB-CZ2 4.47Å; L154-W158 HydrophobicContact CB-CZ3 3.84Å; L154-W158 HydrophobicContact CD1-CH2 4.19Å; L154-W158 WeakPolarHBondContact O-CB 3.17Å; L154-W158 PolarHBondContact O-N 2.96Å; H155-W158 PolarHBondContact O-N 2.98Å; K156-W158 PolarHBondContact O-N 2.85Å; W158-D160 PolarHBondContact O-N 2.89Å; W158-A161 PolarHBondContact O-N 2.77Å; W158-A161 VanDerWaalsContact O-N 3.11Å; W158-Y162 HydrophobicContact CB-CD2 4.25Å; W158-Y162 AromaticContact CD1-CD2 3.71Å; W158-Y162 AromaticContact CD1-CE2 3.58Å; W158-Y162 HydrophobicContact CG-CD2 4.31Å; W158-Y162 WeakPolarHBondContact O-CA 3.44Å; W158-Y162 WeakPolarHBondContact O-CB 2.98Å; W158-Y162 PolarHBondContact O-N 3.13Å; W158-F168 HydrophobicContact CD2-CB 4.34Å; W158-F168 HydrophobicContact CE3-CB 3.32Å; W158-F168 AromaticContact CE3-CD2 3.35Å; W158-F168 HydrophobicContact CE3-CD2 3.35Å; W158-F168 AromaticContact CE3-CG 3.76Å; W158-F168 HydrophobicContact CE3-CG 3.76Å; W158-F168 HydrophobicContact CH2-CD2 4.5Å; W158-F168 HydrophobicContact CZ3-CB 3.58Å; W158-F168 AromaticContact CZ3-CD2 3.19Å; W158-F168 HydrophobicContact CZ3-CD2 3.19Å; W158-F168 HydrophobicContact CZ3-CE2 4.11Å; W158-F168 AromaticContact CZ3-CG 3.7Å; W158-F168 HydrophobicContact CZ3-CG 3.7Å; W158-F171 HydrophobicContact CH2-CB 3.34Å; W158-F171 AromaticContact CH2-CD1 3.53Å; W158-F171 HydrophobicContact CH2-CD1 3.53Å; W158-F171 HydrophobicContact CH2-CD2 4.23Å; W158-F171 HydrophobicContact CH2-CE1 4.35Å; W158-F171 AromaticContact CH2-CG 3.44Å; W158-F171 HydrophobicContact CH2-CG 3.44Å; W158-F171 VanDerWaalsContact CH2-CG 3.44Å; W158-F171 HydrophobicContact CZ2-CB 3.89Å; W158-F171 HydrophobicContact CZ2-CD1 4.39Å; W158-F171 HydrophobicContact CZ2-CD2 4.37Å; W158-F171 AromaticContact CZ2-CG 3.97Å; W158-F171 HydrophobicContact CZ2-CG 3.97Å; W158-F171 HydrophobicContact CZ3-CB 4.21Å; W158-F171 HydrophobicContact CZ3-CD1 4.38Å; W158-F209 HydrophobicContact CZ2-CB 4.03Å; W158-F209 PolarHBondContact NE1-O 3.35Å; W158-M210 HydrophobicContact CZ2-CG 4.45Å
159	L	74.1	Confident	70.8	Confident	98 Å²	98	69.6 Å²	69.6	51%	0.513	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-30.5	173.2	-71.2	179.4	0	0	0	112.8	H155 K156	H155-L159 VanDerWaalsContact CE1-CD1 3.41Å; H155-L159 WeakPolarHBondContact CE1-CD1 3.34Å; H155-L159 WeakPolarHBondContact O-CG 3.18Å; H155-L159 PolarHBondContact O-N 2.91Å; K156-L159 PolarHBondContact O-N 2.78Å
160	D	73.1	Confident	70.9	Confident	105 Å²	105	69.7 Å²	69.7	56%	0.561	35%	0.346	S	S	*	.	H	α-helix	trans	-77.7	-24.2	176.9	-68.9	-20.3	0	0	0	112.3	K156 M157 W158	K156-D160 PolarHBondContact O-N 3.35Å; K156-D160 VanDerWaalsContact O-N 3.09Å; M157-D160 PolarHBondContact O-N 2.57Å; W158-D160 PolarHBondContact O-N 2.89Å
161	A	69	Low	70.9	Confident	72 Å²	72	69.7 Å²	69.7	60%	0.595	35%	0.346	S	S	*	.	H	α-helix	trans	-109	-22.9	-172.8	0	0	0	0	0	115.1	M157 W158	M157-A161 WeakPolarHBondContact O-CB 3.36Å; M157-A161 PolarHBondContact O-N 3.13Å; M157-A161 VanDerWaalsContact O-N 3.1Å; W158-A161 PolarHBondContact O-N 2.77Å; W158-A161 VanDerWaalsContact O-N 3.11Å
162	Y	66.2	Low	70.9	Confident	69 Å²	69	70.2 Å²	70.2	27%	0.271	35%	0.348	S	S	.	.			trans	-133.7	143.5	-172.1	-57	-90.5	0	0	0	110.7	W158 D164	W158-Y162 HydrophobicContact CB-CD2 4.25Å; W158-Y162 AromaticContact CD1-CD2 3.71Å; W158-Y162 AromaticContact CD1-CE2 3.58Å; W158-Y162 HydrophobicContact CG-CD2 4.31Å; W158-Y162 WeakPolarHBondContact O-CA 3.44Å; W158-Y162 WeakPolarHBondContact O-CB 2.98Å; W158-Y162 PolarHBondContact O-N 3.13Å; Y162-D164 VanDerWaalsContact C-N 3.29Å; Y162-D164 PolarHBondContact O-N 3.01Å
163	E	68.8	Low	71.1	Confident	211 Å²	211	66.9 Å²	66.9	99%	0.986	35%	0.347	S	S	*	.	S	Bend	trans	-71.7	-22	-178.5	-67.5	-174.5	170.6	0	0	113.3
164	D	71.1	Confident	71.2	Confident	82 Å²	82	65.2 Å²	65.2	44%	0.439	34%	0.343	S	S	.	.			trans	-121.3	155.9	-177.5	73.3	54.9	0	0	0	113.8	Y162 G166 H167	Y162-D164 VanDerWaalsContact C-N 3.29Å; Y162-D164 PolarHBondContact O-N 3.01Å; D164-G166 VanDerWaalsContact C-N 3.3Å; D164-G166 WeakPolarHBondContact OD1-CA 3.4Å; D164-G166 PolarHBondContact OD1-N 3.44Å; D164-H167 IonicContact OD1-CE1 3.82Å; D164-H167 IonicContact OD1-ND1 3.07Å; D164-H167 PolarHBondContact OD1-ND1 3.09Å
165	S	68.3	Low	71.6	Confident	51 Å²	51	73.8 Å²	73.8	36%	0.357	38%	0.383	S	S	.	.	S	Bend	trans	-86	2.5	173.1	60.8	0	0	0	0	113.4	H167 F168 E169	S165-H167 PolarHBondContact O-N 2.89Å; S165-F168 WeakPolarHBondContact O-CA 3.2Å; S165-F168 WeakPolarHBondContact O-CB 3.3Å; S165-F168 PolarHBondContact O-N 2.97Å; S165-E169 PolarHBondContact O-N 2.98Å; S165-E169 VanDerWaalsContact O-N 3.08Å
166	G	68.2	Low	72	Confident	35 Å²	35	72.3 Å²	72.3	36%	0.361	38%	0.376	S	S	.	.	H	α-helix	trans	-62.6	-35.6	-175.9	0	0	0	0	0	111.8	D164 F168 E169 Y170	D164-G166 VanDerWaalsContact C-N 3.3Å; D164-G166 WeakPolarHBondContact OD1-CA 3.4Å; D164-G166 PolarHBondContact OD1-N 3.44Å; G166-F168 VanDerWaalsContact C-N 3.3Å; G166-F168 PolarHBondContact O-N 3.36Å; G166-E169 PolarHBondContact O-N 3.33Å; G166-Y170 VanDerWaalsContact O-CB 3.29Å; G166-Y170 WeakPolarHBondContact O-CB 3.35Å; G166-Y170 PolarHBondContact O-N 3.04Å
167	H	65.8	Low	72.8	Confident	64 Å²	64	70.5 Å²	70.5	30%	0.296	37%	0.372	S	S	.	.	H	α-helix	trans	-60.8	-39.3	172.8	-65.4	78	0	0	0	112	D164 S165 F171 F209	D164-H167 IonicContact OD1-CE1 3.82Å; D164-H167 IonicContact OD1-ND1 3.07Å; D164-H167 PolarHBondContact OD1-ND1 3.09Å; S165-H167 PolarHBondContact O-N 2.89Å; H167-F171 PolarHBondContact O-N 3.23Å; H167-F209 HydrophobicContact CB-CD1 4.47Å
168	F	68.7	Low	73.6	Confident	36 Å²	36	74 Å²	74	16%	0.158	39%	0.39	C	S	.	.	H	α-helix	trans	-65.6	-53.4	177.2	174.8	-89.1	0	0	0	111.7	T151 H155 W158 S165 G166 Y170 F171 M172	T151-F168 HydrophobicContact CG2-CE2 3.53Å; T151-F168 HydrophobicContact CG2-CZ 3.37Å; H155-F168 HydrophobicContact CB-CD2 3.61Å; H155-F168 HydrophobicContact CB-CE2 3.59Å; H155-F168 HydrophobicContact CB-CZ 4.44Å; H155-F168 AromaticContact CD2-CD2 3.57Å; H155-F168 AromaticContact CD2-CE2 3.97Å; H155-F168 AromaticContact CD2-CG 3.69Å; H155-F168 AromaticContact CG-CD2 3.98Å; W158-F168 HydrophobicContact CD2-CB 4.34Å; W158-F168 HydrophobicContact CE3-CB 3.32Å; W158-F168 AromaticContact CE3-CD2 3.35Å; W158-F168 HydrophobicContact CE3-CD2 3.35Å; W158-F168 AromaticContact CE3-CG 3.76Å; W158-F168 HydrophobicContact CE3-CG 3.76Å; W158-F168 HydrophobicContact CH2-CD2 4.5Å; W158-F168 HydrophobicContact CZ3-CB 3.58Å; W158-F168 AromaticContact CZ3-CD2 3.19Å; W158-F168 HydrophobicContact CZ3-CD2 3.19Å; W158-F168 HydrophobicContact CZ3-CE2 4.11Å; W158-F168 AromaticContact CZ3-CG 3.7Å; W158-F168 HydrophobicContact CZ3-CG 3.7Å; S165-F168 WeakPolarHBondContact O-CA 3.2Å; S165-F168 WeakPolarHBondContact O-CB 3.3Å; S165-F168 PolarHBondContact O-N 2.97Å; G166-F168 VanDerWaalsContact C-N 3.3Å; G166-F168 PolarHBondContact O-N 3.36Å; F168-Y170 PolarHBondContact O-N 3.36Å; F168-F171 PolarHBondContact O-N 3.39Å; F168-M172 HydrophobicContact CD1-CG 4.26Å; F168-M172 HydrophobicContact CE1-CG 3.9Å; F168-M172 HydrophobicContact CE2-CG 4.16Å; F168-M172 HydrophobicContact CE2-SD 4.37Å; F168-M172 HydrophobicContact CZ-CE 4.33Å; F168-M172 HydrophobicContact CZ-CG 3.83Å; F168-M172 HydrophobicContact CZ-SD 4.27Å; F168-M172 VanDerWaalsContact O-CG 3.23Å; F168-M172 WeakPolarHBondContact O-CG 3.42Å; F168-M172 PolarHBondContact O-N 3.26Å
169	E	71.3	Confident	74.3	Confident	129 Å²	129	75.9 Å²	75.9	60%	0.603	40%	0.4	S	S	*	.	H	α-helix	trans	-59.4	-39.3	-179.4	-68	179.5	-173	0	0	111	S165 G166 M172 S173	S165-E169 PolarHBondContact O-N 2.98Å; S165-E169 VanDerWaalsContact O-N 3.08Å; G166-E169 PolarHBondContact O-N 3.33Å; E169-M172 PolarHBondContact O-N 2.91Å; E169-S173 PolarHBondContact O-N 2.75Å
