A0A096M0H6_POEFO Loading...

Transmembrane protein 222a

AlphaFold DB , UniProt , Accession A0A096M0H6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 187 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	S	38.2	Very low	41.6	Very low	170 Å²	170	122.7 Å²	122.7	100%	1.189	71%	0.71	S	S	*	*				0	103.9	0	-162.8	0	0	0	0	107
2	Q	30.9	Very low	42.4	Very low	185 Å²	185	120.4 Å²	120.4	86%	0.864	69%	0.694	S	S	*	*			trans	-78.1	120	-179.4	-82.3	174.6	-17.9	0	0	108.4
3	V	34.3	Very low	43.5	Very low	122 Å²	122	114.8 Å²	114.8	74%	0.739	66%	0.659	S	S	*	*			trans	-86.8	108.3	168.7	178.1	0	0	0	0	106.6	M5	V3-M5 PolarHBondContact O-N 3.46Å
4	V	33.5	Very low	43.8	Very low	128 Å²	128	115.5 Å²	115.5	78%	0.776	66%	0.656	S	S	*	*			trans	-74.5	108.2	171.8	178.8	0	0	0	0	107	A6	V4-A6 PolarHBondContact O-N 2.75Å
5	M	37.8	Very low	44.3	Very low	149 Å²	149	114.4 Å²	114.4	73%	0.734	65%	0.652	S	S	*	*			trans	-73.3	113.3	167.5	-66	-72.8	-84.9	0	0	106.9	V3 E7	V3-M5 PolarHBondContact O-N 3.46Å; M5-E7 PolarHBondContact O-N 3.45Å
6	A	40.4	Very low	44.8	Very low	86 Å²	86	114.2 Å²	114.2	71%	0.711	65%	0.648	S	S	*	*			trans	-72.4	108.5	179.2	0	0	0	0	0	109.8	V4 V8	V4-A6 PolarHBondContact O-N 2.75Å; A6-V8 PolarHBondContact O-N 3.2Å; A6-V8 VanDerWaalsContact O-N 3.16Å
7	E	44.5	Very low	45.1	Very low	186 Å²	186	111.3 Å²	111.3	87%	0.869	63%	0.627	S	S	*	*			trans	-60.5	110.5	158.2	-83.9	179.7	129.3	0	0	107.8	M5 D9	M5-E7 PolarHBondContact O-N 3.45Å; E7-D9 PolarHBondContact O-N 3.29Å
8	V	50.9	Low	45	Very low	88 Å²	88	113.4 Å²	113.4	53%	0.533	63%	0.631	S	S	.	*			trans	-75.6	105.1	169.8	-176.6	0	0	0	0	106.6	A6	A6-V8 PolarHBondContact O-N 3.2Å; A6-V8 VanDerWaalsContact O-N 3.16Å
9	D	50.7	Low	44.7	Very low	109 Å²	109	109.7 Å²	109.7	58%	0.583	62%	0.621	S	S	*	*			trans	-64.6	136	-169.2	-128.4	-33.4	0	0	0	112	E7 A11 D12	E7-D9 PolarHBondContact O-N 3.29Å; D9-A11 PolarHBondContact O-N 3.4Å; D9-D12 PolarHBondContact O-N 3.42Å
10	D	51.8	Low	44.8	Very low	80 Å²	80	108 Å²	108	43%	0.428	61%	0.61	S	S	.	*	H	α-helix	trans	-55.8	-24.8	178.1	-91.9	-54.2	0	0	0	111.8	M14 K156	D10-M14 WeakPolarHBondContact O-CG 3.41Å; D10-M14 PolarHBondContact O-N 3.24Å; D10-K156 IonicContact OD1-NZ 3.87Å; D10-K156 PolarHBondContact OD1-NZ 3.06Å; D10-K156 IonicContact OD2-NZ 2.73Å; D10-K156 PolarHBondContact OD2-NZ 3.31Å
11	A	44.2	Very low	44.9	Very low	47 Å²	47	111.8 Å²	111.8	39%	0.388	62%	0.62	S	S	.	*	H	α-helix	trans	-66.7	-38.9	175	0	0	0	0	0	112.8	D9 I13 M14 V15	D9-A11 PolarHBondContact O-N 3.4Å; A11-I13 VanDerWaalsContact C-N 3.29Å; A11-I13 PolarHBondContact O-N 3.49Å; A11-M14 PolarHBondContact O-N 3.49Å; A11-V15 WeakPolarHBondContact O-CB 3.21Å; A11-V15 WeakPolarHBondContact O-CG2 3.43Å; A11-V15 PolarHBondContact O-N 3.24Å
12	D	51.7	Low	45.2	Very low	95 Å²	95	111 Å²	111	51%	0.508	60%	0.602	S	S	.	*	H	α-helix	trans	-68.6	-31.3	179.8	-82.8	-17.9	0	0	0	111.9	D9 N16	D9-D12 PolarHBondContact O-N 3.42Å; D12-N16 WeakPolarHBondContact O-CB 3.28Å; D12-N16 PolarHBondContact O-N 2.97Å; D12-N16 VanDerWaalsContact O-N 3.08Å; D12-N16 PolarHBondContact O-ND2 3.08Å
13	I	56.7	Low	45.6	Very low	47 Å²	47	109.2 Å²	109.2	24%	0.241	59%	0.591	C	S	.	*	H	α-helix	trans	-67.8	-46.1	172.7	-61.3	176.3	0	0	0	109.9	A11 N16 F17	A11-I13 VanDerWaalsContact C-N 3.29Å; A11-I13 PolarHBondContact O-N 3.49Å; I13-N16 PolarHBondContact O-N 3.48Å; I13-F17 HydrophobicContact CG2-CD2 4.31Å; I13-F17 WeakPolarHBondContact O-CB 3.29Å; I13-F17 PolarHBondContact O-N 3.02Å
14	M	48.2	Very low	46	Very low	125 Å²	125	109.8 Å²	109.8	62%	0.616	60%	0.6	S	S	*	*	H	α-helix	trans	-67	-38.7	179.6	-71.6	-159.6	-66.1	0	0	112.9	D10 A11 F17 Q18	D10-M14 WeakPolarHBondContact O-CG 3.41Å; D10-M14 PolarHBondContact O-N 3.24Å; A11-M14 PolarHBondContact O-N 3.49Å; M14-F17 WeakPolarHBondContact O-CB 3.37Å; M14-F17 PolarHBondContact O-N 3.45Å; M14-Q18 PolarHBondContact O-N 3.49Å
15	V	50.4	Low	46.3	Very low	99 Å²	99	106.2 Å²	106.2	60%	0.6	59%	0.589	S	S	*	*	H	α-helix	trans	-67.7	-40.9	177.9	171.7	0	0	0	0	110.8	A11 F17 Q18 G19	A11-V15 WeakPolarHBondContact O-CB 3.21Å; A11-V15 WeakPolarHBondContact O-CG2 3.43Å; A11-V15 PolarHBondContact O-N 3.24Å; V15-F17 VanDerWaalsContact C-N 3.33Å; V15-F17 PolarHBondContact O-N 3.38Å; V15-Q18 PolarHBondContact O-N 3.42Å; V15-G19 PolarHBondContact O-N 2.96Å
16	N	52	Low	46.6	Very low	111 Å²	111	111.6 Å²	111.6	59%	0.594	60%	0.601	S	S	*	*	H	α-helix	trans	-64.7	-36.8	171.9	-78.8	-41.9	0	0	0	112.2	D12 I13 G19 D20	D12-N16 WeakPolarHBondContact O-CB 3.28Å; D12-N16 PolarHBondContact O-N 2.97Å; D12-N16 VanDerWaalsContact O-N 3.08Å; D12-N16 PolarHBondContact O-ND2 3.08Å; I13-N16 PolarHBondContact O-N 3.48Å; N16-G19 PolarHBondContact O-N 2.94Å; N16-D20 WeakPolarHBondContact O-CB 3.33Å; N16-D20 PolarHBondContact O-N 3.26Å
17	F	50.7	Low	46.9	Very low	65 Å²	65	113.2 Å²	113.2	29%	0.285	59%	0.593	S	S	.	*	H	α-helix	trans	-64	-44.3	175.5	-114.7	-92.9	0	0	0	113.1	I13 M14 V15 G19 D20 F21 C29 Y31	I13-F17 HydrophobicContact CG2-CD2 4.31Å; I13-F17 WeakPolarHBondContact O-CB 3.29Å; I13-F17 PolarHBondContact O-N 3.02Å; M14-F17 WeakPolarHBondContact O-CB 3.37Å; M14-F17 PolarHBondContact O-N 3.45Å; V15-F17 VanDerWaalsContact C-N 3.33Å; V15-F17 PolarHBondContact O-N 3.38Å; F17-G19 VanDerWaalsContact C-N 3.35Å; F17-D20 PolarHBondContact O-N 2.97Å; F17-F21 PolarHBondContact O-N 3.21Å; F17-C29 HydrophobicContact CE1-CB 4.38Å; F17-C29 HydrophobicContact CZ-CB 3.96Å; F17-Y31 HydrophobicContact CE2-CE1 4.34Å; F17-Y31 AromaticContact CZ-CE1 3.84Å; F17-Y31 HydrophobicContact CZ-CE1 3.84Å
18	Q	42.3	Very low	47.6	Very low	150 Å²	150	107 Å²	107	70%	0.701	57%	0.569	S	S	*	*	H	α-helix	trans	-66.2	-39.3	177.4	-164.2	83.2	-3.2	0	0	110.9	M14 V15 F21	M14-Q18 PolarHBondContact O-N 3.49Å; V15-Q18 PolarHBondContact O-N 3.42Å; Q18-F21 PolarHBondContact O-N 3.42Å
19	G	39.7	Very low	48.8	Very low	42 Å²	42	104.3 Å²	104.3	43%	0.433	55%	0.554	S	S	.	*	H	α-helix	trans	-66.2	-35.7	175.8	0	0	0	0	0	113.8	V15 N16 F17	V15-G19 PolarHBondContact O-N 2.96Å; N16-G19 PolarHBondContact O-N 2.94Å; F17-G19 VanDerWaalsContact C-N 3.35Å
20	D	46.6	Very low	50.6	Low	75 Å²	75	103.9 Å²	103.9	40%	0.401	55%	0.545	S	S	.	.	H	α-helix	trans	-76.6	-21.4	178.2	-89.4	-23.5	0	0	0	113.6	N16 F17 L22 K23 K27	N16-D20 WeakPolarHBondContact O-CB 3.33Å; N16-D20 PolarHBondContact O-N 3.26Å; F17-D20 PolarHBondContact O-N 2.97Å; D20-L22 PolarHBondContact O-N 2.84Å; D20-K23 PolarHBondContact O-N 3.41Å; D20-K27 IonicContact OD1-NZ 2.77Å; D20-K27 PolarHBondContact OD1-NZ 3.36Å
21	F	46.6	Very low	52.6	Low	188 Å²	188	100.6 Å²	100.6	83%	0.825	53%	0.526	S	S	*	.	H	α-helix	trans	-66.6	-27.3	173.9	-158.8	-94.7	0	0	0	112.6	F17 Q18	F17-F21 PolarHBondContact O-N 3.21Å; Q18-F21 PolarHBondContact O-N 3.42Å
22	L	44.5	Very low	55.1	Low	154 Å²	154	100.9 Å²	100.9	81%	0.806	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-11.6	177.4	-69.3	170.1	0	0	0	113.4	D20 S24	D20-L22 PolarHBondContact O-N 2.84Å; L22-S24 PolarHBondContact O-N 3.23Å
23	K	39.6	Very low	57.3	Low	148 Å²	148	98.6 Å²	98.6	64%	0.643	51%	0.509	S	S	*	.			trans	-101.2	80.9	177.6	-110	176.3	178.3	172.8	0	110.5	D20 G25	D20-K23 PolarHBondContact O-N 3.41Å; K23-G25 PolarHBondContact O-N 2.95Å
24	S	42.5	Very low	59.2	Low	133 Å²	133	96.6 Å²	96.6	93%	0.93	50%	0.499	S	S	*	.			trans	-60	102.8	168.6	-174	0	0	0	0	110.5	L22	L22-S24 PolarHBondContact O-N 3.23Å
25	G	40.5	Very low	61.6	Low	53 Å²	53	90.6 Å²	90.6	55%	0.546	47%	0.469	S	S	.	.	S	Bend	trans	176.1	72.8	176.4	0	0	0	0	0	109.8	K23 K27	K23-G25 PolarHBondContact O-N 2.95Å; G25-K27 PolarHBondContact O-N 3.43Å
26	R	44.6	Very low	63.8	Low	262 Å²	262	85.9 Å²	85.9	99%	0.989	44%	0.441	S	S	*	.			trans	21.7	48.6	169.4	-153.5	-174.8	-83.2	154.8	-6.3	116
27	K	46.6	Very low	65.9	Low	121 Å²	121	80.8 Å²	80.8	53%	0.526	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-82.8	116.3	168.6	-74.9	-173.9	-178.9	-176.2	0	106.5	D20 G25 C29	D20-K27 IonicContact OD1-NZ 2.77Å; D20-K27 PolarHBondContact OD1-NZ 3.36Å; G25-K27 PolarHBondContact O-N 3.43Å; K27-C29 PolarHBondContact O-N 3.17Å
28	S	59.7	Low	68	Low	54 Å²	54	77.7 Å²	77.7	38%	0.378	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-60.7	127.1	166.7	39.1	0	0	0	0	108.1	R30	S28-R30 PolarHBondContact O-N 3.11Å; S28-R30 VanDerWaalsContact O-N 3.15Å; S28-R30 PolarHBondContact OG-NE 3.44Å; S28-R30 PolarHBondContact OG-NH2 3.43Å; S28-R30 VanDerWaalsContact OG-NH2 3.07Å