170	Y	68.6	Low	74.9	Confident	98 Å²	98	72.4 Å²	72.4	38%	0.384	38%	0.38	S	S	.	.	H	α-helix	trans	-65.5	-49.7	178	-165.1	-74.9	0	0	0	112.3	G166 F168 M172 S173 A174 Y207 F209	G166-Y170 VanDerWaalsContact O-CB 3.29Å; G166-Y170 WeakPolarHBondContact O-CB 3.35Å; G166-Y170 PolarHBondContact O-N 3.04Å; F168-Y170 PolarHBondContact O-N 3.36Å; Y170-M172 PolarHBondContact O-N 3.41Å; Y170-S173 WeakPolarHBondContact CA-OG 3.49Å; Y170-S173 CarbonylContact O-C 3.57Å; Y170-S173 VanDerWaalsContact O-C 3.32Å; Y170-S173 VanDerWaalsContact O-CA 3.31Å; Y170-S173 WeakPolarHBondContact O-CA 3.35Å; Y170-S173 WeakPolarHBondContact O-CB 3.49Å; Y170-S173 PolarHBondContact O-N 2.91Å; Y170-S173 PolarHBondContact O-OG 2.67Å; Y170-A174 PolarHBondContact O-N 3.32Å; Y170-Y207 HydrophobicContact CE1-CD1 4.12Å; Y170-Y207 HydrophobicContact CE1-CD2 4.01Å; Y170-Y207 AromaticContact CE1-CE1 3.66Å; Y170-Y207 HydrophobicContact CE1-CE1 3.66Å; Y170-Y207 AromaticContact CE1-CE2 3.52Å; Y170-Y207 HydrophobicContact CE1-CE2 3.52Å; Y170-Y207 HydrophobicContact CE1-CG 4.3Å; Y170-Y207 AromaticContact CE1-CZ 3.36Å; Y170-Y207 AromaticContact CZ-CE1 3.73Å; Y170-Y207 AromaticContact CZ-CZ 3.51Å; Y170-Y207 PolarHBondContact OH-OH 2.71Å; Y170-F209 AromaticContact CD1-CE1 3.91Å; Y170-F209 HydrophobicContact CD1-CE1 3.91Å; Y170-F209 AromaticContact CD1-CE2 3.69Å; Y170-F209 HydrophobicContact CD1-CE2 3.69Å; Y170-F209 AromaticContact CD1-CZ 3.04Å; Y170-F209 HydrophobicContact CD1-CZ 3.04Å; Y170-F209 HydrophobicContact CE1-CE2 4.09Å; Y170-F209 AromaticContact CE1-CZ 3.6Å; Y170-F209 HydrophobicContact CE1-CZ 3.6Å; Y170-F209 HydrophobicContact CG-CE1 4.35Å; Y170-F209 AromaticContact CG-CZ 3.88Å; Y170-F209 HydrophobicContact CG-CZ 3.88Å
171	F	72.3	Confident	75.6	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.009	38%	0.38	C	S	.	.	H	α-helix	trans	-58.5	-39.2	178.9	175.9	-92.8	0	0	0	111.8	I108 V146 L154 W158 H167 F168 S173 A174 I202 F209 M210	I108-F171 HydrophobicContact CD1-CZ 3.81Å; I108-F171 HydrophobicContact CG1-CZ 4.25Å; I108-F171 HydrophobicContact CG2-CE2 4.28Å; V146-F171 HydrophobicContact CG1-CE1 3.71Å; V146-F171 HydrophobicContact CG1-CZ 4.08Å; V146-F171 HydrophobicContact CG2-CE1 4.23Å; L154-F171 HydrophobicContact CD1-CD1 4.25Å; L154-F171 HydrophobicContact CD1-CE1 3.66Å; L154-F171 HydrophobicContact CD1-CZ 4.12Å; W158-F171 HydrophobicContact CH2-CB 3.34Å; W158-F171 AromaticContact CH2-CD1 3.53Å; W158-F171 HydrophobicContact CH2-CD1 3.53Å; W158-F171 HydrophobicContact CH2-CD2 4.23Å; W158-F171 HydrophobicContact CH2-CE1 4.35Å; W158-F171 AromaticContact CH2-CG 3.44Å; W158-F171 HydrophobicContact CH2-CG 3.44Å; W158-F171 VanDerWaalsContact CH2-CG 3.44Å; W158-F171 HydrophobicContact CZ2-CB 3.89Å; W158-F171 HydrophobicContact CZ2-CD1 4.39Å; W158-F171 HydrophobicContact CZ2-CD2 4.37Å; W158-F171 AromaticContact CZ2-CG 3.97Å; W158-F171 HydrophobicContact CZ2-CG 3.97Å; W158-F171 HydrophobicContact CZ3-CB 4.21Å; W158-F171 HydrophobicContact CZ3-CD1 4.38Å; H167-F171 PolarHBondContact O-N 3.23Å; F168-F171 PolarHBondContact O-N 3.39Å; F171-S173 PolarHBondContact O-N 3.19Å; F171-A174 WeakPolarHBondContact O-CB 3.38Å; F171-A174 PolarHBondContact O-N 3.16Å; F171-I202 HydrophobicContact CE2-CG2 4.03Å; F171-I202 HydrophobicContact CZ-CD1 4.3Å; F171-I202 HydrophobicContact CZ-CG2 4.36Å; F171-F209 HydrophobicContact CB-CD2 4.1Å; F171-F209 HydrophobicContact CB-CE2 4.41Å; F171-F209 HydrophobicContact CB-CG 4.33Å; F171-F209 HydrophobicContact CD2-CB 4.29Å; F171-F209 AromaticContact CD2-CD2 3.71Å; F171-F209 HydrophobicContact CD2-CD2 3.71Å; F171-F209 HydrophobicContact CD2-CE2 4.46Å; F171-F209 HydrophobicContact CD2-CG 4.28Å; F171-F209 HydrophobicContact CG-CD2 4.41Å; F171-M210 HydrophobicContact CE2-CE 4.44Å
172	M	74.2	Confident	76.6	Confident	29 Å²	29	67.7 Å²	67.7	14%	0.143	36%	0.357	C	S	.	.	H	α-helix	trans	-64.6	-22.1	175.5	-63.2	-61.4	-79.7	0	0	112.7	D144 P145 V146 T151 F168 E169 Y170	D144-M172 HydrophobicContact CB-CE 4.47Å; P145-M172 HydrophobicContact CG-CE 4.49Å; P145-M172 HydrophobicContact CG-SD 4.46Å; V146-M172 HydrophobicContact CG2-SD 4.17Å; T151-M172 HydrophobicContact CG2-CE 3.7Å; T151-M172 HydrophobicContact CG2-SD 4.26Å; F168-M172 HydrophobicContact CD1-CG 4.26Å; F168-M172 HydrophobicContact CE1-CG 3.9Å; F168-M172 HydrophobicContact CE2-CG 4.16Å; F168-M172 HydrophobicContact CE2-SD 4.37Å; F168-M172 HydrophobicContact CZ-CE 4.33Å; F168-M172 HydrophobicContact CZ-CG 3.83Å; F168-M172 HydrophobicContact CZ-SD 4.27Å; F168-M172 VanDerWaalsContact O-CG 3.23Å; F168-M172 WeakPolarHBondContact O-CG 3.42Å; F168-M172 PolarHBondContact O-N 3.26Å; E169-M172 PolarHBondContact O-N 2.91Å; Y170-M172 PolarHBondContact O-N 3.41Å
173	S	76	Confident	77.8	Confident	80 Å²	80	65.8 Å²	65.8	56%	0.559	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	0.1	173.5	77.8	0	0	0	0	114.6	E169 Y170 F171	E169-S173 PolarHBondContact O-N 2.75Å; Y170-S173 WeakPolarHBondContact CA-OG 3.49Å; Y170-S173 CarbonylContact O-C 3.57Å; Y170-S173 VanDerWaalsContact O-C 3.32Å; Y170-S173 VanDerWaalsContact O-CA 3.31Å; Y170-S173 WeakPolarHBondContact O-CA 3.35Å; Y170-S173 WeakPolarHBondContact O-CB 3.49Å; Y170-S173 PolarHBondContact O-N 2.91Å; Y170-S173 PolarHBondContact O-OG 2.67Å; F171-S173 PolarHBondContact O-N 3.19Å
174	A	75.3	Confident	78.7	Confident	9 Å²	9	55.8 Å²	55.8	7%	0.074	31%	0.306	C	S	.	.			trans	-59.6	146.9	-177.1	0	0	0	0	0	111.2	Y170 F171 I202	Y170-A174 PolarHBondContact O-N 3.32Å; F171-A174 WeakPolarHBondContact O-CB 3.38Å; F171-A174 PolarHBondContact O-N 3.16Å; A174-I202 HydrophobicContact CB-CG2 4.27Å
175	E	79.6	Confident	79.4	Confident	181 Å²	181	56.5 Å²	56.5	85%	0.846	30%	0.303	S	S	*	.			trans	-63.8	136.9	177.8	-170.5	171.8	-172	0	0	110.3
176	Q	84.1	Confident	80.3	Confident	38 Å²	38	56.8 Å²	56.8	18%	0.178	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125	-176.1	-62.6	170.4	36.2	0	0	109.3	I178 I202	Q176-I178 HydrophobicContact CB-CG1 4.47Å; Q176-I178 PolarHBondContact O-N 2.7Å; Q176-I202 HydrophobicContact CG-CG1 4.18Å
177	D	88.9	Confident	81.1	Confident	78 Å²	78	62 Å²	62	42%	0.417	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	97.8	166	178.2	21.8	0	0	0	108.1	I179 S200 V201 K233	D177-I179 PolarHBondContact O-N 3.27Å; D177-I179 WeakPolarHBondContact OD2-CD1 3.3Å; D177-S200 CarbonylContact O-C 3.52Å; D177-S200 WeakPolarHBondContact O-CA 3.45Å; D177-V201 HydrophobicContact CB-CB 4.24Å; D177-V201 PolarHBondContact N-O 2.91Å; D177-V201 PolarHBondContact O-N 3.45Å; D177-K233 IonicContact OD2-NZ 2.76Å; D177-K233 PolarHBondContact OD2-NZ 3.27Å
178	I	88.1	Confident	82.2	Confident	82 Å²	82	59.7 Å²	59.7	42%	0.421	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	106.6	-178.6	-57	175.1	0	0	0	108.9	Q176 A181	Q176-I178 HydrophobicContact CB-CG1 4.47Å; Q176-I178 PolarHBondContact O-N 2.7Å; I178-A181 HydrophobicContact CG2-CB 4.05Å
179	I	88	Confident	83.3	Confident	45 Å²	45	58 Å²	58	23%	0.231	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	-42.5	178.1	-53.5	-55.3	0	0	0	110.9	D177 F199 V201 K233	D177-I179 PolarHBondContact O-N 3.27Å; D177-I179 WeakPolarHBondContact OD2-CD1 3.3Å; I179-F199 HydrophobicContact CB-CD1 3.67Å; I179-F199 HydrophobicContact CB-CD2 4.49Å; I179-F199 HydrophobicContact CB-CE1 3.91Å; I179-F199 HydrophobicContact CB-CG 4.01Å; I179-F199 HydrophobicContact CB-CZ 4.41Å; I179-F199 HydrophobicContact CG1-CD1 4.37Å; I179-F199 HydrophobicContact CG1-CE1 4.25Å; I179-F199 HydrophobicContact CG1-CE2 4.4Å; I179-F199 HydrophobicContact CG1-CZ 4.27Å; I179-F199 HydrophobicContact CG2-CD1 3.61Å; I179-F199 HydrophobicContact CG2-CE1 3.57Å; I179-F199 HydrophobicContact CG2-CG 4.44Å; I179-F199 HydrophobicContact CG2-CZ 4.36Å; I179-F199 PolarHBondContact N-O 2.87Å; I179-V201 HydrophobicContact CD1-CG2 4.22Å; I179-V201 HydrophobicContact CG1-CG2 3.98Å; I179-K233 HydrophobicContact CD1-CB 4.31Å; I179-K233 HydrophobicContact CD1-CD 3.84Å; I179-K233 HydrophobicContact CD1-CG 3.95Å; I179-K233 HydrophobicContact CG1-CG 4.31Å; I179-K233 VanDerWaalsContact CG2-O 3.3Å; I179-K233 WeakPolarHBondContact CG2-O 3.37Å
180	Y	87.9	Confident	84.3	Confident	25 Å²	25	51.9 Å²	51.9	10%	0.098	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	138.9	177.1	-179.8	-97.5	0	0	0	111.1	P183 I184 I197 F199 V237 V239	Y180-P183 PolarHBondContact OH-O 2.75Å; Y180-I184 HydrophobicContact CE1-CG2 3.91Å; Y180-I197 HydrophobicContact CD1-CD1 3.9Å; Y180-I197 HydrophobicContact CD1-CG1 3.64Å; Y180-I197 HydrophobicContact CE1-CD1 4.3Å; Y180-I197 HydrophobicContact CE1-CG1 3.88Å; Y180-F199 PolarHBondContact N-O 2.68Å; Y180-F199 VanDerWaalsContact N-O 3.1Å; Y180-F199 PolarHBondContact O-N 3.4Å; Y180-V237 HydrophobicContact CD1-CG1 3.82Å; Y180-V237 HydrophobicContact CD2-CG1 4.47Å; Y180-V237 HydrophobicContact CE1-CG1 4.26Å; Y180-V237 HydrophobicContact CG-CG1 3.93Å; Y180-V239 HydrophobicContact CD2-CB 4.28Å; Y180-V239 HydrophobicContact CD2-CG1 3.86Å; Y180-V239 HydrophobicContact CD2-CG2 3.85Å; Y180-V239 HydrophobicContact CE2-CG1 4Å; Y180-V239 HydrophobicContact CG-CG2 4.4Å
181	A	88.1	Confident	85.5	Confident	66 Å²	66	47.3 Å²	47.3	55%	0.545	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	117.2	171.6	0	0	0	0	0	109.3	I178 I197	I178-A181 HydrophobicContact CG2-CB 4.05Å; A181-I197 WeakPolarHBondContact CA-O 3.48Å