29	C	74.8	Confident	70.5	Confident	32 Å²	32	71.1 Å²	71.1	22%	0.216	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-61.4	119	168.5	-67.8	0	0	0	0	107.2	F17 K27 Y31 R80	F17-C29 HydrophobicContact CE1-CB 4.38Å; F17-C29 HydrophobicContact CZ-CB 3.96Å; K27-C29 PolarHBondContact O-N 3.17Å; C29-Y31 HydrophobicContact CB-CE2 3.87Å; C29-Y31 WeakPolarHBondContact O-CD2 3.41Å; C29-Y31 VanDerWaalsContact O-CE2 3.22Å; C29-Y31 WeakPolarHBondContact O-CE2 3.44Å; C29-R80 PolarHBondContact SG-NH2 3.15Å
30	R	89.8	Confident	73	Confident	101 Å²	101	70.2 Å²	70.2	38%	0.381	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-89.8	142.2	-180	-63.8	-60.5	-176.6	-168.7	-3.3	109.9	S28 S59 G60 V61 D74	S28-R30 PolarHBondContact O-N 3.11Å; S28-R30 VanDerWaalsContact O-N 3.15Å; S28-R30 PolarHBondContact OG-NE 3.44Å; S28-R30 PolarHBondContact OG-NH2 3.43Å; S28-R30 VanDerWaalsContact OG-NH2 3.07Å; R30-S59 WeakPolarHBondContact CD-O 3.39Å; R30-G60 VanDerWaalsContact CD-O 3.25Å; R30-G60 WeakPolarHBondContact CD-O 3.34Å; R30-G60 PolarHBondContact NH1-O 3.48Å; R30-V61 VanDerWaalsContact NH1-CA 3.29Å; R30-V61 VanDerWaalsContact NH1-CG2 3.34Å; R30-D74 IonicContact CZ-OD1 2.69Å; R30-D74 IonicContact CZ-OD2 3.27Å; R30-D74 VanDerWaalsContact CZ-OD2 3.25Å; R30-D74 IonicContact NH1-OD1 3.58Å; R30-D74 PolarHBondContact NH1-OD1 3.34Å; R30-D74 IonicContact NH1-OD2 3.25Å; R30-D74 PolarHBondContact NH1-OD2 3.33Å; R30-D74 IonicContact NH2-OD2 2.73Å; R30-D74 PolarHBondContact NH2-OD2 3.04Å
31	Y	93.7	Very high	75	Confident	11 Å²	11	70.1 Å²	70.1	4%	0.043	36%	0.358	C	S	.	.			trans	-130.2	71.4	178.7	-55.9	-85.6	0	0	0	109.8	F17 C29 Y33 C34 V36 C56 G60 I62 P81 Y84 V158	F17-Y31 HydrophobicContact CE2-CE1 4.34Å; F17-Y31 AromaticContact CZ-CE1 3.84Å; F17-Y31 HydrophobicContact CZ-CE1 3.84Å; C29-Y31 HydrophobicContact CB-CE2 3.87Å; C29-Y31 WeakPolarHBondContact O-CD2 3.41Å; C29-Y31 VanDerWaalsContact O-CE2 3.22Å; C29-Y31 WeakPolarHBondContact O-CE2 3.44Å; Y31-Y33 PolarHBondContact O-N 3.03Å; Y31-C34 WeakPolarHBondContact O-CB 3.48Å; Y31-C34 PolarHBondContact O-N 2.89Å; Y31-V36 HydrophobicContact CD1-CG1 4.47Å; Y31-V36 HydrophobicContact CD2-CG1 3.92Å; Y31-V36 HydrophobicContact CG-CG1 3.88Å; Y31-C56 WeakPolarHBondContact O-CB 3.45Å; Y31-C56 PolarHBondContact O-SG 2.93Å; Y31-G60 PolarHBondContact N-O 3.44Å; Y31-I62 HydrophobicContact CD2-CD1 4.16Å; Y31-I62 HydrophobicContact CD2-CG1 4.47Å; Y31-I62 HydrophobicContact CE2-CD1 4.33Å; Y31-P81 HydrophobicContact CD2-CG 4.48Å; Y31-P81 HydrophobicContact CE2-CB 4.37Å; Y31-P81 HydrophobicContact CE2-CG 3.87Å; Y31-Y84 HydrophobicContact CD1-CG 4.18Å; Y31-Y84 HydrophobicContact CE1-CD1 4.35Å; Y31-Y84 HydrophobicContact CE1-CG 4.45Å; Y31-V158 HydrophobicContact CE1-CG1 3.88Å
32	P	95.9	Very high	77.1	Confident	53 Å²	53	66.9 Å²	66.9	34%	0.344	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	131.8	-174.8	27.4	-36	0	0	0	111.3	C34 S58	P32-C34 PolarHBondContact O-N 3.45Å; P32-C34 PolarHBondContact O-SG 3.2Å; P32-S58 WeakPolarHBondContact CB-O 3.3Å
33	Y	97.1	Very high	79.3	Confident	46 Å²	46	62.4 Å²	62.4	18%	0.18	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	25	-178.9	-45.5	-74	0	0	0	114.9	Y31 T57 S58 L87 V89 A97 W100	Y31-Y33 PolarHBondContact O-N 3.03Å; Y33-T57 PolarHBondContact N-O 3.01Å; Y33-S58 VanDerWaalsContact CE1-CB 3.5Å; Y33-S58 WeakPolarHBondContact OH-CB 3.41Å; Y33-L87 WeakPolarHBondContact O-CB 3.34Å; Y33-L87 PolarHBondContact O-N 3.18Å; Y33-V89 HydrophobicContact CD1-CB 4.1Å; Y33-V89 HydrophobicContact CD1-CG2 3.95Å; Y33-V89 HydrophobicContact CE1-CB 4.16Å; Y33-V89 HydrophobicContact CE1-CG2 3.67Å; Y33-V89 HydrophobicContact CG-CB 4.43Å; Y33-A97 HydrophobicContact CE1-CB 4.38Å; Y33-A97 WeakPolarHBondContact OH-CB 3Å; Y33-W100 AromaticContact CD1-CD2 3.92Å; Y33-W100 HydrophobicContact CD1-CD2 3.92Å; Y33-W100 HydrophobicContact CD1-CE3 4.44Å; Y33-W100 AromaticContact CD1-CG 4Å; Y33-W100 HydrophobicContact CD1-CG 4Å; Y33-W100 HydrophobicContact CE1-CG 4.27Å
34	C	97.8	Very high	81.8	Confident	5 Å²	5	55.4 Å²	55.4	3%	0.034	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	147.5	-179.4	-66.2	0	0	0	0	112.7	Y31 P32 V36 C56 W85	Y31-C34 WeakPolarHBondContact O-CB 3.48Å; Y31-C34 PolarHBondContact O-N 2.89Å; P32-C34 PolarHBondContact O-N 3.45Å; P32-C34 PolarHBondContact O-SG 3.2Å; C34-V36 HydrophobicContact CB-CG1 4.45Å; C34-C56 VanDerWaalsContact O-CB 3.3Å; C34-C56 WeakPolarHBondContact O-CB 3.41Å; C34-C56 PolarHBondContact O-N 3.3Å; C34-C56 PolarHBondContact O-SG 3.33Å; C34-W85 CarbonylContact C-O 3.41Å; C34-W85 VanDerWaalsContact CA-O 3.3Å; C34-W85 WeakPolarHBondContact CA-O 3.36Å
35	I	97.9	Very high	84.2	Confident	0 Å²	0	55 Å²	55	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	132.9	151.7	-66.5	173.6	0	0	0	107.4	M53 G54 Y84 W85 L87 V127 L131 L147	I35-M53 HydrophobicContact CG2-CE 3.98Å; I35-M53 HydrophobicContact CG2-CG 3.45Å; I35-M53 VanDerWaalsContact CG2-CG 3.45Å; I35-M53 HydrophobicContact CG2-SD 3.52Å; I35-M53 VanDerWaalsContact CG2-SD 3.52Å; I35-G54 CarbonylContact C-O 3.59Å; I35-G54 WeakPolarHBondContact CA-O 3.44Å; I35-Y84 CarbonylContact O-C 3.58Å; I35-Y84 VanDerWaalsContact O-CA 3.27Å; I35-Y84 WeakPolarHBondContact O-CA 3.38Å; I35-W85 HydrophobicContact CB-CB 4.47Å; I35-W85 HydrophobicContact CB-CE3 4.44Å; I35-W85 HydrophobicContact CD1-CE3 3.8Å; I35-W85 HydrophobicContact CD1-CZ3 3.88Å; I35-W85 PolarHBondContact N-O 3.1Å; I35-W85 PolarHBondContact O-N 3.44Å; I35-L87 HydrophobicContact CD1-CD1 3.63Å; I35-L87 HydrophobicContact CD1-CG 4.37Å; I35-L87 HydrophobicContact CG1-CD1 3.85Å; I35-L87 HydrophobicContact CG1-CG 4.48Å; I35-V127 HydrophobicContact CD1-CG1 3.8Å; I35-V127 HydrophobicContact CG1-CG1 3.96Å; I35-L131 HydrophobicContact CD1-CD1 4.29Å; I35-L147 HydrophobicContact CD1-CD2 3.74Å
36	V	96.9	Very high	86.7	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	151	178.2	-71.6	0	0	0	0	110.6	Y31 C34 M53 G54 I62 M76 P81	Y31-V36 HydrophobicContact CD1-CG1 4.47Å; Y31-V36 HydrophobicContact CD2-CG1 3.92Å; Y31-V36 HydrophobicContact CG-CG1 3.88Å; C34-V36 HydrophobicContact CB-CG1 4.45Å; V36-M53 CarbonylContact O-C 3.48Å; V36-M53 VanDerWaalsContact O-CA 3.29Å; V36-M53 WeakPolarHBondContact O-CA 3.48Å; V36-G54 PolarHBondContact N-O 3.47Å; V36-G54 PolarHBondContact O-N 3.02Å; V36-I62 HydrophobicContact CG2-CD1 4.36Å; V36-I62 HydrophobicContact CG2-CG1 4.23Å; V36-I62 HydrophobicContact CG2-CG2 3.67Å; V36-M76 HydrophobicContact CB-SD 4.29Å; V36-M76 HydrophobicContact CG2-CE 3.9Å; V36-M76 HydrophobicContact CG2-SD 3.75Å; V36-P81 HydrophobicContact CB-CB 3.98Å; V36-P81 HydrophobicContact CB-CG 3.89Å; V36-P81 HydrophobicContact CG1-CB 4.19Å; V36-P81 HydrophobicContact CG1-CG 4.03Å; V36-P81 HydrophobicContact CG2-CG 4.31Å
37	W	96.6	Very high	89	Confident	4 Å²	4	46.6 Å²	46.6	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	143.2	-176.5	-177.9	103.9	0	0	0	111.6	P39 H52 P81 T82 K83 T166	W37-P39 HydrophobicContact CH2-CB 3.86Å; W37-P39 HydrophobicContact CZ3-CB 4Å; W37-P39 HydrophobicContact CZ3-CG 4.33Å; W37-H52 CarbonylContact C-O 3.52Å; W37-H52 VanDerWaalsContact CA-O 3.23Å; W37-H52 WeakPolarHBondContact CA-O 3.47Å; W37-P81 CarbonylContact O-C 3.52Å; W37-P81 WeakPolarHBondContact O-CA 3.4Å; W37-T82 VanDerWaalsContact CE3-OG1 3.28Å; W37-T82 VanDerWaalsContact CZ3-OG1 3.31Å; W37-T82 WeakPolarHBondContact CZ3-OG1 3.4Å; W37-T82 PolarHBondContact O-N 3.34Å; W37-T82 PolarHBondContact O-OG1 2.82Å; W37-K83 HydrophobicContact CB-CB 4.23Å; W37-K83 VanDerWaalsContact CD2-CE 3.42Å; W37-K83 HydrophobicContact CE3-CB 4.44Å; W37-K83 HydrophobicContact CE3-CD 4.34Å; W37-K83 HydrophobicContact CE3-CG 4.35Å; W37-K83 PolarHBondContact N-O 3.2Å; W37-K83 PolarHBondContact O-N 3.18Å; W37-K83 VanDerWaalsContact O-N 3.09Å; W37-T166 HydrophobicContact CH2-CG2 3.86Å; W37-T166 HydrophobicContact CZ3-CG2 3.76Å
38	T	94.7	Very high	91	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	143.2	177.4	-170.6	0	0	0	0	110.7	H52 M76 F78 G79 R80	T38-H52 HydrophobicContact CG2-CB 3.78Å; T38-H52 PolarHBondContact N-O 3.44Å; T38-H52 PolarHBondContact O-N 3.22Å; T38-M76 HydrophobicContact CG2-CB 4.39Å; T38-M76 HydrophobicContact CG2-CE 3.81Å; T38-M76 HydrophobicContact CG2-SD 4.13Å; T38-F78 HydrophobicContact CG2-CB 3.94Å; T38-G79 PolarHBondContact OG1-O 3.4Å; T38-R80 PolarHBondContact OG1-O 2.69Å
39	P	94.3	Very high	92.3	Very high	12 Å²	12	42.5 Å²	42.5	8%	0.078	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-70.8	136.3	-178.3	28.2	-34	0	0	0	111.2	W37 S44 T82 K165	W37-P39 HydrophobicContact CH2-CB 3.86Å; W37-P39 HydrophobicContact CZ3-CB 4Å; W37-P39 HydrophobicContact CZ3-CG 4.33Å; P39-S44 WeakPolarHBondContact CA-OG 3.45Å; P39-T82 WeakPolarHBondContact CD-OG1 3.41Å; P39-T82 HydrophobicContact CG-CG2 4.19Å; P39-K165 HydrophobicContact CG-CG 4.32Å
40	I	92.3	Very high	93	Very high	23 Å²	23	43.6 Å²	43.6	12%	0.118	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-83.9	125.2	171.5	-62.4	170	0	0	0	107.8	I42 L43 S44 H52 F78	I40-I42 PolarHBondContact O-N 3.21Å; I40-L43 HydrophobicContact CB-CB 4.26Å; I40-L43 HydrophobicContact CD1-CD2 4.17Å; I40-L43 HydrophobicContact CG2-CB 4.03Å; I40-L43 HydrophobicContact CG2-CD2 4.44Å; I40-L43 PolarHBondContact O-N 2.95Å; I40-S44 PolarHBondContact N-OG 3.42Å; I40-S44 VanDerWaalsContact O-CB 3.29Å; I40-S44 WeakPolarHBondContact O-CB 3.25Å; I40-S44 PolarHBondContact O-N 2.92Å; I40-S44 PolarHBondContact O-OG 2.77Å; I40-H52 HydrophobicContact CD1-CB 4.15Å; I40-H52 HydrophobicContact CG1-CB 3.87Å; I40-F78 HydrophobicContact CD1-CE2 4.3Å; I40-F78 HydrophobicContact CG1-CD1 4.45Å; I40-F78 HydrophobicContact CG1-CD2 3.95Å; I40-F78 HydrophobicContact CG1-CE1 4.41Å; I40-F78 HydrophobicContact CG1-CE2 3.9Å; I40-F78 HydrophobicContact CG1-CG 4.21Å; I40-F78 HydrophobicContact CG1-CZ 4.13Å; I40-F78 HydrophobicContact CG2-CD1 4.26Å; I40-F78 HydrophobicContact CG2-CE1 3.88Å; I40-F78 HydrophobicContact CG2-CZ 4.12Å
41	P	89.4	Confident	93.1	Very high	73 Å²	73	38.9 Å²	38.9	47%	0.474	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	141.9	177.9	-26.7	34.8	0	0	0	112.2	L43 F78	P41-L43 PolarHBondContact O-N 3.11Å; P41-F78 HydrophobicContact CG-CD1 4.47Å
42	I	89.8	Confident	93.2	Very high	119 Å²	119	38.4 Å²	38.4	61%	0.61	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.2	-54	-177.7	-53.4	170.1	0	0	0	113.1	I40 W45 V46	I40-I42 PolarHBondContact O-N 3.21Å; I42-W45 HydrophobicContact CG1-CE3 4.26Å; I42-W45 HydrophobicContact CG1-CZ3 4.1Å; I42-W45 WeakPolarHBondContact O-CB 3.49Å; I42-W45 PolarHBondContact O-N 3.39Å; I42-V46 PolarHBondContact O-N 3.4Å
43	L	90.5	Very high	93.1	Very high	61 Å²	61	35.9 Å²	35.9	32%	0.319	18%	0.181	S	C	.	.	H	α-helix	trans	-62.8	-52.8	-178.4	-179.8	60.8	0	0	0	111.7	I40 P41 W45 V46 L47 I50	I40-L43 HydrophobicContact CB-CB 4.26Å; I40-L43 HydrophobicContact CD1-CD2 4.17Å; I40-L43 HydrophobicContact CG2-CB 4.03Å; I40-L43 HydrophobicContact CG2-CD2 4.44Å; I40-L43 PolarHBondContact O-N 2.95Å; P41-L43 PolarHBondContact O-N 3.11Å; L43-W45 PolarHBondContact O-N 2.94Å; L43-V46 PolarHBondContact O-N 3.48Å; L43-L47 PolarHBondContact O-N 3.44Å; L43-I50 HydrophobicContact CD2-CG2 3.91Å; L43-I50 HydrophobicContact CG-CG2 4.25Å
44	S	92.7	Very high	93.1	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.007	17%	0.173	C	C	.	.	H	α-helix	trans	-70.8	-14.3	178.2	-56.2	0	0	0	0	112.9	P39 I40 V46 L47 P48 I50	P39-S44 WeakPolarHBondContact CA-OG 3.45Å; I40-S44 PolarHBondContact N-OG 3.42Å; I40-S44 VanDerWaalsContact O-CB 3.29Å; I40-S44 WeakPolarHBondContact O-CB 3.25Å; I40-S44 PolarHBondContact O-N 2.92Å; I40-S44 PolarHBondContact O-OG 2.77Å; S44-V46 VanDerWaalsContact C-N 3.32Å; S44-L47 WeakPolarHBondContact CA-O 3.44Å; S44-L47 CarbonylContact O-C 3.37Å; S44-P48 WeakPolarHBondContact O-CA 3.41Å; S44-I50 WeakPolarHBondContact CB-O 3.25Å; S44-I50 PolarHBondContact OG-O 3.34Å
45	W	92.9	Very high	93.1	Very high	123 Å²	123	33.5 Å²	33.5	47%	0.466	17%	0.171	S	C	.	.	H	α-helix	trans	-73	-30.4	174	-58	-9.1	0	0	0	111.5	I42 L43 P169 F170	I42-W45 HydrophobicContact CG1-CE3 4.26Å; I42-W45 HydrophobicContact CG1-CZ3 4.1Å; I42-W45 WeakPolarHBondContact O-CB 3.49Å; I42-W45 PolarHBondContact O-N 3.39Å; L43-W45 PolarHBondContact O-N 2.94Å; W45-P169 HydrophobicContact CB-CB 3.82Å; W45-P169 HydrophobicContact CD2-CB 3.99Å; W45-P169 HydrophobicContact CG-CB 3.47Å; W45-P169 VanDerWaalsContact CG-CB 3.47Å; W45-P169 HydrophobicContact CG-CG 4.22Å; W45-F170 WeakPolarHBondContact O-CA 3.24Å; W45-F170 WeakPolarHBondContact O-CB 3.46Å; W45-F170 WeakPolarHBondContact O-CD2 3.43Å
46	V	92.9	Very high	93.1	Very high	75 Å²	75	33.5 Å²	33.5	46%	0.455	17%	0.171	S	C	.	.	H	α-helix	trans	-90.4	-36.7	175.7	-176.3	0	0	0	0	110.8	I42 L43 S44 F170 L173	I42-V46 PolarHBondContact O-N 3.4Å; L43-V46 PolarHBondContact O-N 3.48Å; S44-V46 VanDerWaalsContact C-N 3.32Å; V46-F170 WeakPolarHBondContact O-CD2 3.5Å; V46-F170 WeakPolarHBondContact O-CE2 3.44Å; V46-L173 HydrophobicContact CG2-CD1 4.43Å
47	L	92.1	Very high	93.1	Very high	64 Å²	64	34.2 Å²	34.2	34%	0.335	18%	0.176	S	C	.	.			trans	-127.5	83.4	-177.2	-60.1	172.8	0	0	0	110	L43 S44 F49 I50	L43-L47 PolarHBondContact O-N 3.44Å; S44-L47 WeakPolarHBondContact CA-O 3.44Å; S44-L47 CarbonylContact O-C 3.37Å; L47-F49 HydrophobicContact CB-CE1 4.46Å; L47-F49 HydrophobicContact CB-CZ 4.26Å; L47-F49 HydrophobicContact CD2-CE1 4.27Å; L47-F49 HydrophobicContact CD2-CZ 3.87Å; L47-F49 PolarHBondContact O-N 2.93Å; L47-I50 HydrophobicContact CB-CB 4.23Å; L47-I50 HydrophobicContact CB-CD1 4.04Å; L47-I50 HydrophobicContact CB-CG1 4.04Å; L47-I50 HydrophobicContact CD1-CD1 3.59Å; L47-I50 HydrophobicContact CD1-CG1 4.5Å; L47-I50 HydrophobicContact CG-CD1 4.43Å; L47-I50 PolarHBondContact O-N 2.98Å
48	P	88.3	Confident	93.1	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.032	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-7.1	-168.7	27.1	-36	0	0	0	115.1	S44 W167 F170	S44-P48 WeakPolarHBondContact O-CA 3.41Å; P48-W167 HydrophobicContact CB-CE3 3.99Å; P48-W167 HydrophobicContact CB-CH2 4.49Å; P48-W167 HydrophobicContact CB-CZ3 3.94Å; P48-W167 HydrophobicContact CG-CE3 4.03Å; P48-W167 HydrophobicContact CG-CH2 4.38Å; P48-W167 HydrophobicContact CG-CZ3 3.65Å; P48-F170 HydrophobicContact CB-CB 4.34Å; P48-F170 HydrophobicContact CB-CG 4.49Å; P48-F170 HydrophobicContact CG-CB 4.19Å; P48-F170 HydrophobicContact CG-CD1 4.08Å; P48-F170 HydrophobicContact CG-CD2 4.01Å; P48-F170 HydrophobicContact CG-CE1 4.48Å; P48-F170 HydrophobicContact CG-CE2 4.41Å; P48-F170 HydrophobicContact CG-CG 3.82Å
49	F	87.4	Confident	93	Very high	85 Å²	85	38.9 Å²	38.9	37%	0.373	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-18.7	173.3	50.8	-91.2	0	0	0	113.2	L47 F152	L47-F49 HydrophobicContact CB-CE1 4.46Å; L47-F49 HydrophobicContact CB-CZ 4.26Å; L47-F49 HydrophobicContact CD2-CE1 4.27Å; L47-F49 HydrophobicContact CD2-CZ 3.87Å; L47-F49 PolarHBondContact O-N 2.93Å; F49-F152 HydrophobicContact CB-CD2 3.51Å; F49-F152 HydrophobicContact CB-CE2 3.77Å; F49-F152 HydrophobicContact CB-CG 4.1Å
50	I	90.3	Very high	93	Very high	54 Å²	54	38.3 Å²	38.3	28%	0.277	21%	0.205	S	C	.	.			trans	-89.4	130	174.1	-57.4	-173.5	0	0	0	108.7	L43 S44 L47	L43-I50 HydrophobicContact CD2-CG2 3.91Å; L43-I50 HydrophobicContact CG-CG2 4.25Å; S44-I50 WeakPolarHBondContact CB-O 3.25Å; S44-I50 PolarHBondContact OG-O 3.34Å; L47-I50 HydrophobicContact CB-CB 4.23Å; L47-I50 HydrophobicContact CB-CD1 4.04Å; L47-I50 HydrophobicContact CB-CG1 4.04Å; L47-I50 HydrophobicContact CD1-CD1 3.59Å; L47-I50 HydrophobicContact CD1-CG1 4.5Å; L47-I50 HydrophobicContact CG-CD1 4.43Å; L47-I50 PolarHBondContact O-N 2.98Å
51	G	92.3	Very high	93.1	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.021	21%	0.205	C	C	.	.			trans	-170.3	-172.3	176.7	0	0	0	0	0	111.6	H124	G51-H124 PolarHBondContact O-NE2 3.4Å
52	H	94.3	Very high	93.4	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.009	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	139.2	-174.5	-175	63.9	0	0	0	111.1	W37 T38 I40 D64 F65 F78 C123	W37-H52 CarbonylContact C-O 3.52Å; W37-H52 VanDerWaalsContact CA-O 3.23Å; W37-H52 WeakPolarHBondContact CA-O 3.47Å; T38-H52 HydrophobicContact CG2-CB 3.78Å; T38-H52 PolarHBondContact N-O 3.44Å; T38-H52 PolarHBondContact O-N 3.22Å; I40-H52 HydrophobicContact CD1-CB 4.15Å; I40-H52 HydrophobicContact CG1-CB 3.87Å; H52-D64 IonicContact CD2-OD2 3Å; H52-D64 IonicContact CE1-OD2 2.76Å; H52-D64 IonicContact NE2-OD2 3.72Å; H52-D64 PolarHBondContact NE2-OD2 3.28Å; H52-F65 PolarHBondContact CE1-O 3.06Å; H52-F78 HydrophobicContact CB-CD2 3.39Å; H52-F78 HydrophobicContact CB-CE2 3.82Å; H52-F78 HydrophobicContact CB-CG 4.41Å; H52-F78 AromaticContact CD2-CD2 3.77Å; H52-F78 AromaticContact CG-CD2 3.47Å; H52-F78 VanDerWaalsContact CG-CD2 3.47Å; H52-F78 AromaticContact CG-CE2 3.73Å; H52-F78 AromaticContact ND1-CE2 3.79Å; H52-C123 WeakPolarHBondContact CE1-CB 3.42Å; H52-C123 WeakPolarHBondContact ND1-CB 3.32Å; H52-C123 PolarHBondContact ND1-SG 3.26Å