182	G	89.7	Confident	86.5	Confident	12 Å²	12	47.2 Å²	47.2	12%	0.124	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.6	-174.3	177.6	0	0	0	0	0	115.5	S196 I197	G182-S196 CarbonylContact O-C 3.45Å; G182-S196 VanDerWaalsContact O-CA 3.24Å; G182-S196 WeakPolarHBondContact O-CA 3.44Å; G182-S196 WeakPolarHBondContact O-CB 3.3Å; G182-I197 PolarHBondContact N-O 3.03Å; G182-I197 PolarHBondContact O-N 2.71Å
183	P	90.5	Very high	87.5	Confident	28 Å²	28	45.9 Å²	45.9	18%	0.182	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	138.6	-178.2	-19.4	32.2	0	0	0	112.4	P83 L84 Y180 L195 S196	P83-P183 HydrophobicContact CB-CG 4.13Å; P83-P183 HydrophobicContact CG-CB 3.76Å; P83-P183 HydrophobicContact CG-CG 3.32Å; L84-P183 HydrophobicContact CD1-CB 4.14Å; L84-P183 HydrophobicContact CD2-CB 4.01Å; L84-P183 HydrophobicContact CG-CB 3.93Å; Y180-P183 PolarHBondContact OH-O 2.75Å; P183-L195 WeakPolarHBondContact CA-O 3.41Å; P183-S196 WeakPolarHBondContact CA-OG 3.21Å
184	I	88	Confident	88.3	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	146.6	172.7	64.8	163.8	0	0	0	112.1	L84 Y180 H186 N189 L195 I197 Q242 L244	L84-I184 WeakPolarHBondContact CD1-O 3.37Å; Y180-I184 HydrophobicContact CE1-CG2 3.91Å; I184-H186 PolarHBondContact O-N 3.18Å; I184-N189 PolarHBondContact O-ND2 2.9Å; I184-L195 HydrophobicContact CD1-CD2 3.68Å; I184-L195 HydrophobicContact CD1-CG 4.07Å; I184-L195 HydrophobicContact CG1-CB 4.07Å; I184-L195 HydrophobicContact CG1-CD2 3.99Å; I184-L195 HydrophobicContact CG1-CG 3.9Å; I184-L195 PolarHBondContact N-O 2.87Å; I184-I197 HydrophobicContact CD1-CG2 3.35Å; I184-I197 HydrophobicContact CG1-CG2 3.76Å; I184-I197 HydrophobicContact CG2-CB 4.43Å; I184-I197 HydrophobicContact CG2-CD1 3.64Å; I184-I197 HydrophobicContact CG2-CG1 3.67Å; I184-I197 HydrophobicContact CG2-CG2 4.04Å; I184-Q242 CarbonylContact C-O 3.4Å; I184-Q242 WeakPolarHBondContact CA-O 3.36Å; I184-Q242 VanDerWaalsContact CB-O 3.3Å; I184-Q242 WeakPolarHBondContact CB-O 3.1Å; I184-L244 HydrophobicContact CD1-CD1 3.69Å; I184-L244 HydrophobicContact CD1-CG 3.83Å
185	R	86.8	Confident	88.9	Confident	97 Å²	97	43 Å²	43	37%	0.366	22%	0.215	S	C	.	.			trans	-63.6	122.2	167.7	-67.3	-173.3	-178	-92.6	1.5	108.5	Q43 L84 K241 Q242 T243	Q43-R185 VanDerWaalsContact OE1-NH1 3.08Å; L84-R185 HydrophobicContact CD1-CG 4.09Å; R185-K241 WeakPolarHBondContact CD-O 3.45Å; R185-K241 PolarHBondContact NE-O 3.17Å; R185-Q242 PolarHBondContact N-O 3.19Å; R185-T243 HydrophobicContact CB-CG2 3.73Å; R185-T243 HydrophobicContact CG-CG2 4.38Å
186	H	86.6	Confident	89.3	Confident	58 Å²	58	34.4 Å²	34.4	27%	0.269	18%	0.175	S	C	.	.			trans	-143.4	143.8	177.7	-170.7	-107.1	0	0	0	109	I184 H188 N189 L195	I184-H186 PolarHBondContact O-N 3.18Å; H186-H188 AromaticContact CE1-CE1 3.91Å; H186-H188 AromaticContact CE1-CG 3.68Å; H186-H188 AromaticContact CE1-ND1 3.15Å; H186-H188 PolarHBondContact CE1-ND1 3.39Å; H186-H188 AromaticContact ND1-CG 3.74Å; H186-H188 PolarHBondContact ND1-N 2.88Å; H186-H188 AromaticContact ND1-ND1 3.66Å; H186-H188 PolarHBondContact O-N 3.46Å; H186-N189 PolarHBondContact N-ND2 2.85Å; H186-N189 VanDerWaalsContact O-CB 3.28Å; H186-N189 WeakPolarHBondContact O-CB 3.48Å; H186-N189 PolarHBondContact O-N 2.85Å; H186-L195 HydrophobicContact CB-CB 4.19Å; H186-L195 HydrophobicContact CB-CD2 4.09Å
187	K	84	Confident	89.3	Confident	143 Å²	143	32.7 Å²	32.7	62%	0.622	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.9	-178.1	65.5	176.2	178.8	-178	0	114.4
188	H	88.6	Confident	89.1	Confident	17 Å²	17	29.9 Å²	29.9	8%	0.079	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-4.6	177.2	-57.9	147.9	0	0	0	113.8	Y27 D28 K94 F95 H186 T190	Y27-H188 WeakPolarHBondContact OH-CA 3.07Å; Y27-H188 PolarHBondContact OH-O 2.95Å; D28-H188 VanDerWaalsContact CG-NE2 3.29Å; D28-H188 IonicContact OD1-CD2 3.98Å; D28-H188 IonicContact OD1-CE1 3.62Å; D28-H188 IonicContact OD1-NE2 2.7Å; D28-H188 PolarHBondContact OD1-NE2 3.05Å; D28-H188 IonicContact OD2-NE2 2.68Å; K94-H188 HydrophobicContact CB-CB 4.49Å; F95-H188 HydrophobicContact CE1-CB 4.16Å; F95-H188 HydrophobicContact CE2-CB 4.25Å; F95-H188 WeakPolarHBondContact CE2-O 3.14Å; F95-H188 HydrophobicContact CZ-CB 3.83Å; H186-H188 AromaticContact CE1-CE1 3.91Å; H186-H188 AromaticContact CE1-CG 3.68Å; H186-H188 AromaticContact CE1-ND1 3.15Å; H186-H188 PolarHBondContact CE1-ND1 3.39Å; H186-H188 AromaticContact ND1-CG 3.74Å; H186-H188 PolarHBondContact ND1-N 2.88Å; H186-H188 AromaticContact ND1-ND1 3.66Å; H186-H188 PolarHBondContact O-N 3.46Å; H188-T190 PolarHBondContact O-N 2.61Å
189	N	91.9	Very high	88.9	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.			trans	-57.7	139.1	173.8	-71	-5.4	0	0	0	111.1	Q87 F95 I184 H186 W194 L195	Q87-N189 HydrophobicContact CG-CB 3.97Å; F95-N189 WeakPolarHBondContact CZ-OD1 3.39Å; I184-N189 PolarHBondContact O-ND2 2.9Å; H186-N189 PolarHBondContact N-ND2 2.85Å; H186-N189 VanDerWaalsContact O-CB 3.28Å; H186-N189 WeakPolarHBondContact O-CB 3.48Å; H186-N189 PolarHBondContact O-N 2.85Å; N189-W194 WeakPolarHBondContact OD1-CA 3.49Å; N189-L195 PolarHBondContact OD1-N 3.42Å
190	T	93.3	Very high	88.8	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.119	C	C	.	.			trans	-121.6	176.5	171.4	74	0	0	0	0	108.4	Y27 N82 Q87 V89 G91 H188 N192 A193	Y27-T190 HydrophobicContact CE2-CG2 4.17Å; N82-T190 WeakPolarHBondContact CB-O 3.4Å; N82-T190 PolarHBondContact ND2-O 3.23Å; Q87-T190 VanDerWaalsContact CG-C 3.49Å; Q87-T190 WeakPolarHBondContact CG-O 3.29Å; V89-T190 HydrophobicContact CG2-CG2 3.85Å; V89-T190 WeakPolarHBondContact O-CA 3.45Å; V89-T190 WeakPolarHBondContact O-CB 3.44Å; G91-T190 WeakPolarHBondContact O-CB 2.99Å; G91-T190 PolarHBondContact O-OG1 2.92Å; H188-T190 PolarHBondContact O-N 2.61Å; T190-N192 PolarHBondContact O-N 3.15Å; T190-N192 PolarHBondContact OG1-N 3.24Å; T190-N192 VanDerWaalsContact OG1-N 3.15Å; T190-A193 PolarHBondContact N-O 3.31Å; T190-A193 PolarHBondContact OG1-N 3.02Å; T190-A193 PolarHBondContact OG1-O 2.73Å
191	D	93.8	Very high	88.8	Confident	2 Å²	2	23 Å²	23	1%	0.011	12%	0.117	C	C	.	.	S	Bend	trans	-60.8	-25.9	172.8	-73.5	10.4	0	0	0	113.3	W45 Y52 P54 N82 R86 Q87 G88 V89	W45-D191 HydrophobicContact CH2-CB 3.77Å; W45-D191 HydrophobicContact CZ2-CB 3.9Å; W45-D191 WeakPolarHBondContact CZ2-O 3.36Å; Y52-D191 WeakPolarHBondContact CE1-OD2 3.49Å; Y52-D191 VanDerWaalsContact CZ-OD2 3.27Å; Y52-D191 PolarHBondContact OH-OD1 3.2Å; Y52-D191 PolarHBondContact OH-OD2 3.16Å; P54-D191 WeakPolarHBondContact CG-OD2 3.48Å; N82-D191 WeakPolarHBondContact CB-O 3.2Å; N82-D191 PolarHBondContact N-O 2.89Å; R86-D191 WeakPolarHBondContact CA-OD1 3.48Å; Q87-D191 PolarHBondContact N-OD1 2.8Å; G88-D191 PolarHBondContact N-OD1 2.89Å; V89-D191 WeakPolarHBondContact O-CB 3.46Å; V89-D191 VanDerWaalsContact O-CG 3.3Å; V89-D191 PolarHBondContact O-N 3.21Å
192	N	94.1	Very high	88.8	Confident	1 Å²	1	20 Å²	20	1%	0.005	9%	0.091	C	C	.	.	S	Bend	trans	-122	0	-171.5	-46.7	115.6	0	0	0	114.6	D77 R79 P80 S90 G91 L98 G99 T190	D77-N192 PolarHBondContact OD2-ND2 2.82Å; D77-N192 PolarHBondContact OD2-OD1 2.74Å; R79-N192 HydrophobicContact CB-CB 4.03Å; R79-N192 VanDerWaalsContact CZ-OD1 3.28Å; R79-N192 PolarHBondContact NE-OD1 3.19Å; R79-N192 PolarHBondContact NH2-OD1 2.72Å; P80-N192 VanDerWaalsContact O-CA 3.24Å; P80-N192 WeakPolarHBondContact O-CA 2.94Å; P80-N192 PolarHBondContact O-ND2 2.71Å; S90-N192 WeakPolarHBondContact CB-OD1 3.3Å; G91-N192 PolarHBondContact N-OD1 3.35Å; L98-N192 CarbonylContact C-O 3.57Å; L98-N192 HydrophobicContact CD2-CB 3.78Å; G99-N192 PolarHBondContact N-O 2.73Å; T190-N192 PolarHBondContact O-N 3.15Å; T190-N192 PolarHBondContact OG1-N 3.24Å; T190-N192 VanDerWaalsContact OG1-N 3.15Å
193	A	93.8	Very high	88.7	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	130.7	177.5	0	0	0	0	0	109.8	F95 G99 T190	F95-A193 HydrophobicContact CB-CB 4.25Å; F95-A193 HydrophobicContact CD2-CB 3.65Å; F95-A193 HydrophobicContact CE2-CB 4.47Å; F95-A193 WeakPolarHBondContact CE2-O 3.27Å; F95-A193 HydrophobicContact CG-CB 4.41Å; G99-A193 VanDerWaalsContact O-CA 3.3Å; G99-A193 WeakPolarHBondContact O-CA 3.43Å; T190-A193 PolarHBondContact N-O 3.31Å; T190-A193 PolarHBondContact OG1-N 3.02Å; T190-A193 PolarHBondContact OG1-O 2.73Å