53	M	95.4	Very high	93.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	147.8	-172.4	-168	178.1	-80	0	0	111.1	I35 V36 C123 H124 V127 L147	I35-M53 HydrophobicContact CG2-CE 3.98Å; I35-M53 HydrophobicContact CG2-CG 3.45Å; I35-M53 VanDerWaalsContact CG2-CG 3.45Å; I35-M53 HydrophobicContact CG2-SD 3.52Å; I35-M53 VanDerWaalsContact CG2-SD 3.52Å; V36-M53 CarbonylContact O-C 3.48Å; V36-M53 VanDerWaalsContact O-CA 3.29Å; V36-M53 WeakPolarHBondContact O-CA 3.48Å; M53-C123 PolarHBondContact N-SG 2.88Å; M53-C123 WeakPolarHBondContact O-CB 3.47Å; M53-H124 VanDerWaalsContact CB-CD2 3.47Å; M53-H124 WeakPolarHBondContact CB-CD2 3.46Å; M53-V127 HydrophobicContact CG-CG2 3.98Å; M53-V127 HydrophobicContact SD-CB 4.12Å; M53-V127 HydrophobicContact SD-CG1 4.01Å; M53-V127 HydrophobicContact SD-CG2 4.22Å; M53-L147 HydrophobicContact CE-CB 4.21Å; M53-L147 HydrophobicContact SD-CB 4.15Å; M53-L147 HydrophobicContact SD-CD1 4.16Å; M53-L147 HydrophobicContact SD-CD2 4.49Å
54	G	96.1	Very high	93.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	163.4	168.3	0	0	0	0	0	110.6	I35 V36 R63	I35-G54 CarbonylContact C-O 3.59Å; I35-G54 WeakPolarHBondContact CA-O 3.44Å; V36-G54 PolarHBondContact N-O 3.47Å; V36-G54 PolarHBondContact O-N 3.02Å; G54-R63 CarbonylContact C-O 3.51Å; G54-R63 VanDerWaalsContact CA-O 3.28Å; G54-R63 WeakPolarHBondContact CA-O 3.18Å
55	I	98	Very high	93.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	142.6	172.6	-170.6	165	0	0	0	109.2	R63 W100 V104 V127 A130 L131 M134	I55-R63 PolarHBondContact N-O 3.08Å; I55-R63 PolarHBondContact O-N 2.96Å; I55-W100 HydrophobicContact CD1-CH2 4.26Å; I55-W100 HydrophobicContact CD1-CZ2 3.89Å; I55-W100 HydrophobicContact CG1-CZ2 3.94Å; I55-V104 HydrophobicContact CD1-CG2 3.93Å; I55-V104 HydrophobicContact CG1-CG2 4.02Å; I55-V104 HydrophobicContact CG2-CG1 4Å; I55-V104 HydrophobicContact CG2-CG2 4.04Å; I55-V127 HydrophobicContact CB-CG1 4.2Å; I55-V127 HydrophobicContact CB-CG2 3.98Å; I55-V127 HydrophobicContact CD1-CG1 4.42Å; I55-V127 HydrophobicContact CG2-CG2 4.27Å; I55-A130 HydrophobicContact CD1-CB 3.89Å; I55-A130 HydrophobicContact CG2-CB 4.29Å; I55-L131 HydrophobicContact CD1-CD2 4.17Å; I55-M134 HydrophobicContact CD1-CE 4.3Å
56	C	97.6	Very high	93.3	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	145.6	-177.1	-53.5	0	0	0	0	111.4	Y31 C34 V61 W100	Y31-C56 WeakPolarHBondContact O-CB 3.45Å; Y31-C56 PolarHBondContact O-SG 2.93Å; C34-C56 VanDerWaalsContact O-CB 3.3Å; C34-C56 WeakPolarHBondContact O-CB 3.41Å; C34-C56 PolarHBondContact O-N 3.3Å; C34-C56 PolarHBondContact O-SG 3.33Å; C56-V61 CarbonylContact C-O 3.54Å; C56-V61 WeakPolarHBondContact CA-O 3.33Å; C56-W100 PolarHBondContact O-NE1 2.86Å
57	T	97.3	Very high	92.7	Very high	16 Å²	16	21.2 Å²	21.2	10%	0.098	12%	0.123	C	C	.	.			trans	-66.2	174.2	169.6	64.5	0	0	0	0	111.6	Y33 S59 G60 V61 D101 V104	Y33-T57 PolarHBondContact N-O 3.01Å; T57-S59 PolarHBondContact O-N 3.16Å; T57-S59 PolarHBondContact OG1-N 2.92Å; T57-S59 PolarHBondContact OG1-OG 2.74Å; T57-G60 WeakPolarHBondContact O-CA 3.15Å; T57-G60 PolarHBondContact O-N 2.89Å; T57-G60 PolarHBondContact OG1-N 3.27Å; T57-V61 HydrophobicContact CG2-CB 4.06Å; T57-V61 PolarHBondContact N-O 3.43Å; T57-V61 WeakPolarHBondContact OG1-CB 3.41Å; T57-V61 PolarHBondContact OG1-N 2.77Å; T57-D101 VanDerWaalsContact CA-OD1 3.3Å; T57-D101 WeakPolarHBondContact CA-OD1 3.36Å; T57-D101 VanDerWaalsContact CB-OD1 3.27Å; T57-D101 WeakPolarHBondContact CB-OD1 3.43Å; T57-V104 HydrophobicContact CG2-CG1 4.31Å
58	S	96.2	Very high	92.1	Very high	30 Å²	30	21 Å²	21	21%	0.21	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-31.6	170.9	69.6	0	0	0	0	113.1	P32 Y33 G60 D101	P32-S58 WeakPolarHBondContact CB-O 3.3Å; Y33-S58 VanDerWaalsContact CE1-CB 3.5Å; Y33-S58 WeakPolarHBondContact OH-CB 3.41Å; S58-G60 VanDerWaalsContact C-N 3.29Å; S58-D101 WeakPolarHBondContact CB-OD1 3.32Å; S58-D101 WeakPolarHBondContact CB-OD2 3.31Å; S58-D101 PolarHBondContact N-OD1 2.92Å; S58-D101 PolarHBondContact OG-OD1 2.88Å; S58-D101 PolarHBondContact OG-OD2 2.73Å
59	S	94.1	Very high	91.9	Very high	71 Å²	71	27.4 Å²	27.4	50%	0.497	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-2.7	173.9	56.6	0	0	0	0	113.6	R30 T57	R30-S59 WeakPolarHBondContact CD-O 3.39Å; T57-S59 PolarHBondContact O-N 3.16Å; T57-S59 PolarHBondContact OG1-N 2.92Å; T57-S59 PolarHBondContact OG1-OG 2.74Å
60	G	93.6	Very high	91.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.158	C	C	.	.			trans	77.7	24.4	-180	0	0	0	0	0	114.4	R30 Y31 T57 S58	R30-G60 VanDerWaalsContact CD-O 3.25Å; R30-G60 WeakPolarHBondContact CD-O 3.34Å; R30-G60 PolarHBondContact NH1-O 3.48Å; Y31-G60 PolarHBondContact N-O 3.44Å; T57-G60 WeakPolarHBondContact O-CA 3.15Å; T57-G60 PolarHBondContact O-N 2.89Å; T57-G60 PolarHBondContact OG1-N 3.27Å; S58-G60 VanDerWaalsContact C-N 3.29Å
61	V	95	Very high	91.8	Very high	19 Å²	19	26.7 Å²	26.7	12%	0.115	15%	0.148	C	C	.	.			trans	-76.5	125.2	169.6	178.4	0	0	0	0	109	R30 C56 T57 E73 D74	R30-V61 VanDerWaalsContact NH1-CA 3.29Å; R30-V61 VanDerWaalsContact NH1-CG2 3.34Å; C56-V61 CarbonylContact C-O 3.54Å; C56-V61 WeakPolarHBondContact CA-O 3.33Å; T57-V61 HydrophobicContact CG2-CB 4.06Å; T57-V61 PolarHBondContact N-O 3.43Å; T57-V61 WeakPolarHBondContact OG1-CB 3.41Å; T57-V61 PolarHBondContact OG1-N 2.77Å; V61-E73 HydrophobicContact CG1-CG 3.41Å; V61-E73 VanDerWaalsContact CG1-CG 3.41Å; V61-D74 WeakPolarHBondContact CA-OD1 3.4Å
62	I	95.8	Very high	91.5	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.026	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	131.8	-178.1	-57.3	167.5	0	0	0	109.1	Y31 V36 E73 D74 M76 P81	Y31-I62 HydrophobicContact CD2-CD1 4.16Å; Y31-I62 HydrophobicContact CD2-CG1 4.47Å; Y31-I62 HydrophobicContact CE2-CD1 4.33Å; V36-I62 HydrophobicContact CG2-CD1 4.36Å; V36-I62 HydrophobicContact CG2-CG1 4.23Å; V36-I62 HydrophobicContact CG2-CG2 3.67Å; I62-E73 WeakPolarHBondContact O-CA 3.31Å; I62-D74 PolarHBondContact N-OD1 3.39Å; I62-D74 PolarHBondContact O-N 3.04Å; I62-M76 HydrophobicContact CD1-CG 4.48Å; I62-M76 HydrophobicContact CG2-CG 3.79Å; I62-M76 HydrophobicContact CG2-SD 4.38Å; I62-P81 HydrophobicContact CD1-CG 3.72Å
63	R	95.7	Very high	91.4	Very high	45 Å²	45	32 Å²	32	17%	0.17	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.9	167	-62.5	-65.4	-168.6	179.9	-9.7	109.2	G54 I55 V71 E73 V104	G54-R63 CarbonylContact C-O 3.51Å; G54-R63 VanDerWaalsContact CA-O 3.28Å; G54-R63 WeakPolarHBondContact CA-O 3.18Å; I55-R63 PolarHBondContact N-O 3.08Å; I55-R63 PolarHBondContact O-N 2.96Å; R63-V71 HydrophobicContact CB-CG1 4.37Å; R63-E73 IonicContact CZ-OE2 2.72Å; R63-E73 IonicContact NH1-OE2 3.96Å; R63-E73 PolarHBondContact NH1-OE2 2.73Å; R63-E73 IonicContact NH2-OE2 3.51Å; R63-E73 PolarHBondContact NH2-OE2 3.24Å; R63-V104 HydrophobicContact CB-CG1 4.09Å; R63-V104 HydrophobicContact CG-CG1 3.68Å
64	D	93.4	Very high	91	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	135.8	176	67.6	-66.3	0	0	0	111.7	H52 A66 V71 S72 M76 G77	H52-D64 IonicContact CD2-OD2 3Å; H52-D64 IonicContact CE1-OD2 2.76Å; H52-D64 IonicContact NE2-OD2 3.72Å; H52-D64 PolarHBondContact NE2-OD2 3.28Å; D64-A66 PolarHBondContact O-N 2.98Å; D64-V71 CarbonylContact O-C 3.57Å; D64-V71 WeakPolarHBondContact O-CA 3.45Å; D64-S72 PolarHBondContact N-O 2.89Å; D64-S72 PolarHBondContact O-N 2.97Å; D64-S72 WeakPolarHBondContact OD1-CB 3.27Å; D64-M76 WeakPolarHBondContact OD1-CA 3.26Å; D64-M76 VanDerWaalsContact OD2-CA 3.31Å; D64-M76 WeakPolarHBondContact OD2-CA 3.19Å; D64-G77 PolarHBondContact OD2-N 2.93Å
65	F	90.6	Very high	90.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	91.5	173.7	-177.9	-132	0	0	0	109.9	H52 G67 F70 V71 Y111 H116 H126	H52-F65 PolarHBondContact CE1-O 3.06Å; F65-G67 WeakPolarHBondContact CD2-O 3.34Å; F65-G67 WeakPolarHBondContact CE2-O 3.41Å; F65-F70 WeakPolarHBondContact CD2-O 3.22Å; F65-V71 HydrophobicContact CB-CG2 4.42Å; F65-V71 HydrophobicContact CD2-CG2 3.96Å; F65-Y111 HydrophobicContact CB-CD1 4.31Å; F65-Y111 AromaticContact CD1-CD1 3.48Å; F65-Y111 HydrophobicContact CD1-CD1 3.48Å; F65-Y111 VanDerWaalsContact CD1-CD1 3.48Å; F65-Y111 HydrophobicContact CD1-CE1 4.01Å; F65-Y111 HydrophobicContact CD2-CD1 4.08Å; F65-Y111 HydrophobicContact CD2-CG 4.5Å; F65-Y111 AromaticContact CE1-CD1 3.62Å; F65-Y111 HydrophobicContact CE1-CD1 3.62Å; F65-Y111 HydrophobicContact CE1-CE1 4.13Å; F65-Y111 HydrophobicContact CE2-CD1 4.2Å; F65-Y111 WeakPolarHBondContact CE2-O 3.38Å; F65-Y111 AromaticContact CG-CD1 3.72Å; F65-Y111 HydrophobicContact CG-CD1 3.72Å; F65-Y111 HydrophobicContact CG-CG 4.38Å; F65-Y111 AromaticContact CZ-CD1 3.98Å; F65-Y111 HydrophobicContact CZ-CD1 3.98Å; F65-H116 AromaticContact CD1-CD2 3.41Å; F65-H116 VanDerWaalsContact CD1-CD2 3.41Å; F65-H116 WeakPolarHBondContact CD1-CD2 3.47Å; F65-H116 HydrophobicContact CE1-CB 3.61Å; F65-H116 AromaticContact CE1-CD2 3.28Å; F65-H116 WeakPolarHBondContact CE1-CD2 3.35Å; F65-H116 AromaticContact CE1-CG 3.73Å; F65-H116 HydrophobicContact CE2-CB 4.45Å; F65-H116 HydrophobicContact CZ-CB 3.54Å; F65-H116 AromaticContact CZ-CD2 3.96Å; F65-H126 HydrophobicContact CB-CB 3.8Å
66	A	83.1	Confident	90	Very high	28 Å²	28	40.1 Å²	40.1	23%	0.231	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-7.2	-169.7	0	0	0	0	0	114	D64 F70	D64-A66 PolarHBondContact O-N 2.98Å; A66-F70 HydrophobicContact CB-CD1 3.85Å; A66-F70 HydrophobicContact CB-CE1 4Å; A66-F70 PolarHBondContact N-O 3.21Å
67	G	80.6	Confident	89.3	Confident	19 Å²	19	42.2 Å²	42.2	20%	0.196	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.3	174.1	177.2	0	0	0	0	0	111.8	F65 Y69 F70	F65-G67 WeakPolarHBondContact CD2-O 3.34Å; F65-G67 WeakPolarHBondContact CE2-O 3.41Å; G67-Y69 PolarHBondContact O-N 3.06Å; G67-F70 PolarHBondContact N-O 2.84Å; G67-F70 PolarHBondContact O-N 3.38Å
68	S	79.2	Confident	88.8	Confident	61 Å²	61	45.2 Å²	45.2	43%	0.427	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.8	127.1	-177.6	-61.1	0	0	0	0	110.6	F70 H116	S68-F70 PolarHBondContact O-N 3.16Å; S68-F70 VanDerWaalsContact O-N 3.13Å; S68-H116 WeakPolarHBondContact OG-CB 3.45Å; S68-H116 PolarHBondContact OG-N 2.82Å
69	Y	84.4	Confident	88.4	Confident	139 Å²	139	45.1 Å²	45.1	55%	0.545	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.2	15.4	179.7	-41.7	-72.3	0	0	0	115	G67 K112 C113 R114	G67-Y69 PolarHBondContact O-N 3.06Å; Y69-K112 WeakPolarHBondContact CA-O 3.36Å; Y69-K112 VanDerWaalsContact CB-O 3.27Å; Y69-K112 WeakPolarHBondContact CB-O 3.04Å; Y69-C113 WeakPolarHBondContact CE1-O 3.25Å; Y69-R114 PolarHBondContact N-O 3Å
70	F	85.1	Confident	88.3	Confident	112 Å²	112	49.7 Å²	49.7	49%	0.491	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	110.7	-173.8	-176.6	-110.3	0	0	0	112.2	F65 A66 G67 S68	F65-F70 WeakPolarHBondContact CD2-O 3.22Å; A66-F70 HydrophobicContact CB-CD1 3.85Å; A66-F70 HydrophobicContact CB-CE1 4Å; A66-F70 PolarHBondContact N-O 3.21Å; G67-F70 PolarHBondContact N-O 2.84Å; G67-F70 PolarHBondContact O-N 3.38Å; S68-F70 PolarHBondContact O-N 3.16Å; S68-F70 VanDerWaalsContact O-N 3.13Å
71	V	89.7	Confident	88.4	Confident	11 Å²	11	50.2 Å²	50.2	7%	0.067	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	117	167.5	-179.7	0	0	0	0	108.1	R63 D64 F65 S108 K112	R63-V71 HydrophobicContact CB-CG1 4.37Å; D64-V71 CarbonylContact O-C 3.57Å; D64-V71 WeakPolarHBondContact O-CA 3.45Å; F65-V71 HydrophobicContact CB-CG2 4.42Å; F65-V71 HydrophobicContact CD2-CG2 3.96Å; V71-S108 WeakPolarHBondContact CG2-O 3.48Å; V71-K112 HydrophobicContact CB-CG 4.3Å; V71-K112 HydrophobicContact CG2-CG 4.13Å
72	S	87.4	Confident	88.4	Confident	11 Å²	11	49.5 Å²	49.5	8%	0.077	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	157.6	179.6	-167.9	0	0	0	0	111.3	D64 N75	D64-S72 PolarHBondContact N-O 2.89Å; D64-S72 PolarHBondContact O-N 2.97Å; D64-S72 WeakPolarHBondContact OD1-CB 3.27Å; S72-N75 WeakPolarHBondContact CB-O 3.41Å; S72-N75 PolarHBondContact OG-O 3.2Å
73	E	91.4	Very high	88.4	Confident	104 Å²	104	49.5 Å²	49.5	49%	0.486	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	123.8	173.4	-167.6	175.8	125	0	0	108.9	V61 I62 R63 N75	V61-E73 HydrophobicContact CG1-CG 3.41Å; V61-E73 VanDerWaalsContact CG1-CG 3.41Å; I62-E73 WeakPolarHBondContact O-CA 3.31Å; R63-E73 IonicContact CZ-OE2 2.72Å; R63-E73 IonicContact NH1-OE2 3.96Å; R63-E73 PolarHBondContact NH1-OE2 2.73Å; R63-E73 IonicContact NH2-OE2 3.51Å; R63-E73 PolarHBondContact NH2-OE2 3.24Å; E73-N75 PolarHBondContact O-N 3.24Å
74	D	87.4	Confident	88.5	Confident	50 Å²	50	49 Å²	49	27%	0.267	26%	0.257	S	S	.	.	S	Bend	trans	59.7	-14.1	179.2	-76.3	-20.7	0	0	0	117.8	R30 V61 I62	R30-D74 IonicContact CZ-OD1 2.69Å; R30-D74 IonicContact CZ-OD2 3.27Å; R30-D74 VanDerWaalsContact CZ-OD2 3.25Å; R30-D74 IonicContact NH1-OD1 3.58Å; R30-D74 PolarHBondContact NH1-OD1 3.34Å; R30-D74 IonicContact NH1-OD2 3.25Å; R30-D74 PolarHBondContact NH1-OD2 3.33Å; R30-D74 IonicContact NH2-OD2 2.73Å; R30-D74 PolarHBondContact NH2-OD2 3.04Å; V61-D74 WeakPolarHBondContact CA-OD1 3.4Å; I62-D74 PolarHBondContact N-OD1 3.39Å; I62-D74 PolarHBondContact O-N 3.04Å
75	N	84.6	Confident	88.7	Confident	117 Å²	117	50.3 Å²	50.3	63%	0.626	26%	0.262	S	S	*	.	S	Bend	trans	-117.9	86.7	-179.6	-168.6	29.3	0	0	0	110.7	S72 E73	S72-N75 WeakPolarHBondContact CB-O 3.41Å; S72-N75 PolarHBondContact OG-O 3.2Å; E73-N75 PolarHBondContact O-N 3.24Å
76	M	87.1	Confident	89	Confident	4 Å²	4	56.1 Å²	56.1	2%	0.02	28%	0.284	C	S	.	.			trans	-58.2	143.5	-179.9	-67.5	-175.8	84.7	0	0	112.2	V36 T38 I62 D64 F78 G79 P81	V36-M76 HydrophobicContact CB-SD 4.29Å; V36-M76 HydrophobicContact CG2-CE 3.9Å; V36-M76 HydrophobicContact CG2-SD 3.75Å; T38-M76 HydrophobicContact CG2-CB 4.39Å; T38-M76 HydrophobicContact CG2-CE 3.81Å; T38-M76 HydrophobicContact CG2-SD 4.13Å; I62-M76 HydrophobicContact CD1-CG 4.48Å; I62-M76 HydrophobicContact CG2-CG 3.79Å; I62-M76 HydrophobicContact CG2-SD 4.38Å; D64-M76 WeakPolarHBondContact OD1-CA 3.26Å; D64-M76 VanDerWaalsContact OD2-CA 3.31Å; D64-M76 WeakPolarHBondContact OD2-CA 3.19Å; M76-F78 PolarHBondContact O-N 3.03Å; M76-G79 WeakPolarHBondContact CB-O 3.47Å; M76-G79 PolarHBondContact O-N 3.42Å; M76-P81 HydrophobicContact SD-CB 4.29Å; M76-P81 HydrophobicContact SD-CG 3.6Å
77	G	83.3	Confident	89.6	Confident	44 Å²	44	55.1 Å²	55.1	45%	0.454	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-26.8	-174.6	0	0	0	0	0	116.1	D64	D64-G77 PolarHBondContact OD2-N 2.93Å
78	F	87.1	Confident	90.3	Very high	80 Å²	80	57.9 Å²	57.9	35%	0.351	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	22.9	-179.5	-54.8	-85.1	0	0	0	113.2	T38 I40 P41 H52 M76	T38-F78 HydrophobicContact CG2-CB 3.94Å; I40-F78 HydrophobicContact CD1-CE2 4.3Å; I40-F78 HydrophobicContact CG1-CD1 4.45Å; I40-F78 HydrophobicContact CG1-CD2 3.95Å; I40-F78 HydrophobicContact CG1-CE1 4.41Å; I40-F78 HydrophobicContact CG1-CE2 3.9Å; I40-F78 HydrophobicContact CG1-CG 4.21Å; I40-F78 HydrophobicContact CG1-CZ 4.13Å; I40-F78 HydrophobicContact CG2-CD1 4.26Å; I40-F78 HydrophobicContact CG2-CE1 3.88Å; I40-F78 HydrophobicContact CG2-CZ 4.12Å; P41-F78 HydrophobicContact CG-CD1 4.47Å; H52-F78 HydrophobicContact CB-CD2 3.39Å; H52-F78 HydrophobicContact CB-CE2 3.82Å; H52-F78 HydrophobicContact CB-CG 4.41Å; H52-F78 AromaticContact CD2-CD2 3.77Å; H52-F78 AromaticContact CG-CD2 3.47Å; H52-F78 VanDerWaalsContact CG-CD2 3.47Å; H52-F78 AromaticContact CG-CE2 3.73Å; H52-F78 AromaticContact ND1-CE2 3.79Å; M76-F78 PolarHBondContact O-N 3.03Å
79	G	88.4	Confident	91	Very high	27 Å²	27	56.4 Å²	56.4	28%	0.278	27%	0.273	S	S	.	.	S	Bend	trans	87	-178.4	-179.9	0	0	0	0	0	113.5	T38 M76	T38-G79 PolarHBondContact OG1-O 3.4Å; M76-G79 WeakPolarHBondContact CB-O 3.47Å; M76-G79 PolarHBondContact O-N 3.42Å
80	R	91.9	Very high	91.5	Very high	168 Å²	168	54.3 Å²	54.3	63%	0.634	27%	0.271	S	S	*	.	S	Bend	trans	-51.8	144.6	-169.3	-63.9	177.5	68	154.3	1.5	113.2	C29 T38 T82	C29-R80 PolarHBondContact SG-NH2 3.15Å; T38-R80 PolarHBondContact OG1-O 2.69Å; R80-T82 PolarHBondContact O-N 3.44Å