194	W	92.9	Very high	88.4	Confident	25 Å²	25	22.4 Å²	22.4	10%	0.095	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	157.6	-175.6	61	94.7	0	0	0	111.8	P80 K81 N82 P83 G99 E100 N101 N189	P80-W194 HydrophobicContact CB-CH2 3.9Å; P80-W194 HydrophobicContact CB-CZ3 3.85Å; K81-W194 WeakPolarHBondContact O-CH2 3.24Å; K81-W194 WeakPolarHBondContact O-CZ3 3.36Å; N82-W194 VanDerWaalsContact CA-CE3 3.46Å; N82-W194 HydrophobicContact CB-CD2 4.47Å; N82-W194 HydrophobicContact CB-CE3 3.87Å; N82-W194 HydrophobicContact CB-CZ3 4.43Å; P83-W194 VanDerWaalsContact CD-CD2 3.41Å; P83-W194 HydrophobicContact CG-CD2 4.28Å; P83-W194 HydrophobicContact CG-CG 4.42Å; P83-W194 HydrophobicContact CG-CZ2 4.19Å; G99-W194 PolarHBondContact O-N 3.28Å; E100-W194 HydrophobicContact CB-CZ2 3.84Å; N101-W194 PolarHBondContact N-O 2.98Å; N189-W194 WeakPolarHBondContact OD1-CA 3.49Å
195	L	88.3	Confident	88.3	Confident	5 Å²	5	23.9 Å²	23.9	3%	0.026	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131.9	171	-171.1	56.8	0	0	0	110	F95 N101 F103 W134 P183 I184 H186 N189 I197	F95-L195 HydrophobicContact CE1-CB 4.34Å; F95-L195 HydrophobicContact CZ-CB 4.04Å; N101-L195 CarbonylContact O-C 3.52Å; N101-L195 WeakPolarHBondContact O-CA 3.35Å; N101-L195 WeakPolarHBondContact O-CD1 3.42Å; F103-L195 HydrophobicContact CB-CD1 3.73Å; W134-L195 HydrophobicContact CE3-CD1 4.22Å; W134-L195 HydrophobicContact CH2-CD1 3.87Å; W134-L195 HydrophobicContact CH2-CD2 4.21Å; W134-L195 HydrophobicContact CZ3-CD1 3.47Å; W134-L195 VanDerWaalsContact CZ3-CD1 3.47Å; P183-L195 WeakPolarHBondContact CA-O 3.41Å; I184-L195 HydrophobicContact CD1-CD2 3.68Å; I184-L195 HydrophobicContact CD1-CG 4.07Å; I184-L195 HydrophobicContact CG1-CB 4.07Å; I184-L195 HydrophobicContact CG1-CD2 3.99Å; I184-L195 HydrophobicContact CG1-CG 3.9Å; I184-L195 PolarHBondContact N-O 2.87Å; H186-L195 HydrophobicContact CB-CB 4.19Å; H186-L195 HydrophobicContact CB-CD2 4.09Å; N189-L195 PolarHBondContact OD1-N 3.42Å; L195-I197 HydrophobicContact CG-CG2 4.47Å
196	S	88.3	Confident	87.9	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	142.8	164.1	-75.2	0	0	0	0	109.8	E100 N101 A102 F103 G182 P183	E100-S196 VanDerWaalsContact CD-OG 3.25Å; E100-S196 WeakPolarHBondContact CG-OG 3.07Å; E100-S196 WeakPolarHBondContact OE1-CB 3.3Å; E100-S196 PolarHBondContact OE1-OG 3.17Å; N101-S196 PolarHBondContact O-N 3.24Å; A102-S196 CarbonylContact C-O 3.58Å; A102-S196 WeakPolarHBondContact CA-O 3.23Å; F103-S196 PolarHBondContact N-O 3.1Å; G182-S196 CarbonylContact O-C 3.45Å; G182-S196 VanDerWaalsContact O-CA 3.24Å; G182-S196 WeakPolarHBondContact O-CA 3.44Å; G182-S196 WeakPolarHBondContact O-CB 3.3Å; P183-S196 WeakPolarHBondContact CA-OG 3.21Å
197	I	84.6	Confident	87.1	Confident	1 Å²	1	27.9 Å²	27.9	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	152.3	177.4	74.4	178.6	0	0	0	111.6	F103 Y180 A181 G182 I184 L195 V237 L244	F103-I197 HydrophobicContact CB-CG2 4.2Å; F103-I197 HydrophobicContact CD1-CG2 4.33Å; F103-I197 CarbonylContact O-C 3.56Å; F103-I197 WeakPolarHBondContact O-CA 3.5Å; Y180-I197 HydrophobicContact CD1-CD1 3.9Å; Y180-I197 HydrophobicContact CD1-CG1 3.64Å; Y180-I197 HydrophobicContact CE1-CD1 4.3Å; Y180-I197 HydrophobicContact CE1-CG1 3.88Å; A181-I197 WeakPolarHBondContact CA-O 3.48Å; G182-I197 PolarHBondContact N-O 3.03Å; G182-I197 PolarHBondContact O-N 2.71Å; I184-I197 HydrophobicContact CD1-CG2 3.35Å; I184-I197 HydrophobicContact CG1-CG2 3.76Å; I184-I197 HydrophobicContact CG2-CB 4.43Å; I184-I197 HydrophobicContact CG2-CD1 3.64Å; I184-I197 HydrophobicContact CG2-CG1 3.67Å; I184-I197 HydrophobicContact CG2-CG2 4.04Å; L195-I197 HydrophobicContact CG-CG2 4.47Å; I197-V237 HydrophobicContact CD1-CB 4.36Å; I197-V237 HydrophobicContact CD1-CG1 3.99Å; I197-V237 HydrophobicContact CD1-CG2 3.39Å; I197-L244 HydrophobicContact CD1-CD2 3.97Å
198	R	83.6	Confident	86.7	Confident	20 Å²	20	25.4 Å²	25.4	8%	0.075	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	106.9	159.3	-178.5	173.8	178.8	153.8	-3	108.3	F103 V104 L105 F141	F103-R198 PolarHBondContact O-N 3.5Å; V104-R198 HydrophobicContact CG1-CB 4.41Å; L105-R198 PolarHBondContact N-O 3.17Å; F141-R198 HydrophobicContact CD1-CB 3.9Å; F141-R198 HydrophobicContact CD2-CB 4.44Å; F141-R198 HydrophobicContact CE1-CB 3.92Å; F141-R198 HydrophobicContact CE2-CB 4.48Å; F141-R198 HydrophobicContact CG-CB 4.16Å; F141-R198 HydrophobicContact CZ-CB 4.21Å; F141-R198 PolarHBondContact O-NH1 2.94Å
199	F	84.9	Confident	85.6	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	116.2	173.1	176.6	-157.4	0	0	0	108.5	L105 V107 I179 Y180 I232 V237	L105-F199 HydrophobicContact CB-CB 4.5Å; L105-F199 HydrophobicContact CB-CD2 4.46Å; L105-F199 HydrophobicContact CD2-CB 4.32Å; L105-F199 HydrophobicContact CD2-CD2 3.79Å; L105-F199 HydrophobicContact CD2-CE2 4.25Å; L105-F199 HydrophobicContact CD2-CG 3.99Å; L105-F199 HydrophobicContact CG-CD2 4.15Å; L105-F199 WeakPolarHBondContact O-CA 3.19Å; L105-F199 VanDerWaalsContact O-CD2 3.3Å; L105-F199 WeakPolarHBondContact O-CD2 3.49Å; V107-F199 HydrophobicContact CB-CE2 4.38Å; V107-F199 HydrophobicContact CG2-CD2 4.49Å; V107-F199 HydrophobicContact CG2-CE2 3.62Å; V107-F199 HydrophobicContact CG2-CZ 4.44Å; I179-F199 HydrophobicContact CB-CD1 3.67Å; I179-F199 HydrophobicContact CB-CD2 4.49Å; I179-F199 HydrophobicContact CB-CE1 3.91Å; I179-F199 HydrophobicContact CB-CG 4.01Å; I179-F199 HydrophobicContact CB-CZ 4.41Å; I179-F199 HydrophobicContact CG1-CD1 4.37Å; I179-F199 HydrophobicContact CG1-CE1 4.25Å; I179-F199 HydrophobicContact CG1-CE2 4.4Å; I179-F199 HydrophobicContact CG1-CZ 4.27Å; I179-F199 HydrophobicContact CG2-CD1 3.61Å; I179-F199 HydrophobicContact CG2-CE1 3.57Å; I179-F199 HydrophobicContact CG2-CG 4.44Å; I179-F199 HydrophobicContact CG2-CZ 4.36Å; I179-F199 PolarHBondContact N-O 2.87Å; Y180-F199 PolarHBondContact N-O 2.68Å; Y180-F199 VanDerWaalsContact N-O 3.1Å; Y180-F199 PolarHBondContact O-N 3.4Å; F199-I232 HydrophobicContact CZ-CG2 4.04Å; F199-V237 HydrophobicContact CB-CG2 4.08Å; F199-V237 HydrophobicContact CD1-CB 4.16Å; F199-V237 HydrophobicContact CD1-CG2 3.5Å; F199-V237 VanDerWaalsContact CD1-CG2 3.5Å; F199-V237 HydrophobicContact CE1-CG2 4.26Å; F199-V237 HydrophobicContact CG-CG2 4.08Å
200	S	85.9	Confident	84.5	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.2	178.6	53.5	0	0	0	0	111.6	L105 P106 V107 D177	L105-S200 PolarHBondContact O-N 2.9Å; P106-S200 CarbonylContact C-O 3.49Å; P106-S200 WeakPolarHBondContact CA-O 3.27Å; V107-S200 PolarHBondContact N-O 2.95Å; D177-S200 CarbonylContact O-C 3.52Å; D177-S200 WeakPolarHBondContact O-CA 3.45Å
201	V	87.8	Confident	83.3	Confident	7 Å²	7	27.8 Å²	27.8	4%	0.042	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.4	166.2	179.8	0	0	0	0	108.6	V107 V109 D177 I179 K233	V107-V201 HydrophobicContact CB-CG2 4.13Å; V107-V201 HydrophobicContact CG1-CG2 4.46Å; V107-V201 CarbonylContact O-C 3.48Å; V107-V201 VanDerWaalsContact O-CA 3.27Å; V107-V201 WeakPolarHBondContact O-CA 3.28Å; V107-V201 WeakPolarHBondContact O-CG1 3.34Å; V109-V201 HydrophobicContact CG1-CG1 4.44Å; V109-V201 HydrophobicContact CG2-CG1 3.73Å; D177-V201 HydrophobicContact CB-CB 4.24Å; D177-V201 PolarHBondContact N-O 2.91Å; D177-V201 PolarHBondContact O-N 3.45Å; I179-V201 HydrophobicContact CD1-CG2 4.22Å; I179-V201 HydrophobicContact CG1-CG2 3.98Å; V201-K233 HydrophobicContact CG2-CD 4.29Å; V201-K233 HydrophobicContact CG2-CG 4.02Å
202	I	86.4	Confident	82.3	Confident	2 Å²	2	35.7 Å²	35.7	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.8	177.6	-54.7	-177.3	0	0	0	106.9	P106 V107 I108 V109 V146 F171 A174 Q176	P106-I202 HydrophobicContact CB-CD1 3.92Å; P106-I202 HydrophobicContact CB-CG1 4.42Å; V107-I202 PolarHBondContact O-N 3.12Å; I108-I202 WeakPolarHBondContact CA-O 3.17Å; I108-I202 HydrophobicContact CG1-CB 4.22Å; I108-I202 HydrophobicContact CG1-CD1 4.29Å; I108-I202 HydrophobicContact CG2-CB 4.34Å; I108-I202 HydrophobicContact CG2-CG2 4.49Å; V109-I202 PolarHBondContact N-O 3.32Å; V146-I202 HydrophobicContact CG1-CD1 3.71Å; F171-I202 HydrophobicContact CE2-CG2 4.03Å; F171-I202 HydrophobicContact CZ-CD1 4.3Å; F171-I202 HydrophobicContact CZ-CG2 4.36Å; A174-I202 HydrophobicContact CB-CG2 4.27Å; Q176-I202 HydrophobicContact CG-CG1 4.18Å
203	D	88.1	Confident	81.5	Confident	91 Å²	91	37.1 Å²	37.1	49%	0.487	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	107.5	178.5	-170.7	-4.9	0	0	0	110.7	S205	D203-S205 WeakPolarHBondContact OD1-CB 3.31Å; D203-S205 PolarHBondContact OD1-N 2.81Å; D203-S205 PolarHBondContact OD1-OG 2.73Å