81	P	94.8	Very high	91.9	Very high	11 Å²	11	52.8 Å²	52.8	7%	0.071	26%	0.264	C	S	.	.			trans	-49.1	136	172.8	-25.5	30	0	0	0	112.4	Y31 V36 W37 I62 M76 V158	Y31-P81 HydrophobicContact CD2-CG 4.48Å; Y31-P81 HydrophobicContact CE2-CB 4.37Å; Y31-P81 HydrophobicContact CE2-CG 3.87Å; V36-P81 HydrophobicContact CB-CB 3.98Å; V36-P81 HydrophobicContact CB-CG 3.89Å; V36-P81 HydrophobicContact CG1-CB 4.19Å; V36-P81 HydrophobicContact CG1-CG 4.03Å; V36-P81 HydrophobicContact CG2-CG 4.31Å; W37-P81 CarbonylContact O-C 3.52Å; W37-P81 WeakPolarHBondContact O-CA 3.4Å; I62-P81 HydrophobicContact CD1-CG 3.72Å; M76-P81 HydrophobicContact SD-CB 4.29Å; M76-P81 HydrophobicContact SD-CG 3.6Å; P81-V158 WeakPolarHBondContact O-CG2 3.41Å
82	T	95.3	Very high	92.2	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.018	26%	0.262	C	S	.	.	S	Bend	trans	-102.1	-23.8	168.3	62	0	0	0	0	111.9	W37 P39 R80 H157 V158 A162 K165 T166	W37-T82 VanDerWaalsContact CE3-OG1 3.28Å; W37-T82 VanDerWaalsContact CZ3-OG1 3.31Å; W37-T82 WeakPolarHBondContact CZ3-OG1 3.4Å; W37-T82 PolarHBondContact O-N 3.34Å; W37-T82 PolarHBondContact O-OG1 2.82Å; P39-T82 WeakPolarHBondContact CD-OG1 3.41Å; P39-T82 HydrophobicContact CG-CG2 4.19Å; R80-T82 PolarHBondContact O-N 3.44Å; T82-H157 VanDerWaalsContact O-CA 3.3Å; T82-H157 WeakPolarHBondContact O-CA 3.31Å; T82-V158 PolarHBondContact O-N 3.1Å; T82-A162 HydrophobicContact CG2-CB 4.18Å; T82-A162 WeakPolarHBondContact O-CB 3.18Å; T82-K165 HydrophobicContact CG2-CD 3.91Å; T82-K165 HydrophobicContact CG2-CG 4.38Å; T82-T166 PolarHBondContact OG1-OG1 3.09Å
83	K	95.9	Very high	92.3	Very high	5 Å²	5	54.1 Å²	54.1	2%	0.022	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	155.2	174	-64.8	-178.4	-67.4	179	0	111.5	W37 K156	W37-K83 HydrophobicContact CB-CB 4.23Å; W37-K83 VanDerWaalsContact CD2-CE 3.42Å; W37-K83 HydrophobicContact CE3-CB 4.44Å; W37-K83 HydrophobicContact CE3-CD 4.34Å; W37-K83 HydrophobicContact CE3-CG 4.35Å; W37-K83 PolarHBondContact N-O 3.2Å; W37-K83 PolarHBondContact O-N 3.18Å; W37-K83 VanDerWaalsContact O-N 3.09Å; K83-K156 CarbonylContact C-O 3.5Å; K83-K156 WeakPolarHBondContact CA-O 3.27Å
84	Y	96.9	Very high	91.9	Very high	35 Å²	35	52.3 Å²	52.3	14%	0.137	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	148.6	170.4	67.2	-79.8	0	0	0	110.2	Y31 I35 G155 K156 V158	Y31-Y84 HydrophobicContact CD1-CG 4.18Å; Y31-Y84 HydrophobicContact CE1-CD1 4.35Å; Y31-Y84 HydrophobicContact CE1-CG 4.45Å; I35-Y84 CarbonylContact O-C 3.58Å; I35-Y84 VanDerWaalsContact O-CA 3.27Å; I35-Y84 WeakPolarHBondContact O-CA 3.38Å; Y84-G155 WeakPolarHBondContact O-CA 3.36Å; Y84-K156 HydrophobicContact CD1-CB 4.47Å; Y84-K156 WeakPolarHBondContact CD1-O 3.45Å; Y84-K156 HydrophobicContact CE1-CB 3.94Å; Y84-K156 HydrophobicContact CE2-CB 4.33Å; Y84-K156 PolarHBondContact N-O 3.43Å; Y84-K156 PolarHBondContact O-N 3.23Å; Y84-V158 HydrophobicContact CD1-CG1 3.67Å; Y84-V158 HydrophobicContact CE1-CG1 4.22Å
85	W	97.6	Very high	91.5	Very high	28 Å²	28	54.9 Å²	54.9	11%	0.106	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	107.5	172.5	172.5	25.9	0	0	0	107.7	C34 I35 L87 W142 L147 L150 H154	C34-W85 CarbonylContact C-O 3.41Å; C34-W85 VanDerWaalsContact CA-O 3.3Å; C34-W85 WeakPolarHBondContact CA-O 3.36Å; I35-W85 HydrophobicContact CB-CB 4.47Å; I35-W85 HydrophobicContact CB-CE3 4.44Å; I35-W85 HydrophobicContact CD1-CE3 3.8Å; I35-W85 HydrophobicContact CD1-CZ3 3.88Å; I35-W85 PolarHBondContact N-O 3.1Å; I35-W85 PolarHBondContact O-N 3.44Å; W85-L87 HydrophobicContact CD2-CD2 3.85Å; W85-L87 HydrophobicContact CE3-CD2 4.22Å; W85-L87 HydrophobicContact CG-CD2 4.5Å; W85-L87 HydrophobicContact CH2-CD2 3.78Å; W85-L87 HydrophobicContact CZ2-CD2 3.38Å; W85-L87 HydrophobicContact CZ3-CD2 4.19Å; W85-W142 HydrophobicContact CH2-CH2 4.49Å; W85-W142 HydrophobicContact CH2-CZ3 4.38Å; W85-L147 HydrophobicContact CZ3-CD2 4.34Å; W85-L150 HydrophobicContact CH2-CB 3.47Å; W85-L150 VanDerWaalsContact CH2-CB 3.47Å; W85-L150 HydrophobicContact CH2-CD1 4.05Å; W85-L150 HydrophobicContact CH2-CG 4.33Å; W85-L150 HydrophobicContact CZ2-CB 4.21Å; W85-L150 HydrophobicContact CZ3-CB 3.65Å; W85-H154 VanDerWaalsContact CD1-CB 3.48Å; W85-H154 HydrophobicContact CD2-CB 4.06Å; W85-H154 HydrophobicContact CG-CB 3.89Å; W85-H154 AromaticContact NE1-CG 3.94Å
86	R	97.1	Very high	91.8	Very high	122 Å²	122	50.6 Å²	50.6	46%	0.46	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	125.2	177.3	-170.9	176.9	-180	-156.4	-2.4	109.4
87	L	96.3	Very high	92.1	Very high	7 Å²	7	52 Å²	52	4%	0.037	29%	0.293	C	S	.	.			trans	-94.6	156.2	175.5	-67	179.4	0	0	0	110.3	Y33 I35 W85 W100 L131 Y136	Y33-L87 WeakPolarHBondContact O-CB 3.34Å; Y33-L87 PolarHBondContact O-N 3.18Å; I35-L87 HydrophobicContact CD1-CD1 3.63Å; I35-L87 HydrophobicContact CD1-CG 4.37Å; I35-L87 HydrophobicContact CG1-CD1 3.85Å; I35-L87 HydrophobicContact CG1-CG 4.48Å; W85-L87 HydrophobicContact CD2-CD2 3.85Å; W85-L87 HydrophobicContact CE3-CD2 4.22Å; W85-L87 HydrophobicContact CG-CD2 4.5Å; W85-L87 HydrophobicContact CH2-CD2 3.78Å; W85-L87 HydrophobicContact CZ2-CD2 3.38Å; W85-L87 HydrophobicContact CZ3-CD2 4.19Å; L87-W100 HydrophobicContact CB-CH2 3.81Å; L87-W100 HydrophobicContact CB-CZ3 4.14Å; L87-W100 HydrophobicContact CD1-CH2 3.63Å; L87-W100 HydrophobicContact CD1-CZ3 4.23Å; L87-W100 HydrophobicContact CG-CH2 4.28Å; L87-L131 HydrophobicContact CD1-CD2 3.72Å; L87-Y136 HydrophobicContact CB-CE2 3.89Å; L87-Y136 WeakPolarHBondContact CB-OH 3.42Å; L87-Y136 HydrophobicContact CD1-CE2 4.41Å; L87-Y136 HydrophobicContact CD2-CE1 4.13Å; L87-Y136 WeakPolarHBondContact CD2-OH 3.39Å
88	D	95.3	Very high	92.7	Very high	77 Å²	77	53.7 Å²	53.7	41%	0.412	30%	0.302	S	S	.	.			trans	-90.8	110.3	180	-179	1.7	0	0	0	109.4	D90 K91 Y136	D88-D90 PolarHBondContact O-N 2.77Å; D88-D90 WeakPolarHBondContact OD1-CB 3.44Å; D88-D90 PolarHBondContact OD1-N 2.83Å; D88-K91 HydrophobicContact CB-CD 4.18Å; D88-K91 HydrophobicContact CB-CG 4.1Å; D88-K91 WeakPolarHBondContact O-CB 3.45Å; D88-K91 PolarHBondContact O-N 2.9Å; D88-Y136 PolarHBondContact N-OH 2.96Å; D88-Y136 WeakPolarHBondContact O-CE2 3.29Å
89	V	94.1	Very high	93.1	Very high	29 Å²	29	52.4 Å²	52.4	18%	0.176	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-62.7	-22.7	-176.9	70.6	0	0	0	0	112.6	Y33 K91 V92	Y33-V89 HydrophobicContact CD1-CB 4.1Å; Y33-V89 HydrophobicContact CD1-CG2 3.95Å; Y33-V89 HydrophobicContact CE1-CB 4.16Å; Y33-V89 HydrophobicContact CE1-CG2 3.67Å; Y33-V89 HydrophobicContact CG-CB 4.43Å; V89-K91 PolarHBondContact O-N 3.09Å; V89-V92 HydrophobicContact CG2-CG2 4.47Å; V89-V92 WeakPolarHBondContact O-CB 3.39Å; V89-V92 WeakPolarHBondContact O-CG2 3.25Å; V89-V92 PolarHBondContact O-N 2.98Å; V89-V92 VanDerWaalsContact O-N 3.15Å
90	D	93.9	Very high	93.6	Very high	95 Å²	95	51.1 Å²	51.1	51%	0.508	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-71.1	-12.3	178.3	-66.8	-23.9	0	0	0	112.3	D88 V92	D88-D90 PolarHBondContact O-N 2.77Å; D88-D90 WeakPolarHBondContact OD1-CB 3.44Å; D88-D90 PolarHBondContact OD1-N 2.83Å; D90-V92 VanDerWaalsContact C-N 3.33Å
91	K	94.9	Very high	93.8	Very high	80 Å²	80	45.3 Å²	45.3	35%	0.348	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-84.5	-2.5	173.4	-63.2	-172.7	165.8	-148.5	0	114.1	D88 V89 Y136 D137	D88-K91 HydrophobicContact CB-CD 4.18Å; D88-K91 HydrophobicContact CB-CG 4.1Å; D88-K91 WeakPolarHBondContact O-CB 3.45Å; D88-K91 PolarHBondContact O-N 2.9Å; V89-K91 PolarHBondContact O-N 3.09Å; K91-Y136 HydrophobicContact CB-CD2 4.15Å; K91-Y136 HydrophobicContact CB-CE1 4.38Å; K91-Y136 HydrophobicContact CB-CE2 3.77Å; K91-Y136 HydrophobicContact CD-CE1 4.19Å; K91-D137 HydrophobicContact CD-CB 4.29Å; K91-D137 IonicContact NZ-OD1 2.82Å; K91-D137 PolarHBondContact NZ-OD1 3.08Å; K91-D137 IonicContact NZ-OD2 2.84Å; K91-D137 PolarHBondContact NZ-OD2 2.94Å; K91-D137 PolarHBondContact O-N 3.47Å
92	V	94.9	Very high	94	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.012	29%	0.289	C	S	.	.	S	Bend	trans	-75.5	131.1	175.7	173.8	0	0	0	0	110	V89 D90 G94 N95 T99 W100 M134 Y136	V89-V92 HydrophobicContact CG2-CG2 4.47Å; V89-V92 WeakPolarHBondContact O-CB 3.39Å; V89-V92 WeakPolarHBondContact O-CG2 3.25Å; V89-V92 PolarHBondContact O-N 2.98Å; V89-V92 VanDerWaalsContact O-N 3.15Å; D90-V92 VanDerWaalsContact C-N 3.33Å; V92-G94 PolarHBondContact O-N 2.96Å; V92-N95 WeakPolarHBondContact O-CA 3.12Å; V92-N95 PolarHBondContact O-N 3.19Å; V92-N95 PolarHBondContact O-OD1 3.39Å; V92-N95 VanDerWaalsContact O-OD1 3.12Å; V92-T99 HydrophobicContact CG1-CG2 3.61Å; V92-W100 HydrophobicContact CG2-CE3 3.68Å; V92-W100 HydrophobicContact CG2-CZ3 4.35Å; V92-M134 HydrophobicContact CG1-CB 4.02Å; V92-M134 HydrophobicContact CG2-SD 4.04Å; V92-Y136 HydrophobicContact CG2-CD2 4.18Å
93	C	89.4	Confident	94.1	Very high	48 Å²	48	49.7 Å²	49.7	32%	0.324	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	123.1	175.7	-177.9	0	0	0	0	110.5	N95 M134 R135	C93-N95 VanDerWaalsContact C-N 3.32Å; C93-M134 PolarHBondContact N-O 3.17Å; C93-M134 VanDerWaalsContact N-O 3.14Å; C93-R135 HydrophobicContact CB-CB 3.64Å; C93-R135 HydrophobicContact CB-CG 4.48Å
94	G	83.1	Confident	94.2	Very high	66 Å²	66	49.5 Å²	49.5	68%	0.68	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.6	-4.1	-175	0	0	0	0	0	114.2	V92	V92-G94 PolarHBondContact O-N 2.96Å
95	N	80.5	Confident	94.2	Very high	105 Å²	105	51.8 Å²	51.8	56%	0.561	30%	0.3	S	S	*	.			trans	58.9	147.4	175.1	-59.2	0.8	0	0	0	115.4	V92 C93	V92-N95 WeakPolarHBondContact O-CA 3.12Å; V92-N95 PolarHBondContact O-N 3.19Å; V92-N95 PolarHBondContact O-OD1 3.39Å; V92-N95 VanDerWaalsContact O-OD1 3.12Å; C93-N95 VanDerWaalsContact C-N 3.32Å
96	G	89.4	Confident	94.2	Very high	27 Å²	27	53.7 Å²	53.7	28%	0.278	31%	0.312	S	S	.	.	S	Bend	trans	96	170.4	160.7	0	0	0	0	0	116.9	A98 W100	G96-A98 PolarHBondContact O-N 2.83Å; G96-W100 PolarHBondContact O-N 3.26Å
97	A	94.7	Very high	94.2	Very high	34 Å²	34	47.9 Å²	47.9	28%	0.281	29%	0.291	S	S	.	.	H	α-helix	trans	-63.4	-35.7	-170.3	0	0	0	0	0	114	Y33 W100 D101	Y33-A97 HydrophobicContact CE1-CB 4.38Å; Y33-A97 WeakPolarHBondContact OH-CB 3Å; A97-W100 WeakPolarHBondContact O-CB 3.35Å; A97-W100 PolarHBondContact O-N 3.22Å; A97-D101 WeakPolarHBondContact O-CB 3.4Å; A97-D101 PolarHBondContact O-N 3.42Å
98	A	95.4	Very high	94.1	Very high	79 Å²	79	47.5 Å²	47.5	65%	0.653	29%	0.289	S	S	*	.	H	α-helix	trans	-65.7	-46.2	-176.8	0	0	0	0	0	112	G96 W100 D101 Q102	G96-A98 PolarHBondContact O-N 2.83Å; A98-W100 VanDerWaalsContact C-N 3.32Å; A98-W100 PolarHBondContact O-N 3.28Å; A98-D101 PolarHBondContact O-N 3.18Å; A98-Q102 VanDerWaalsContact O-CB 3.31Å; A98-Q102 WeakPolarHBondContact O-CB 3.45Å; A98-Q102 PolarHBondContact O-N 3Å
99	T	96.1	Very high	94	Very high	53 Å²	53	47.5 Å²	47.5	33%	0.325	29%	0.286	S	S	.	.	H	α-helix	trans	-63.7	-40.4	177	-51.5	0	0	0	0	111.3	V92 A103	V92-T99 HydrophobicContact CG1-CG2 3.61Å; T99-A103 WeakPolarHBondContact O-CB 2.89Å; T99-A103 PolarHBondContact O-N 3.38Å; T99-A103 VanDerWaalsContact O-N 3.08Å
100	W	97.6	Very high	94	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-59.1	-54.1	174.1	177.5	-79.6	0	0	0	111.8	Y33 I55 C56 L87 V92 G96 A97 A98 Q102 A103 V104 M134 Y136	Y33-W100 AromaticContact CD1-CD2 3.92Å; Y33-W100 HydrophobicContact CD1-CD2 3.92Å; Y33-W100 HydrophobicContact CD1-CE3 4.44Å; Y33-W100 AromaticContact CD1-CG 4Å; Y33-W100 HydrophobicContact CD1-CG 4Å; Y33-W100 HydrophobicContact CE1-CG 4.27Å; I55-W100 HydrophobicContact CD1-CH2 4.26Å; I55-W100 HydrophobicContact CD1-CZ2 3.89Å; I55-W100 HydrophobicContact CG1-CZ2 3.94Å; C56-W100 PolarHBondContact O-NE1 2.86Å; L87-W100 HydrophobicContact CB-CH2 3.81Å; L87-W100 HydrophobicContact CB-CZ3 4.14Å; L87-W100 HydrophobicContact CD1-CH2 3.63Å; L87-W100 HydrophobicContact CD1-CZ3 4.23Å; L87-W100 HydrophobicContact CG-CH2 4.28Å; V92-W100 HydrophobicContact CG2-CE3 3.68Å; V92-W100 HydrophobicContact CG2-CZ3 4.35Å; G96-W100 PolarHBondContact O-N 3.26Å; A97-W100 WeakPolarHBondContact O-CB 3.35Å; A97-W100 PolarHBondContact O-N 3.22Å; A98-W100 VanDerWaalsContact C-N 3.32Å; A98-W100 PolarHBondContact O-N 3.28Å; W100-Q102 VanDerWaalsContact C-N 3.35Å; W100-Q102 PolarHBondContact O-N 3.07Å; W100-A103 PolarHBondContact O-N 2.73Å; W100-V104 WeakPolarHBondContact O-CG2 3.38Å; W100-V104 PolarHBondContact O-N 3.47Å; W100-M134 HydrophobicContact CD2-CE 3.84Å; W100-M134 HydrophobicContact CD2-SD 4.03Å; W100-M134 HydrophobicContact CE3-CE 3.8Å; W100-M134 HydrophobicContact CE3-SD 3.34Å; W100-M134 HydrophobicContact CG-CE 4.26Å; W100-M134 HydrophobicContact CH2-SD 4.39Å; W100-M134 HydrophobicContact CZ3-CE 4.23Å; W100-M134 HydrophobicContact CZ3-SD 3.56Å; W100-M134 VanDerWaalsContact CZ3-SD 3.56Å; W100-Y136 HydrophobicContact CZ3-CD2 4.03Å; W100-Y136 HydrophobicContact CZ3-CE2 4.09Å
101	D	97.4	Very high	93.8	Very high	46 Å²	46	46.1 Å²	46.1	25%	0.246	28%	0.275	C	S	.	.	H	α-helix	trans	-65.4	-38.6	-176.3	-74.5	-20.2	0	0	0	112.3	T57 S58 A97 A98 V104 H105	T57-D101 VanDerWaalsContact CA-OD1 3.3Å; T57-D101 WeakPolarHBondContact CA-OD1 3.36Å; T57-D101 VanDerWaalsContact CB-OD1 3.27Å; T57-D101 WeakPolarHBondContact CB-OD1 3.43Å; S58-D101 WeakPolarHBondContact CB-OD1 3.32Å; S58-D101 WeakPolarHBondContact CB-OD2 3.31Å; S58-D101 PolarHBondContact N-OD1 2.92Å; S58-D101 PolarHBondContact OG-OD1 2.88Å; S58-D101 PolarHBondContact OG-OD2 2.73Å; A97-D101 WeakPolarHBondContact O-CB 3.4Å; A97-D101 PolarHBondContact O-N 3.42Å; A98-D101 PolarHBondContact O-N 3.18Å; D101-V104 PolarHBondContact O-N 3.07Å; D101-H105 WeakPolarHBondContact O-CB 3.3Å; D101-H105 PolarHBondContact O-N 2.99Å
102	Q	97.3	Very high	93.5	Very high	102 Å²	102	46 Å²	46	48%	0.477	27%	0.274	S	S	.	.	H	α-helix	trans	-61.8	-47.4	175.4	-172.7	63.3	51.4	0	0	110.9	A98 W100 V104 H105 D106	A98-Q102 VanDerWaalsContact O-CB 3.31Å; A98-Q102 WeakPolarHBondContact O-CB 3.45Å; A98-Q102 PolarHBondContact O-N 3Å; W100-Q102 VanDerWaalsContact C-N 3.35Å; W100-Q102 PolarHBondContact O-N 3.07Å; Q102-V104 VanDerWaalsContact C-N 3.35Å; Q102-V104 PolarHBondContact O-N 3.34Å; Q102-H105 WeakPolarHBondContact O-CB 3.3Å; Q102-H105 PolarHBondContact O-N 2.92Å; Q102-H105 VanDerWaalsContact O-N 3.16Å; Q102-D106 PolarHBondContact NE2-OD1 3.35Å; Q102-D106 PolarHBondContact NE2-OD2 3.06Å; Q102-D106 WeakPolarHBondContact O-CB 3.47Å; Q102-D106 PolarHBondContact O-N 3.23Å
103	A	97.9	Very high	92.9	Very high	4 Å²	4	50.6 Å²	50.6	3%	0.033	31%	0.305	C	S	.	.	H	α-helix	trans	-65.3	-36.6	178.8	0	0	0	0	0	112.9	T99 W100 A107 L133 M134	T99-A103 WeakPolarHBondContact O-CB 2.89Å; T99-A103 PolarHBondContact O-N 3.38Å; T99-A103 VanDerWaalsContact O-N 3.08Å; W100-A103 PolarHBondContact O-N 2.73Å; A103-A107 VanDerWaalsContact O-CB 3.23Å; A103-A107 WeakPolarHBondContact O-CB 3.49Å; A103-A107 PolarHBondContact O-N 2.95Å; A103-L133 HydrophobicContact CB-CB 3.83Å; A103-M134 HydrophobicContact CB-CB 3.63Å; A103-M134 HydrophobicContact CB-CE 3.84Å; A103-M134 HydrophobicContact CB-CG 4.48Å
104	V	97.9	Very high	92.5	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	30%	0.304	C	S	.	.	H	α-helix	trans	-62.9	-45.1	171.6	171	0	0	0	0	110.6	I55 T57 R63 W100 D101 Q102 A107 S108 A130 M134	I55-V104 HydrophobicContact CD1-CG2 3.93Å; I55-V104 HydrophobicContact CG1-CG2 4.02Å; I55-V104 HydrophobicContact CG2-CG1 4Å; I55-V104 HydrophobicContact CG2-CG2 4.04Å; T57-V104 HydrophobicContact CG2-CG1 4.31Å; R63-V104 HydrophobicContact CB-CG1 4.09Å; R63-V104 HydrophobicContact CG-CG1 3.68Å; W100-V104 WeakPolarHBondContact O-CG2 3.38Å; W100-V104 PolarHBondContact O-N 3.47Å; D101-V104 PolarHBondContact O-N 3.07Å; Q102-V104 VanDerWaalsContact C-N 3.35Å; Q102-V104 PolarHBondContact O-N 3.34Å; V104-A107 PolarHBondContact O-N 3.44Å; V104-S108 PolarHBondContact O-N 2.98Å; V104-S108 PolarHBondContact O-OG 2.84Å; V104-S108 VanDerWaalsContact O-OG 3.13Å; V104-A130 HydrophobicContact CG2-CB 4.46Å; V104-M134 HydrophobicContact CG2-CE 4.23Å
105	H	97.4	Very high	92.1	Very high	82 Å²	82	52 Å²	52	38%	0.38	29%	0.291	S	S	.	.	H	α-helix	trans	-62.8	-51.6	178.8	177.4	63.7	0	0	0	112.2	D101 Q102 A107 S108 E109	D101-H105 WeakPolarHBondContact O-CB 3.3Å; D101-H105 PolarHBondContact O-N 2.99Å; Q102-H105 WeakPolarHBondContact O-CB 3.3Å; Q102-H105 PolarHBondContact O-N 2.92Å; Q102-H105 VanDerWaalsContact O-N 3.16Å; H105-A107 VanDerWaalsContact C-N 3.26Å; H105-A107 PolarHBondContact O-N 3.3Å; H105-S108 CarbonylContact O-C 3.56Å; H105-S108 WeakPolarHBondContact O-CA 3.23Å; H105-S108 WeakPolarHBondContact O-CB 3.29Å; H105-S108 PolarHBondContact O-N 3.45Å; H105-E109 IonicContact CE1-OE1 2.65Å; H105-E109 IonicContact ND1-OE1 3.63Å; H105-E109 PolarHBondContact O-N 2.91Å