204	D	85.3	Confident	80.5	Confident	1 Å²	1	39 Å²	39	1%	0.005	19%	0.191	C	C	.	.			trans	-91.7	7.4	177.3	-172.2	39.5	0	0	0	112.5	I108 V109 R110 K206 Y207 E208 F209 M210 W221	I108-D204 HydrophobicContact CG2-CB 4.21Å; V109-D204 WeakPolarHBondContact O-CB 3.49Å; V109-D204 PolarHBondContact O-N 3.33Å; R110-D204 HydrophobicContact CB-CB 4.16Å; D204-K206 VanDerWaalsContact C-N 3.27Å; D204-K206 PolarHBondContact O-N 3.43Å; D204-Y207 PolarHBondContact O-N 2.9Å; D204-E208 WeakPolarHBondContact O-CA 3.23Å; D204-E208 PolarHBondContact O-N 2.79Å; D204-E208 PolarHBondContact OD1-N 3.35Å; D204-F209 VanDerWaalsContact CG-N 3.32Å; D204-F209 VanDerWaalsContact OD1-CB 3.3Å; D204-F209 WeakPolarHBondContact OD1-CB 3.45Å; D204-F209 WeakPolarHBondContact OD1-CD2 3.35Å; D204-F209 WeakPolarHBondContact OD1-CG 3.24Å; D204-F209 PolarHBondContact OD1-N 2.87Å; D204-F209 PolarHBondContact OD2-N 3.18Å; D204-F209 VanDerWaalsContact OD2-N 3.13Å; D204-M210 PolarHBondContact OD2-N 3.01Å; D204-W221 HydrophobicContact CB-CH2 4.34Å
205	S	85.4	Confident	79.8	Confident	32 Å²	32	44.2 Å²	44.2	22%	0.224	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-34	-178.1	-52.9	0	0	0	0	113.4	R110 R111 D203 Y207	R110-S205 WeakPolarHBondContact CA-OG 3.37Å; R111-S205 WeakPolarHBondContact CB-OG 3.34Å; R111-S205 PolarHBondContact N-OG 2.83Å; D203-S205 WeakPolarHBondContact OD1-CB 3.31Å; D203-S205 PolarHBondContact OD1-N 2.81Å; D203-S205 PolarHBondContact OD1-OG 2.73Å; S205-Y207 VanDerWaalsContact C-N 3.34Å
206	K	77.8	Confident	79.3	Confident	160 Å²	160	48.9 Å²	48.9	70%	0.696	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-28.6	-175.3	179	172.1	169.4	-161.1	0	112.5	D204	D204-K206 VanDerWaalsContact C-N 3.27Å; D204-K206 PolarHBondContact O-N 3.43Å
207	Y	70.7	Confident	78.8	Confident	79 Å²	79	49.6 Å²	49.6	31%	0.31	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-22.1	-166.8	-54.2	-73.4	0	0	0	113.3	Y170 D204 S205 F209	Y170-Y207 HydrophobicContact CE1-CD1 4.12Å; Y170-Y207 HydrophobicContact CE1-CD2 4.01Å; Y170-Y207 AromaticContact CE1-CE1 3.66Å; Y170-Y207 HydrophobicContact CE1-CE1 3.66Å; Y170-Y207 AromaticContact CE1-CE2 3.52Å; Y170-Y207 HydrophobicContact CE1-CE2 3.52Å; Y170-Y207 HydrophobicContact CE1-CG 4.3Å; Y170-Y207 AromaticContact CE1-CZ 3.36Å; Y170-Y207 AromaticContact CZ-CE1 3.73Å; Y170-Y207 AromaticContact CZ-CZ 3.51Å; Y170-Y207 PolarHBondContact OH-OH 2.71Å; D204-Y207 PolarHBondContact O-N 2.9Å; S205-Y207 VanDerWaalsContact C-N 3.34Å; Y207-F209 VanDerWaalsContact CB-CE1 3.47Å; Y207-F209 HydrophobicContact CD1-CE1 4.3Å; Y207-F209 HydrophobicContact CD1-CE2 4.23Å; Y207-F209 AromaticContact CD1-CZ 3.61Å; Y207-F209 HydrophobicContact CD1-CZ 3.61Å; Y207-F209 HydrophobicContact CD2-CD2 4.17Å; Y207-F209 AromaticContact CD2-CE2 3.21Å; Y207-F209 HydrophobicContact CD2-CE2 3.21Å; Y207-F209 AromaticContact CD2-CZ 3.47Å; Y207-F209 HydrophobicContact CD2-CZ 3.47Å; Y207-F209 VanDerWaalsContact CD2-CZ 3.47Å; Y207-F209 HydrophobicContact CE1-CZ 4.42Å; Y207-F209 HydrophobicContact CE2-CE2 4.15Å; Y207-F209 HydrophobicContact CE2-CZ 4.29Å; Y207-F209 HydrophobicContact CG-CD2 4.15Å; Y207-F209 AromaticContact CG-CE1 3.92Å; Y207-F209 HydrophobicContact CG-CE1 3.92Å; Y207-F209 AromaticContact CG-CE2 3.27Å; Y207-F209 HydrophobicContact CG-CE2 3.27Å; Y207-F209 AromaticContact CG-CZ 3.07Å; Y207-F209 HydrophobicContact CG-CZ 3.07Å; Y207-F209 PolarHBondContact O-N 3.31Å; Y207-F209 VanDerWaalsContact O-N 3.16Å
208	E	75.4	Confident	78.5	Confident	91 Å²	91	54.5 Å²	54.5	43%	0.425	28%	0.279	S	S	.	.			trans	49.1	41.2	-179.3	-56.6	-178.7	-160.1	0	0	111.5	D204 M210 S211	D204-E208 WeakPolarHBondContact O-CA 3.23Å; D204-E208 PolarHBondContact O-N 2.79Å; D204-E208 PolarHBondContact OD1-N 3.35Å; E208-M210 PolarHBondContact O-N 3.07Å; E208-S211 PolarHBondContact O-N 3.47Å
209	F	66.3	Low	78.3	Confident	12 Å²	12	54.4 Å²	54.4	5%	0.053	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-27.2	-174.6	-68.4	-59.2	0	0	0	112.6	W158 H167 Y170 F171 D204 Y207	W158-F209 HydrophobicContact CZ2-CB 4.03Å; W158-F209 PolarHBondContact NE1-O 3.35Å; H167-F209 HydrophobicContact CB-CD1 4.47Å; Y170-F209 AromaticContact CD1-CE1 3.91Å; Y170-F209 HydrophobicContact CD1-CE1 3.91Å; Y170-F209 AromaticContact CD1-CE2 3.69Å; Y170-F209 HydrophobicContact CD1-CE2 3.69Å; Y170-F209 AromaticContact CD1-CZ 3.04Å; Y170-F209 HydrophobicContact CD1-CZ 3.04Å; Y170-F209 HydrophobicContact CE1-CE2 4.09Å; Y170-F209 AromaticContact CE1-CZ 3.6Å; Y170-F209 HydrophobicContact CE1-CZ 3.6Å; Y170-F209 HydrophobicContact CG-CE1 4.35Å; Y170-F209 AromaticContact CG-CZ 3.88Å; Y170-F209 HydrophobicContact CG-CZ 3.88Å; F171-F209 HydrophobicContact CB-CD2 4.1Å; F171-F209 HydrophobicContact CB-CE2 4.41Å; F171-F209 HydrophobicContact CB-CG 4.33Å; F171-F209 HydrophobicContact CD2-CB 4.29Å; F171-F209 AromaticContact CD2-CD2 3.71Å; F171-F209 HydrophobicContact CD2-CD2 3.71Å; F171-F209 HydrophobicContact CD2-CE2 4.46Å; F171-F209 HydrophobicContact CD2-CG 4.28Å; F171-F209 HydrophobicContact CG-CD2 4.41Å; D204-F209 VanDerWaalsContact CG-N 3.32Å; D204-F209 VanDerWaalsContact OD1-CB 3.3Å; D204-F209 WeakPolarHBondContact OD1-CB 3.45Å; D204-F209 WeakPolarHBondContact OD1-CD2 3.35Å; D204-F209 WeakPolarHBondContact OD1-CG 3.24Å; D204-F209 PolarHBondContact OD1-N 2.87Å; D204-F209 PolarHBondContact OD2-N 3.18Å; D204-F209 VanDerWaalsContact OD2-N 3.13Å; Y207-F209 VanDerWaalsContact CB-CE1 3.47Å; Y207-F209 HydrophobicContact CD1-CE1 4.3Å; Y207-F209 HydrophobicContact CD1-CE2 4.23Å; Y207-F209 AromaticContact CD1-CZ 3.61Å; Y207-F209 HydrophobicContact CD1-CZ 3.61Å; Y207-F209 HydrophobicContact CD2-CD2 4.17Å; Y207-F209 AromaticContact CD2-CE2 3.21Å; Y207-F209 HydrophobicContact CD2-CE2 3.21Å; Y207-F209 AromaticContact CD2-CZ 3.47Å; Y207-F209 HydrophobicContact CD2-CZ 3.47Å; Y207-F209 VanDerWaalsContact CD2-CZ 3.47Å; Y207-F209 HydrophobicContact CE1-CZ 4.42Å; Y207-F209 HydrophobicContact CE2-CE2 4.15Å; Y207-F209 HydrophobicContact CE2-CZ 4.29Å; Y207-F209 HydrophobicContact CG-CD2 4.15Å; Y207-F209 AromaticContact CG-CE1 3.92Å; Y207-F209 HydrophobicContact CG-CE1 3.92Å; Y207-F209 AromaticContact CG-CE2 3.27Å; Y207-F209 HydrophobicContact CG-CE2 3.27Å; Y207-F209 AromaticContact CG-CZ 3.07Å; Y207-F209 HydrophobicContact CG-CZ 3.07Å; Y207-F209 PolarHBondContact O-N 3.31Å; Y207-F209 VanDerWaalsContact O-N 3.16Å
210	M	67.6	Low	78.2	Confident	3 Å²	3	59.6 Å²	59.6	2%	0.015	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	50.7	176	-55.7	176.8	-65.9	0	0	110.6	I108 R110 V119 L154 W158 F171 D204 E208 E212 F213 W221	I108-M210 HydrophobicContact CB-CE 4.18Å; I108-M210 HydrophobicContact CD1-CE 4.07Å; I108-M210 HydrophobicContact CG2-CE 3.42Å; I108-M210 VanDerWaalsContact CG2-CE 3.42Å; R110-M210 PolarHBondContact NH1-O 2.82Å; V119-M210 HydrophobicContact CG2-CE 3.53Å; V119-M210 HydrophobicContact CG2-SD 4.43Å; L154-M210 HydrophobicContact CD1-SD 4.39Å; L154-M210 HydrophobicContact CD2-CG 4.25Å; L154-M210 HydrophobicContact CD2-SD 3.44Å; L154-M210 WeakPolarHBondContact CD2-SD 3.42Å; W158-M210 HydrophobicContact CZ2-CG 4.45Å; F171-M210 HydrophobicContact CE2-CE 4.44Å; D204-M210 PolarHBondContact OD2-N 3.01Å; E208-M210 PolarHBondContact O-N 3.07Å; M210-E212 VanDerWaalsContact C-N 3.29Å; M210-E212 PolarHBondContact O-N 3.35Å; M210-F213 HydrophobicContact CB-CE2 4.48Å; M210-F213 HydrophobicContact CB-CZ 4.27Å; M210-F213 HydrophobicContact CE-CZ 4.39Å; M210-F213 HydrophobicContact SD-CE1 4.08Å; M210-F213 HydrophobicContact SD-CZ 3.74Å; M210-W221 HydrophobicContact CB-CZ2 3.93Å; M210-W221 HydrophobicContact CE-CH2 3.84Å; M210-W221 HydrophobicContact CE-CZ2 3.56Å; M210-W221 PolarHBondContact O-NE1 2.96Å
211	S	69.4	Low	78.2	Confident	52 Å²	52	61.1 Å²	61.1	36%	0.364	31%	0.306	S	S	.	.	S	Bend	trans	-42.1	-53.7	-178.2	58.5	0	0	0	0	112.7	R110 E208	R110-S211 PolarHBondContact NH1-O 3.29Å; R110-S211 PolarHBondContact NH2-O 3.02Å; E208-S211 PolarHBondContact O-N 3.47Å
212	E	72.4	Confident	78.2	Confident	167 Å²	167	64 Å²	64	78%	0.78	32%	0.316	S	S	*	.	S	Bend	trans	-134.5	139.7	169.5	-67	-175	174.2	0	0	111.7	M210	M210-E212 VanDerWaalsContact C-N 3.29Å; M210-E212 PolarHBondContact O-N 3.35Å
213	F	76.7	Confident	78.4	Confident	31 Å²	31	67.9 Å²	67.9	14%	0.136	34%	0.336	C	S	.	.			trans	-79.1	138.2	169.7	-74.7	-86.2	0	0	0	109.5	V119 L154 M157 M210 S217 F219 W221	V119-F213 HydrophobicContact CB-CZ 4.41Å; V119-F213 HydrophobicContact CG1-CE2 4.27Å; V119-F213 HydrophobicContact CG1-CZ 3.7Å; V119-F213 HydrophobicContact CG2-CE2 4.09Å; V119-F213 HydrophobicContact CG2-CZ 3.82Å; L154-F213 HydrophobicContact CD2-CE1 4.47Å; M157-F213 HydrophobicContact CE-CD1 3.44Å; M157-F213 VanDerWaalsContact CE-CD1 3.44Å; M157-F213 HydrophobicContact CE-CE1 3.89Å; M157-F213 HydrophobicContact CE-CG 4.2Å; M157-F213 HydrophobicContact SD-CD1 3.57Å; M157-F213 VanDerWaalsContact SD-CD1 3.57Å; M157-F213 HydrophobicContact SD-CE1 3.97Å; M210-F213 HydrophobicContact CB-CE2 4.48Å; M210-F213 HydrophobicContact CB-CZ 4.27Å; M210-F213 HydrophobicContact CE-CZ 4.39Å; M210-F213 HydrophobicContact SD-CE1 4.08Å; M210-F213 HydrophobicContact SD-CZ 3.74Å; F213-S217 VanDerWaalsContact CD1-OG 3.29Å; F213-S217 WeakPolarHBondContact CD1-OG 3.48Å; F213-F219 WeakPolarHBondContact CB-O 3.33Å; F213-F219 HydrophobicContact CD1-CB 3.82Å; F213-F219 WeakPolarHBondContact CD1-O 3.05Å; F213-F219 HydrophobicContact CE1-CB 3.53Å; F213-F219 HydrophobicContact CG-CB 4.48Å; F213-F219 WeakPolarHBondContact CG-O 3.46Å; F213-F219 HydrophobicContact CZ-CB 3.92Å; F213-W221 AromaticContact CD2-CD1 3.66Å; F213-W221 HydrophobicContact CD2-CG 4.41Å; F213-W221 AromaticContact CD2-NE1 3.83Å; F213-W221 AromaticContact CE2-CD1 3.54Å; F213-W221 HydrophobicContact CE2-CD2 4.23Å; F213-W221 AromaticContact CE2-CE2 3.92Å; F213-W221 HydrophobicContact CE2-CG 4.05Å; F213-W221 AromaticContact CE2-NE1 3.39Å
214	P	73.3	Confident	78.6	Confident	41 Å²	41	64.1 Å²	64.1	27%	0.266	32%	0.316	S	S	.	.			trans	-65.5	157.8	176.7	28.1	-34.7	0	0	0	110.7	M157 F216 S217	M157-P214 HydrophobicContact CB-CG 4.46Å; M157-P214 VanDerWaalsContact CE-CD 3.44Å; M157-P214 HydrophobicContact CE-CG 4.43Å; M157-P214 HydrophobicContact CG-CG 3.72Å; M157-P214 HydrophobicContact SD-CG 4.24Å; P214-F216 HydrophobicContact CB-CD1 3.81Å; P214-F216 HydrophobicContact CB-CE1 3.46Å; P214-F216 VanDerWaalsContact CB-CE1 3.46Å; P214-F216 HydrophobicContact CB-CE2 4.46Å; P214-F216 HydrophobicContact CB-CG 4.47Å; P214-F216 HydrophobicContact CB-CZ 3.82Å; P214-F216 HydrophobicContact CG-CD1 4.15Å; P214-F216 HydrophobicContact CG-CD2 4.28Å; P214-F216 HydrophobicContact CG-CE1 3.64Å; P214-F216 HydrophobicContact CG-CE2 3.76Å; P214-F216 HydrophobicContact CG-CG 4.46Å; P214-F216 HydrophobicContact CG-CZ 3.42Å; P214-F216 VanDerWaalsContact CG-CZ 3.42Å; P214-F216 PolarHBondContact O-N 3.35Å; P214-S217 WeakPolarHBondContact O-CB 3.41Å; P214-S217 PolarHBondContact O-N 3.12Å
215	S	78	Confident	78.9	Confident	134 Å²	134	67.5 Å²	67.5	94%	0.937	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-19	-174.7	57.9	0	0	0	0	115.1	S217	S215-S217 VanDerWaalsContact C-N 3.27Å
216	F	77.2	Confident	79.2	Confident	102 Å²	102	70.5 Å²	70.5	45%	0.447	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	1.9	174	63.3	-100.4	0	0	0	113.3	Y153 P214	Y153-F216 HydrophobicContact CE2-CD2 4.26Å; Y153-F216 HydrophobicContact CE2-CE2 4.1Å; Y153-F216 WeakPolarHBondContact OH-CD2 3.46Å; Y153-F216 WeakPolarHBondContact OH-CE2 3.49Å; P214-F216 HydrophobicContact CB-CD1 3.81Å; P214-F216 HydrophobicContact CB-CE1 3.46Å; P214-F216 VanDerWaalsContact CB-CE1 3.46Å; P214-F216 HydrophobicContact CB-CE2 4.46Å; P214-F216 HydrophobicContact CB-CG 4.47Å; P214-F216 HydrophobicContact CB-CZ 3.82Å; P214-F216 HydrophobicContact CG-CD1 4.15Å; P214-F216 HydrophobicContact CG-CD2 4.28Å; P214-F216 HydrophobicContact CG-CE1 3.64Å; P214-F216 HydrophobicContact CG-CE2 3.76Å; P214-F216 HydrophobicContact CG-CG 4.46Å; P214-F216 HydrophobicContact CG-CZ 3.42Å; P214-F216 VanDerWaalsContact CG-CZ 3.42Å; P214-F216 PolarHBondContact O-N 3.35Å
217	S	77.2	Confident	79.8	Confident	15 Å²	15	70.6 Å²	70.6	11%	0.105	35%	0.351	C	S	.	.			trans	-76.9	130.7	-178.8	-172.7	0	0	0	0	112.8	Y153 F213 P214 S215 F219	Y153-S217 WeakPolarHBondContact CE1-OG 3.1Å; Y153-S217 WeakPolarHBondContact OH-CA 3.16Å; Y153-S217 WeakPolarHBondContact OH-CB 3.49Å; Y153-S217 PolarHBondContact OH-N 3.26Å; Y153-S217 PolarHBondContact OH-OG 3.31Å; F213-S217 VanDerWaalsContact CD1-OG 3.29Å; F213-S217 WeakPolarHBondContact CD1-OG 3.48Å; P214-S217 WeakPolarHBondContact O-CB 3.41Å; P214-S217 PolarHBondContact O-N 3.12Å; S215-S217 VanDerWaalsContact C-N 3.27Å; S217-F219 WeakPolarHBondContact CB-O 3.17Å; S217-F219 PolarHBondContact O-N 2.83Å; S217-F219 WeakPolarHBondContact OG-CA 3.35Å; S217-F219 PolarHBondContact OG-N 3.28Å; S217-F219 PolarHBondContact OG-O 2.94Å
218	E	78.2	Confident	80.6	Confident	105 Å²	105	70.9 Å²	70.9	49%	0.491	35%	0.354	S	S	.	.	S	Bend	trans	-76.1	-7.8	163.4	-59.6	-176.9	172.2	0	0	111.4	Q121 E122	Q121-E218 CarbonylContact C-O 3.53Å; Q121-E218 VanDerWaalsContact CA-O 3.32Å; Q121-E218 WeakPolarHBondContact CA-O 3.19Å; Q121-E218 HydrophobicContact CG-CB 4.19Å; Q121-E218 PolarHBondContact NE2-OE2 2.61Å; E122-E218 WeakPolarHBondContact CB-O 3.31Å; E122-E218 PolarHBondContact N-O 2.87Å
219	F	80.5	Confident	81.2	Confident	18 Å²	18	67.1 Å²	67.1	8%	0.079	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	143.5	178	-59.5	-82.6	0	0	0	111.3	V119 V120 Q121 I130 L150 Y153 F213 S217	V119-F219 HydrophobicContact CG1-CB 4.07Å; V119-F219 HydrophobicContact CG1-CD1 4.06Å; V119-F219 HydrophobicContact CG1-CG 4.41Å; V120-F219 VanDerWaalsContact O-CA 3.27Å; V120-F219 WeakPolarHBondContact O-CA 3.19Å; Q121-F219 HydrophobicContact CB-CD1 3.92Å; Q121-F219 HydrophobicContact CB-CE1 3.7Å; Q121-F219 HydrophobicContact CG-CD1 4.2Å; Q121-F219 HydrophobicContact CG-CE1 3.83Å; Q121-F219 HydrophobicContact CG-CZ 4.2Å; I130-F219 HydrophobicContact CG2-CE1 4.02Å; L150-F219 HydrophobicContact CD1-CD2 4.25Å; L150-F219 HydrophobicContact CD1-CE2 3.93Å; L150-F219 HydrophobicContact CD1-CZ 4.09Å; Y153-F219 AromaticContact CD1-CD2 3.62Å; Y153-F219 HydrophobicContact CD1-CD2 3.62Å; Y153-F219 AromaticContact CD1-CE2 3.89Å; Y153-F219 HydrophobicContact CD1-CE2 3.89Å; Y153-F219 AromaticContact CE1-CD2 3.68Å; Y153-F219 HydrophobicContact CE1-CD2 3.68Å; Y153-F219 HydrophobicContact CE1-CE2 4.33Å; Y153-F219 HydrophobicContact CG-CD2 4.43Å; Y153-F219 HydrophobicContact CG-CE2 4.31Å; F213-F219 WeakPolarHBondContact CB-O 3.33Å; F213-F219 HydrophobicContact CD1-CB 3.82Å; F213-F219 WeakPolarHBondContact CD1-O 3.05Å; F213-F219 HydrophobicContact CE1-CB 3.53Å; F213-F219 HydrophobicContact CG-CB 4.48Å; F213-F219 WeakPolarHBondContact CG-O 3.46Å; F213-F219 HydrophobicContact CZ-CB 3.92Å; S217-F219 WeakPolarHBondContact CB-O 3.17Å; S217-F219 PolarHBondContact O-N 2.83Å; S217-F219 WeakPolarHBondContact OG-CA 3.35Å; S217-F219 PolarHBondContact OG-N 3.28Å; S217-F219 PolarHBondContact OG-O 2.94Å
220	Y	81.9	Confident	82.3	Confident	108 Å²	108	69.6 Å²	69.6	42%	0.424	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	163.5	174.5	66.3	-82.6	0	0	0	111.2	V120 R222	V120-Y220 HydrophobicContact CG2-CD1 3.96Å; V120-Y220 HydrophobicContact CG2-CD2 3.88Å; V120-Y220 HydrophobicContact CG2-CE1 3.57Å; V120-Y220 HydrophobicContact CG2-CE2 3.48Å; V120-Y220 VanDerWaalsContact CG2-CE2 3.48Å; V120-Y220 HydrophobicContact CG2-CG 4.1Å; V120-Y220 WeakPolarHBondContact CG2-O 3.12Å; V120-Y220 PolarHBondContact N-O 3.42Å; V120-Y220 PolarHBondContact O-N 2.77Å; Y220-R222 HydrophobicContact CE2-CB 4.1Å; Y220-R222 HydrophobicContact CE2-CG 4.49Å
221	W	87.2	Confident	83.1	Confident	33 Å²	33	74 Å²	74	13%	0.125	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	129	172.6	-71.1	105.8	0	0	0	111.1	I108 R110 Q117 V118 V119 D204 M210 F213	I108-W221 HydrophobicContact CG2-CH2 4.1Å; R110-W221 HydrophobicContact CB-CH2 3.91Å; R110-W221 HydrophobicContact CB-CZ2 4.49Å; R110-W221 HydrophobicContact CB-CZ3 4.23Å; R110-W221 VanDerWaalsContact CD-CZ2 3.47Å; R110-W221 HydrophobicContact CG-CD2 4.35Å; R110-W221 HydrophobicContact CG-CE3 4.03Å; R110-W221 HydrophobicContact CG-CH2 3.59Å; R110-W221 HydrophobicContact CG-CZ2 3.95Å; R110-W221 HydrophobicContact CG-CZ3 3.66Å; R110-W221 VanDerWaalsContact CZ-CD1 3.41Å; R110-W221 VanDerWaalsContact CZ-CE2 3.41Å; R110-W221 VanDerWaalsContact NH1-NE1 3.18Å; Q117-W221 HydrophobicContact CB-CB 4.35Å; Q117-W221 HydrophobicContact CB-CD2 4.32Å; Q117-W221 HydrophobicContact CB-CE3 3.67Å; Q117-W221 HydrophobicContact CB-CZ3 4.3Å; V118-W221 VanDerWaalsContact C-CE3 3.42Å; V119-W221 HydrophobicContact CG2-CD2 4.07Å; V119-W221 HydrophobicContact CG2-CE3 3.78Å; V119-W221 HydrophobicContact CG2-CH2 3.59Å; V119-W221 HydrophobicContact CG2-CZ2 3.86Å; V119-W221 HydrophobicContact CG2-CZ3 3.52Å; D204-W221 HydrophobicContact CB-CH2 4.34Å; M210-W221 HydrophobicContact CB-CZ2 3.93Å; M210-W221 HydrophobicContact CE-CH2 3.84Å; M210-W221 HydrophobicContact CE-CZ2 3.56Å; M210-W221 PolarHBondContact O-NE1 2.96Å; F213-W221 AromaticContact CD2-CD1 3.66Å; F213-W221 HydrophobicContact CD2-CG 4.41Å; F213-W221 AromaticContact CD2-NE1 3.83Å; F213-W221 AromaticContact CE2-CD1 3.54Å; F213-W221 HydrophobicContact CE2-CD2 4.23Å; F213-W221 AromaticContact CE2-CE2 3.92Å; F213-W221 HydrophobicContact CE2-CG 4.05Å; F213-W221 AromaticContact CE2-NE1 3.39Å
222	R	87.5	Confident	83.7	Confident	67 Å²	67	72 Å²	72	25%	0.253	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131	173.5	-168.6	-177.2	71.8	168.8	6.1	109.9	Q117 V118 V120 P127 Y220 I224	Q117-R222 CarbonylContact C-O 3.57Å; Q117-R222 VanDerWaalsContact CA-O 3.3Å; Q117-R222 WeakPolarHBondContact CA-O 3.34Å; V118-R222 PolarHBondContact N-O 3.27Å; V118-R222 PolarHBondContact O-N 3.08Å; V120-R222 HydrophobicContact CG1-CB 4.21Å; V120-R222 HydrophobicContact CG2-CB 3.74Å; P127-R222 PolarHBondContact O-NH1 3.22Å; P127-R222 VanDerWaalsContact O-NH1 3.16Å; P127-R222 PolarHBondContact O-NH2 3.48Å; Y220-R222 HydrophobicContact CE2-CB 4.1Å; Y220-R222 HydrophobicContact CE2-CG 4.49Å; R222-I224 PolarHBondContact O-N 3.25Å
223	N	91.3	Very high	84.2	Confident	83 Å²	83	67.1 Å²	67.1	44%	0.444	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	135	172.1	-68.2	-9.9	0	0	0	110	L116 Q117	L116-N223 WeakPolarHBondContact O-CA 3.5Å; Q117-N223 VanDerWaalsContact CG-OD1 3.24Å; Q117-N223 WeakPolarHBondContact CG-OD1 3.31Å; Q117-N223 PolarHBondContact NE2-OD1 3.45Å
224	I	90.4	Very high	84.5	Confident	13 Å²	13	71.7 Å²	71.7	7%	0.067	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	166.5	174.1	58.6	160.3	0	0	0	110	L116 V118 R222 E228 L229	L116-I224 HydrophobicContact CD2-CD1 3.93Å; L116-I224 HydrophobicContact CD2-CG1 3.9Å; L116-I224 HydrophobicContact CG-CD1 4.17Å; L116-I224 HydrophobicContact CG-CG1 3.84Å; L116-I224 PolarHBondContact O-N 2.91Å; L116-I224 VanDerWaalsContact O-O 3.1Å; V118-I224 HydrophobicContact CB-CD1 3.78Å; V118-I224 HydrophobicContact CB-CG1 4.2Å; V118-I224 HydrophobicContact CB-CG2 4.49Å; V118-I224 HydrophobicContact CG1-CB 4.46Å; V118-I224 HydrophobicContact CG1-CD1 3.95Å; V118-I224 HydrophobicContact CG1-CG1 4.12Å; V118-I224 HydrophobicContact CG1-CG2 3.53Å; R222-I224 PolarHBondContact O-N 3.25Å; I224-E228 WeakPolarHBondContact CA-OE2 3.39Å; I224-E228 HydrophobicContact CB-CB 4.29Å; I224-L229 HydrophobicContact CD1-CB 4.03Å
225	T	92.1	Very high	84.5	Confident	71 Å²	71	73.7 Å²	73.7	44%	0.436	36%	0.363	S	S	.	.			trans	-96.6	160.5	173.6	62.8	0	0	0	0	111.3	Q227 E228 L229	T225-Q227 PolarHBondContact O-N 3.18Å; T225-E228 WeakPolarHBondContact CB-OE2 3.1Å; T225-E228 PolarHBondContact N-OE2 3.27Å; T225-E228 PolarHBondContact O-N 3.14Å; T225-E228 VanDerWaalsContact O-N 3.13Å; T225-E228 VanDerWaalsContact OG1-CG 3.3Å; T225-E228 WeakPolarHBondContact OG1-CG 3.45Å; T225-E228 PolarHBondContact OG1-N 3Å; T225-E228 VanDerWaalsContact OG1-N 3.15Å; T225-E228 PolarHBondContact OG1-OE2 3.22Å; T225-L229 PolarHBondContact O-N 2.96Å
226	E	92	Very high	84.2	Confident	95 Å²	95	68.6 Å²	68.6	44%	0.444	32%	0.323	S	S	.	.	H	α-helix	trans	-59.4	-31.6	171.8	-66.9	-66.3	170.7	0	0	112.2	R111 L229 T230	R111-E226 IonicContact CZ-OE1 3.9Å; R111-E226 IonicContact NH2-OE1 2.76Å; R111-E226 PolarHBondContact NH2-OE1 2.76Å; E226-L229 PolarHBondContact O-N 3.04Å; E226-T230 WeakPolarHBondContact O-CB 3.48Å; E226-T230 PolarHBondContact O-N 3Å; E226-T230 PolarHBondContact O-OG1 3.16Å
227	Q	90	Very high	83.7	Confident	163 Å²	163	63.8 Å²	63.8	76%	0.762	30%	0.302	S	S	*	.	H	α-helix	trans	-67	-41.6	175.9	-68.8	-178.8	-2.2	0	0	111.3	T225 T230 H231	T225-Q227 PolarHBondContact O-N 3.18Å; Q227-T230 PolarHBondContact O-N 2.77Å; Q227-H231 WeakPolarHBondContact O-CB 3.47Å; Q227-H231 PolarHBondContact O-N 2.73Å
228	E	87.9	Confident	83.5	Confident	84 Å²	84	64.6 Å²	64.6	39%	0.393	31%	0.305	S	S	.	.	H	α-helix	trans	-65.8	-42.5	174.8	-73.5	166.4	121.9	0	0	111.6	I224 T225 T230 H231 I232	I224-E228 WeakPolarHBondContact CA-OE2 3.39Å; I224-E228 HydrophobicContact CB-CB 4.29Å; T225-E228 WeakPolarHBondContact CB-OE2 3.1Å; T225-E228 PolarHBondContact N-OE2 3.27Å; T225-E228 PolarHBondContact O-N 3.14Å; T225-E228 VanDerWaalsContact O-N 3.13Å; T225-E228 VanDerWaalsContact OG1-CG 3.3Å; T225-E228 WeakPolarHBondContact OG1-CG 3.45Å; T225-E228 PolarHBondContact OG1-N 3Å; T225-E228 VanDerWaalsContact OG1-N 3.15Å; T225-E228 PolarHBondContact OG1-OE2 3.22Å; E228-T230 PolarHBondContact O-N 2.98Å; E228-H231 WeakPolarHBondContact O-CB 3.13Å; E228-H231 PolarHBondContact O-N 3.43Å; E228-I232 VanDerWaalsContact O-CG1 3.28Å; E228-I232 WeakPolarHBondContact O-CG1 3.38Å; E228-I232 PolarHBondContact O-N 3.29Å
229	L	88.5	Confident	83	Confident	13 Å²	13	63.2 Å²	63.2	7%	0.068	30%	0.304	C	S	.	.	H	α-helix	trans	-62.3	-43.6	175.1	-179.2	57.4	0	0	0	111.7	V107 V109 L116 I224 T225 E226 H231 I232 K233	V107-L229 HydrophobicContact CG1-CD1 4.22Å; V109-L229 HydrophobicContact CG1-CD1 3.9Å; V109-L229 HydrophobicContact CG1-CD2 4.36Å; L116-L229 HydrophobicContact CD2-CB 4.06Å; L116-L229 HydrophobicContact CD2-CD2 3.97Å; I224-L229 HydrophobicContact CD1-CB 4.03Å; T225-L229 PolarHBondContact O-N 2.96Å; E226-L229 PolarHBondContact O-N 3.04Å; L229-H231 VanDerWaalsContact C-N 3.31Å; L229-H231 PolarHBondContact O-N 3.43Å; L229-I232 WeakPolarHBondContact O-CB 3.47Å; L229-I232 PolarHBondContact O-N 3.26Å; L229-K233 HydrophobicContact CD1-CG 4.48Å; L229-K233 WeakPolarHBondContact O-CG 3.17Å; L229-K233 PolarHBondContact O-N 3.33Å
230	T	89	Confident	82.4	Confident	64 Å²	64	72 Å²	72	39%	0.393	34%	0.342	S	S	.	.	H	α-helix	trans	-60.9	-43.2	175.4	-59.4	0	0	0	0	110.9	E226 Q227 E228 I232 K233 Q234	E226-T230 WeakPolarHBondContact O-CB 3.48Å; E226-T230 PolarHBondContact O-N 3Å; E226-T230 PolarHBondContact O-OG1 3.16Å; Q227-T230 PolarHBondContact O-N 2.77Å; E228-T230 PolarHBondContact O-N 2.98Å; T230-I232 VanDerWaalsContact C-N 3.35Å; T230-I232 PolarHBondContact O-N 3.43Å; T230-K233 PolarHBondContact O-N 3.07Å; T230-Q234 HydrophobicContact CG2-CG 4.47Å; T230-Q234 WeakPolarHBondContact O-CB 3.42Å; T230-Q234 WeakPolarHBondContact O-CG 3.15Å; T230-Q234 PolarHBondContact O-N 3.2Å
231	H	84.8	Confident	82	Confident	96 Å²	96	72.9 Å²	72.9	44%	0.444	35%	0.348	S	S	.	.	H	α-helix	trans	-60.1	-45.4	176.2	-177.3	78.4	0	0	0	111.3	Q227 E228 L229 Q234 H235	Q227-H231 WeakPolarHBondContact O-CB 3.47Å; Q227-H231 PolarHBondContact O-N 2.73Å; E228-H231 WeakPolarHBondContact O-CB 3.13Å; E228-H231 PolarHBondContact O-N 3.43Å; L229-H231 VanDerWaalsContact C-N 3.31Å; L229-H231 PolarHBondContact O-N 3.43Å; H231-Q234 PolarHBondContact O-N 3.48Å; H231-H235 AromaticContact CE1-CG 3.61Å; H231-H235 AromaticContact CE1-ND1 3.63Å; H231-H235 AromaticContact CG-ND1 3.88Å; H231-H235 AromaticContact ND1-CE1 3.71Å; H231-H235 AromaticContact ND1-CG 3.74Å; H231-H235 AromaticContact ND1-ND1 3.25Å; H231-H235 PolarHBondContact ND1-ND1 3.2Å; H231-H235 WeakPolarHBondContact O-CB 3.42Å; H231-H235 PolarHBondContact O-N 3.42Å; H231-H235 PolarHBondContact O-ND1 3.05Å; H231-H235 VanDerWaalsContact O-ND1 3.11Å
232	I	80.9	Confident	81.4	Confident	8 Å²	8	74.2 Å²	74.2	4%	0.041	36%	0.356	C	S	.	.	H	α-helix	trans	-56.8	-53.6	175	-70.8	162.6	0	0	0	110.4	V107 F128 F199 E228 L229 T230 Q234 H235 Y236	V107-I232 HydrophobicContact CG1-CG2 4.31Å; V107-I232 HydrophobicContact CG2-CG2 3.88Å; F128-I232 HydrophobicContact CD1-CG1 4.14Å; F199-I232 HydrophobicContact CZ-CG2 4.04Å; E228-I232 VanDerWaalsContact O-CG1 3.28Å; E228-I232 WeakPolarHBondContact O-CG1 3.38Å; E228-I232 PolarHBondContact O-N 3.29Å; L229-I232 WeakPolarHBondContact O-CB 3.47Å; L229-I232 PolarHBondContact O-N 3.26Å; T230-I232 VanDerWaalsContact C-N 3.35Å; T230-I232 PolarHBondContact O-N 3.43Å; I232-Q234 PolarHBondContact O-N 3.41Å; I232-H235 PolarHBondContact O-N 3.2Å; I232-Y236 HydrophobicContact CG2-CD2 4.2Å; I232-Y236 VanDerWaalsContact O-CB 3.28Å; I232-Y236 WeakPolarHBondContact O-CB 3.39Å; I232-Y236 PolarHBondContact O-N 3.05Å; I232-Y236 VanDerWaalsContact O-N 3.1Å
233	K	84.3	Confident	80.5	Confident	65 Å²	65	72.7 Å²	72.7	28%	0.283	35%	0.354	S	S	.	.	H	α-helix	trans	-57.9	-34.8	-179.3	-68.7	-173.9	-179.2	-157.2	0	112.8	D177 I179 V201 L229 T230	D177-K233 IonicContact OD2-NZ 2.76Å; D177-K233 PolarHBondContact OD2-NZ 3.27Å; I179-K233 HydrophobicContact CD1-CB 4.31Å; I179-K233 HydrophobicContact CD1-CD 3.84Å; I179-K233 HydrophobicContact CD1-CG 3.95Å; I179-K233 HydrophobicContact CG1-CG 4.31Å; I179-K233 VanDerWaalsContact CG2-O 3.3Å; I179-K233 WeakPolarHBondContact CG2-O 3.37Å; V201-K233 HydrophobicContact CG2-CD 4.29Å; V201-K233 HydrophobicContact CG2-CG 4.02Å; L229-K233 HydrophobicContact CD1-CG 4.48Å; L229-K233 WeakPolarHBondContact O-CG 3.17Å; L229-K233 PolarHBondContact O-N 3.33Å; T230-K233 PolarHBondContact O-N 3.07Å
234	Q	81.4	Confident	79	Confident	128 Å²	128	71.9 Å²	71.9	60%	0.598	35%	0.349	S	S	*	.	H	α-helix	trans	-90.1	-32.9	-174.1	-71	176.9	-8.1	0	0	114.5	T230 H231 I232	T230-Q234 HydrophobicContact CG2-CG 4.47Å; T230-Q234 WeakPolarHBondContact O-CB 3.42Å; T230-Q234 WeakPolarHBondContact O-CG 3.15Å; T230-Q234 PolarHBondContact O-N 3.2Å; H231-Q234 PolarHBondContact O-N 3.48Å; I232-Q234 PolarHBondContact O-N 3.41Å
235	H	74.7	Confident	77.6	Confident	83 Å²	83	78.1 Å²	78.1	38%	0.384	38%	0.382	S	S	.	.	H	α-helix	trans	-114.8	-5.9	-167.3	-59.4	82.3	0	0	0	113.2	H231 I232 L245	H231-H235 AromaticContact CE1-CG 3.61Å; H231-H235 AromaticContact CE1-ND1 3.63Å; H231-H235 AromaticContact CG-ND1 3.88Å; H231-H235 AromaticContact ND1-CE1 3.71Å; H231-H235 AromaticContact ND1-CG 3.74Å; H231-H235 AromaticContact ND1-ND1 3.25Å; H231-H235 PolarHBondContact ND1-ND1 3.2Å; H231-H235 WeakPolarHBondContact O-CB 3.42Å; H231-H235 PolarHBondContact O-N 3.42Å; H231-H235 PolarHBondContact O-ND1 3.05Å; H231-H235 VanDerWaalsContact O-ND1 3.11Å; I232-H235 PolarHBondContact O-N 3.2Å; H235-L245 HydrophobicContact CB-CD1 4.32Å; H235-L245 WeakPolarHBondContact O-CB 3.24Å; H235-L245 WeakPolarHBondContact O-CD1 3.39Å; H235-L245 WeakPolarHBondContact O-CG 3.47Å
236	Y	71.5	Confident	76.9	Confident	26 Å²	26	78.5 Å²	78.5	10%	0.102	38%	0.379	C	S	.	.	S	Bend	trans	-71.9	-36.3	177.6	-141.9	-77.1	0	0	0	112.6	L105 F128 I232 L244 L245	L105-Y236 HydrophobicContact CD1-CE1 3.81Å; L105-Y236 HydrophobicContact CD2-CD1 3.2Å; L105-Y236 HydrophobicContact CD2-CE1 3.35Å; L105-Y236 HydrophobicContact CD2-CG 3.94Å; L105-Y236 HydrophobicContact CG-CD1 4.42Å; L105-Y236 HydrophobicContact CG-CE1 4.2Å; F128-Y236 HydrophobicContact CB-CE2 3.87Å; F128-Y236 HydrophobicContact CD1-CE2 4.21Å; F128-Y236 AromaticContact CD2-CD2 3.96Å; F128-Y236 HydrophobicContact CD2-CD2 3.96Å; F128-Y236 AromaticContact CD2-CE2 2.98Å; F128-Y236 HydrophobicContact CD2-CE2 2.98Å; F128-Y236 AromaticContact CD2-CZ 3.48Å; F128-Y236 VanDerWaalsContact CD2-CZ 3.48Å; F128-Y236 VanDerWaalsContact CD2-OH 3.3Å; F128-Y236 WeakPolarHBondContact CD2-OH 3.4Å; F128-Y236 HydrophobicContact CE2-CD2 4.02Å; F128-Y236 AromaticContact CE2-CE2 3.33Å; F128-Y236 HydrophobicContact CE2-CE2 3.33Å; F128-Y236 AromaticContact CE2-CZ 3.75Å; F128-Y236 HydrophobicContact CG-CD2 4.19Å; F128-Y236 AromaticContact CG-CE2 3.43Å; F128-Y236 HydrophobicContact CG-CE2 3.43Å; F128-Y236 VanDerWaalsContact CG-CE2 3.43Å; F128-Y236 HydrophobicContact CZ-CD2 4.42Å; F128-Y236 HydrophobicContact CZ-CE2 4.12Å; F128-Y236 PolarHBondContact O-OH 3.26Å; I232-Y236 HydrophobicContact CG2-CD2 4.2Å; I232-Y236 VanDerWaalsContact O-CB 3.28Å; I232-Y236 WeakPolarHBondContact O-CB 3.39Å; I232-Y236 PolarHBondContact O-N 3.05Å; I232-Y236 VanDerWaalsContact O-N 3.1Å; Y236-L244 HydrophobicContact CD1-CD2 3.9Å; Y236-L244 HydrophobicContact CE1-CD2 4.19Å; Y236-L244 WeakPolarHBondContact O-CA 3.48Å; Y236-L245 PolarHBondContact O-N 3.42Å; Y236-L245 VanDerWaalsContact O-N 3.13Å
237	V	66.9	Low	76.1	Confident	2 Å²	2	77.6 Å²	77.6	1%	0.012	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	112.5	176.9	-177.1	0	0	0	0	107	Y180 I197 F199 V239 T243 L244	Y180-V237 HydrophobicContact CD1-CG1 3.82Å; Y180-V237 HydrophobicContact CD2-CG1 4.47Å; Y180-V237 HydrophobicContact CE1-CG1 4.26Å; Y180-V237 HydrophobicContact CG-CG1 3.93Å; I197-V237 HydrophobicContact CD1-CB 4.36Å; I197-V237 HydrophobicContact CD1-CG1 3.99Å; I197-V237 HydrophobicContact CD1-CG2 3.39Å; F199-V237 HydrophobicContact CB-CG2 4.08Å; F199-V237 HydrophobicContact CD1-CB 4.16Å; F199-V237 HydrophobicContact CD1-CG2 3.5Å; F199-V237 VanDerWaalsContact CD1-CG2 3.5Å; F199-V237 HydrophobicContact CE1-CG2 4.26Å; F199-V237 HydrophobicContact CG-CG2 4.08Å; V237-V239 VanDerWaalsContact C-N 3.28Å; V237-V239 HydrophobicContact CG1-CG2 4.46Å; V237-V239 PolarHBondContact O-N 2.89Å; V237-T243 WeakPolarHBondContact CA-O 3.39Å; V237-L244 HydrophobicContact CG2-CD2 3.93Å
238	D	71.9	Confident	75.3	Confident	31 Å²	31	72.8 Å²	72.8	17%	0.166	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	93.2	165.8	-175.2	-27.2	0	0	0	107	K240 K241 Q242 T243 L245	D238-K240 PolarHBondContact O-N 2.89Å; D238-K240 WeakPolarHBondContact OD1-CB 2.97Å; D238-K240 PolarHBondContact OD1-N 2.95Å; D238-K240 VanDerWaalsContact OD1-N 3.09Å; D238-K241 HydrophobicContact CB-CB 4.1Å; D238-K241 CarbonylContact O-C 3.52Å; D238-K241 PolarHBondContact O-N 2.84Å; D238-K241 PolarHBondContact OD1-N 3.49Å; D238-K241 WeakPolarHBondContact OD2-CD 3.26Å; D238-K241 VanDerWaalsContact OD2-CE 3.23Å; D238-K241 WeakPolarHBondContact OD2-CE 3.45Å; D238-K241 WeakPolarHBondContact OD2-CG 3.12Å; D238-K241 IonicContact OD2-NZ 3.76Å; D238-Q242 WeakPolarHBondContact O-CA 3.31Å; D238-Q242 PolarHBondContact O-N 3.36Å; D238-T243 PolarHBondContact N-O 3.01Å; D238-T243 PolarHBondContact O-N 3.32Å; D238-L245 HydrophobicContact CB-CD1 4.29Å; D238-L245 HydrophobicContact CB-CD2 4.43Å; D238-L245 HydrophobicContact CB-CG 4.28Å
239	V	68.9	Low	74.6	Confident	77 Å²	77	72.2 Å²	72.2	47%	0.467	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-31.8	-177.4	176.2	0	0	0	0	111.7	Y180 V237 Q242	Y180-V239 HydrophobicContact CD2-CB 4.28Å; Y180-V239 HydrophobicContact CD2-CG1 3.86Å; Y180-V239 HydrophobicContact CD2-CG2 3.85Å; Y180-V239 HydrophobicContact CE2-CG1 4Å; Y180-V239 HydrophobicContact CG-CG2 4.4Å; V237-V239 VanDerWaalsContact C-N 3.28Å; V237-V239 HydrophobicContact CG1-CG2 4.46Å; V237-V239 PolarHBondContact O-N 2.89Å; V239-Q242 WeakPolarHBondContact O-CG 3.35Å
240	K	67.6	Low	73.7	Confident	201 Å²	201	75.9 Å²	75.9	87%	0.874	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-43.2	-179.5	-69.1	-177.7	178.4	178.1	0	111.5	D238 Q242	D238-K240 PolarHBondContact O-N 2.89Å; D238-K240 WeakPolarHBondContact OD1-CB 2.97Å; D238-K240 PolarHBondContact OD1-N 2.95Å; D238-K240 VanDerWaalsContact OD1-N 3.09Å; K240-Q242 VanDerWaalsContact C-N 3.33Å
241	K	73.5	Confident	72.7	Confident	128 Å²	128	76.7 Å²	76.7	56%	0.557	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-12.5	177.2	-63.1	-175.9	-162.7	161	0	113.3	R185 D238 T243	R185-K241 WeakPolarHBondContact CD-O 3.45Å; R185-K241 PolarHBondContact NE-O 3.17Å; D238-K241 HydrophobicContact CB-CB 4.1Å; D238-K241 CarbonylContact O-C 3.52Å; D238-K241 PolarHBondContact O-N 2.84Å; D238-K241 PolarHBondContact OD1-N 3.49Å; D238-K241 WeakPolarHBondContact OD2-CD 3.26Å; D238-K241 VanDerWaalsContact OD2-CE 3.23Å; D238-K241 WeakPolarHBondContact OD2-CE 3.45Å; D238-K241 WeakPolarHBondContact OD2-CG 3.12Å; D238-K241 IonicContact OD2-NZ 3.76Å; K241-T243 VanDerWaalsContact C-N 3.31Å; K241-T243 HydrophobicContact CB-CG2 4.28Å
242	Q	74.1	Confident	71.8	Confident	60 Å²	60	75.3 Å²	75.3	28%	0.28	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	46.4	-173	-60	165.1	-38.1	0	0	110.9	I184 R185 D238 V239 K240	I184-Q242 CarbonylContact C-O 3.4Å; I184-Q242 WeakPolarHBondContact CA-O 3.36Å; I184-Q242 VanDerWaalsContact CB-O 3.3Å; I184-Q242 WeakPolarHBondContact CB-O 3.1Å; R185-Q242 PolarHBondContact N-O 3.19Å; D238-Q242 WeakPolarHBondContact O-CA 3.31Å; D238-Q242 PolarHBondContact O-N 3.36Å; V239-Q242 WeakPolarHBondContact O-CG 3.35Å; K240-Q242 VanDerWaalsContact C-N 3.33Å
243	T	68.7	Low	71.1	Confident	35 Å²	35	80.5 Å²	80.5	22%	0.215	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.8	-178.2	48.3	0	0	0	0	110.7	R185 V237 D238 K241	R185-T243 HydrophobicContact CB-CG2 3.73Å; R185-T243 HydrophobicContact CG-CG2 4.38Å; V237-T243 WeakPolarHBondContact CA-O 3.39Å; D238-T243 PolarHBondContact N-O 3.01Å; D238-T243 PolarHBondContact O-N 3.32Å; K241-T243 VanDerWaalsContact C-N 3.31Å; K241-T243 HydrophobicContact CB-CG2 4.28Å
244	L	60.9	Low	70	Confident	67 Å²	67	81.8 Å²	81.8	35%	0.351	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	134	161.4	-69.5	167.4	0	0	0	108.6	L105 I184 I197 Y236 V237	L105-L244 HydrophobicContact CD2-CD2 4.35Å; I184-L244 HydrophobicContact CD1-CD1 3.69Å; I184-L244 HydrophobicContact CD1-CG 3.83Å; I197-L244 HydrophobicContact CD1-CD2 3.97Å; Y236-L244 HydrophobicContact CD1-CD2 3.9Å; Y236-L244 HydrophobicContact CE1-CD2 4.19Å; Y236-L244 WeakPolarHBondContact O-CA 3.48Å; V237-L244 HydrophobicContact CG2-CD2 3.93Å
245	L	59.8	Low	69	Low	143 Å²	143	77.5 Å²	77.5	75%	0.749	38%	0.378	S	S	*	.			trans	-91.4	0	174.5	-65	175.8	0	0	0	111.7	H235 Y236 D238	H235-L245 HydrophobicContact CB-CD1 4.32Å; H235-L245 WeakPolarHBondContact O-CB 3.24Å; H235-L245 WeakPolarHBondContact O-CD1 3.39Å; H235-L245 WeakPolarHBondContact O-CG 3.47Å; Y236-L245 PolarHBondContact O-N 3.42Å; Y236-L245 VanDerWaalsContact O-N 3.13Å; D238-L245 HydrophobicContact CB-CD1 4.29Å; D238-L245 HydrophobicContact CB-CD2 4.43Å; D238-L245 HydrophobicContact CB-CG 4.28Å

Retrieved 245 of 245 residues in 235.3 ms (Link to these results)

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