106	D	97.4	Very high	91.5	Very high	68 Å²	68	49.2 Å²	49.2	36%	0.364	28%	0.275	S	S	.	.	H	α-helix	trans	-59.5	-40.5	179.3	-67.5	-15.9	0	0	0	110.9	Q102 S108 E109 E110 L133	Q102-D106 PolarHBondContact NE2-OD1 3.35Å; Q102-D106 PolarHBondContact NE2-OD2 3.06Å; Q102-D106 WeakPolarHBondContact O-CB 3.47Å; Q102-D106 PolarHBondContact O-N 3.23Å; D106-S108 VanDerWaalsContact C-N 3.33Å; D106-S108 PolarHBondContact O-N 3.22Å; D106-E109 PolarHBondContact O-N 2.9Å; D106-E110 WeakPolarHBondContact O-CB 3.29Å; D106-E110 PolarHBondContact O-N 2.56Å; D106-L133 HydrophobicContact CB-CD1 3.91Å
107	A	96.6	Very high	90.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.9	-41.9	173.9	0	0	0	0	0	112.4	A103 V104 H105 Y111 H126 M129 A130 L133	A103-A107 VanDerWaalsContact O-CB 3.23Å; A103-A107 WeakPolarHBondContact O-CB 3.49Å; A103-A107 PolarHBondContact O-N 2.95Å; V104-A107 PolarHBondContact O-N 3.44Å; H105-A107 VanDerWaalsContact C-N 3.26Å; H105-A107 PolarHBondContact O-N 3.3Å; A107-Y111 VanDerWaalsContact O-CD2 3.31Å; A107-Y111 WeakPolarHBondContact O-CD2 3.19Å; A107-Y111 PolarHBondContact O-N 2.8Å; A107-Y111 VanDerWaalsContact O-N 3.14Å; A107-H126 PolarHBondContact O-CD2 2.91Å; A107-M129 VanDerWaalsContact CA-CE 3.42Å; A107-M129 HydrophobicContact CB-CB 4.5Å; A107-M129 HydrophobicContact CB-CE 3.89Å; A107-M129 WeakPolarHBondContact O-CE 3.47Å; A107-A130 HydrophobicContact CB-CB 3.72Å; A107-L133 HydrophobicContact CB-CD1 4.15Å
108	S	95.3	Very high	89	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-42.9	175.7	-68.8	0	0	0	0	112.9	V71 V104 H105 D106 Y111 K112 H126	V71-S108 WeakPolarHBondContact CG2-O 3.48Å; V104-S108 PolarHBondContact O-N 2.98Å; V104-S108 PolarHBondContact O-OG 2.84Å; V104-S108 VanDerWaalsContact O-OG 3.13Å; H105-S108 CarbonylContact O-C 3.56Å; H105-S108 WeakPolarHBondContact O-CA 3.23Å; H105-S108 WeakPolarHBondContact O-CB 3.29Å; H105-S108 PolarHBondContact O-N 3.45Å; D106-S108 VanDerWaalsContact C-N 3.33Å; D106-S108 PolarHBondContact O-N 3.22Å; S108-Y111 PolarHBondContact O-N 2.91Å; S108-K112 WeakPolarHBondContact O-CG 3.24Å; S108-K112 PolarHBondContact O-N 3.06Å; S108-H126 PolarHBondContact N-NE2 3.21Å; S108-H126 PolarHBondContact OG-NE2 2.85Å
109	E	93.8	Very high	87	Confident	77 Å²	77	57.3 Å²	57.3	36%	0.36	30%	0.302	S	S	.	.	H	α-helix	trans	-64.4	-43.1	178.9	-67.2	-50.1	115.4	0	0	112.1	H105 D106 Y111 K112	H105-E109 IonicContact CE1-OE1 2.65Å; H105-E109 IonicContact ND1-OE1 3.63Å; H105-E109 PolarHBondContact O-N 2.91Å; D106-E109 PolarHBondContact O-N 2.9Å; E109-Y111 PolarHBondContact O-N 2.85Å; E109-K112 WeakPolarHBondContact O-CB 3.49Å; E109-K112 PolarHBondContact O-N 3.23Å; E109-K112 WeakPolarHBondContact OE1-CE 3.46Å; E109-K112 IonicContact OE1-NZ 3.78Å; E109-K112 PolarHBondContact OE1-NZ 2.81Å; E109-K112 IonicContact OE2-NZ 2.92Å
110	E	92.8	Very high	85	Confident	87 Å²	87	62.5 Å²	62.5	41%	0.407	33%	0.325	S	S	.	.	H	α-helix	trans	-62	-42.2	176.4	175.2	69.3	-164.2	0	0	111.6	D106 K112 C113 R114 M129	D106-E110 WeakPolarHBondContact O-CB 3.29Å; D106-E110 PolarHBondContact O-N 2.56Å; E110-K112 VanDerWaalsContact C-N 3.34Å; E110-K112 PolarHBondContact O-N 3.07Å; E110-C113 WeakPolarHBondContact O-CB 3.25Å; E110-C113 PolarHBondContact O-N 3.17Å; E110-C113 VanDerWaalsContact O-N 3.11Å; E110-R114 IonicContact OE1-CZ 3.29Å; E110-R114 VanDerWaalsContact OE1-CZ 3.29Å; E110-R114 IonicContact OE1-NE 3.25Å; E110-R114 PolarHBondContact OE1-NE 2.97Å; E110-R114 IonicContact OE1-NH2 2.71Å; E110-R114 PolarHBondContact OE1-NH2 3.25Å; E110-M129 HydrophobicContact CB-CE 3.38Å; E110-M129 HydrophobicContact CG-CE 3.32Å; E110-M129 HydrophobicContact CG-SD 3.89Å
111	Y	89.6	Confident	83.5	Confident	8 Å²	8	63.8 Å²	63.8	3%	0.031	33%	0.332	C	S	.	.	H	α-helix	trans	-74.6	-19.1	179.1	-87	-100.5	0	0	0	114.2	F65 A107 S108 E109 C113 R114 D121 S125 H126 M129	F65-Y111 HydrophobicContact CB-CD1 4.31Å; F65-Y111 AromaticContact CD1-CD1 3.48Å; F65-Y111 HydrophobicContact CD1-CD1 3.48Å; F65-Y111 VanDerWaalsContact CD1-CD1 3.48Å; F65-Y111 HydrophobicContact CD1-CE1 4.01Å; F65-Y111 HydrophobicContact CD2-CD1 4.08Å; F65-Y111 HydrophobicContact CD2-CG 4.5Å; F65-Y111 AromaticContact CE1-CD1 3.62Å; F65-Y111 HydrophobicContact CE1-CD1 3.62Å; F65-Y111 HydrophobicContact CE1-CE1 4.13Å; F65-Y111 HydrophobicContact CE2-CD1 4.2Å; F65-Y111 WeakPolarHBondContact CE2-O 3.38Å; F65-Y111 AromaticContact CG-CD1 3.72Å; F65-Y111 HydrophobicContact CG-CD1 3.72Å; F65-Y111 HydrophobicContact CG-CG 4.38Å; F65-Y111 AromaticContact CZ-CD1 3.98Å; F65-Y111 HydrophobicContact CZ-CD1 3.98Å; A107-Y111 VanDerWaalsContact O-CD2 3.31Å; A107-Y111 WeakPolarHBondContact O-CD2 3.19Å; A107-Y111 PolarHBondContact O-N 2.8Å; A107-Y111 VanDerWaalsContact O-N 3.14Å; S108-Y111 PolarHBondContact O-N 2.91Å; E109-Y111 PolarHBondContact O-N 2.85Å; Y111-C113 PolarHBondContact O-N 3.5Å; Y111-R114 PolarHBondContact O-N 2.91Å; Y111-D121 WeakPolarHBondContact CE1-OD1 3.46Å; Y111-D121 PolarHBondContact OH-OD1 3.49Å; Y111-D121 VanDerWaalsContact OH-OD1 3.11Å; Y111-S125 WeakPolarHBondContact OH-CB 3.27Å; Y111-S125 PolarHBondContact OH-O 2.96Å; Y111-S125 VanDerWaalsContact OH-O 3.09Å; Y111-H126 HydrophobicContact CD1-CB 3.81Å; Y111-H126 HydrophobicContact CD2-CB 4.02Å; Y111-H126 AromaticContact CD2-CD2 3.66Å; Y111-H126 HydrophobicContact CE1-CB 3.84Å; Y111-H126 HydrophobicContact CE2-CB 4.08Å; Y111-H126 HydrophobicContact CG-CB 3.88Å; Y111-H126 AromaticContact CG-CD2 3.76Å; Y111-H126 VanDerWaalsContact CZ-CA 3.46Å; Y111-H126 VanDerWaalsContact CZ-N 3.33Å; Y111-H126 PolarHBondContact OH-N 3.38Å; Y111-M129 HydrophobicContact CD2-CE 3.37Å; Y111-M129 HydrophobicContact CD2-SD 4.36Å; Y111-M129 HydrophobicContact CE2-CB 4.07Å; Y111-M129 HydrophobicContact CE2-CE 3.32Å; Y111-M129 HydrophobicContact CE2-SD 3.73Å
112	K	88.3	Confident	82.8	Confident	76 Å²	76	62.5 Å²	62.5	33%	0.33	33%	0.325	S	S	.	.	H	α-helix	trans	-64.6	-18.9	167.3	-73.7	171.4	-176.4	175.7	0	112.5	Y69 V71 S108 E109 E110	Y69-K112 WeakPolarHBondContact CA-O 3.36Å; Y69-K112 VanDerWaalsContact CB-O 3.27Å; Y69-K112 WeakPolarHBondContact CB-O 3.04Å; V71-K112 HydrophobicContact CB-CG 4.3Å; V71-K112 HydrophobicContact CG2-CG 4.13Å; S108-K112 WeakPolarHBondContact O-CG 3.24Å; S108-K112 PolarHBondContact O-N 3.06Å; E109-K112 WeakPolarHBondContact O-CB 3.49Å; E109-K112 PolarHBondContact O-N 3.23Å; E109-K112 WeakPolarHBondContact OE1-CE 3.46Å; E109-K112 IonicContact OE1-NZ 3.78Å; E109-K112 PolarHBondContact OE1-NZ 2.81Å; E109-K112 IonicContact OE2-NZ 2.92Å; E110-K112 VanDerWaalsContact C-N 3.34Å; E110-K112 PolarHBondContact O-N 3.07Å
113	C	83.4	Confident	82.4	Confident	99 Å²	99	57.9 Å²	57.9	67%	0.669	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	0.2	177.4	-64.2	0	0	0	0	113.3	Y69 E110 Y111	Y69-C113 WeakPolarHBondContact CE1-O 3.25Å; E110-C113 WeakPolarHBondContact O-CB 3.25Å; E110-C113 PolarHBondContact O-N 3.17Å; E110-C113 VanDerWaalsContact O-N 3.11Å; Y111-C113 PolarHBondContact O-N 3.5Å
114	R	81	Confident	82.1	Confident	81 Å²	81	58.2 Å²	58.2	31%	0.306	31%	0.305	S	S	.	.	S	Bend	trans	-106.9	140.1	-172	-70.7	179.6	175.9	-133.6	3	113.7	Y69 E110 Y111 D121	Y69-R114 PolarHBondContact N-O 3Å; E110-R114 IonicContact OE1-CZ 3.29Å; E110-R114 VanDerWaalsContact OE1-CZ 3.29Å; E110-R114 IonicContact OE1-NE 3.25Å; E110-R114 PolarHBondContact OE1-NE 2.97Å; E110-R114 IonicContact OE1-NH2 2.71Å; E110-R114 PolarHBondContact OE1-NH2 3.25Å; Y111-R114 PolarHBondContact O-N 2.91Å; R114-D121 IonicContact NH1-OD1 2.99Å; R114-D121 IonicContact NH1-OD2 3.91Å
115	P	74.9	Confident	81.9	Confident	63 Å²	63	58.9 Å²	58.9	41%	0.409	31%	0.309	S	S	.	.			trans	-69.9	136.1	168.1	30.3	-32.5	0	0	0	110
116	H	68.2	Low	81.8	Confident	46 Å²	46	55 Å²	55	21%	0.213	29%	0.291	C	S	.	.			trans	-84.2	120.6	-179.1	179.6	-76.8	0	0	0	111	F65 S68	F65-H116 AromaticContact CD1-CD2 3.41Å; F65-H116 VanDerWaalsContact CD1-CD2 3.41Å; F65-H116 WeakPolarHBondContact CD1-CD2 3.47Å; F65-H116 HydrophobicContact CE1-CB 3.61Å; F65-H116 AromaticContact CE1-CD2 3.28Å; F65-H116 WeakPolarHBondContact CE1-CD2 3.35Å; F65-H116 AromaticContact CE1-CG 3.73Å; F65-H116 HydrophobicContact CE2-CB 4.45Å; F65-H116 HydrophobicContact CZ-CB 3.54Å; F65-H116 AromaticContact CZ-CD2 3.96Å; S68-H116 WeakPolarHBondContact OG-CB 3.45Å; S68-H116 PolarHBondContact OG-N 2.82Å
117	N	69.6	Low	81.8	Confident	92 Å²	92	51.7 Å²	51.7	49%	0.492	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-115	118.6	174.5	-79.3	-45.1	0	0	0	110.3	C119 M120 D121 N122	N117-C119 PolarHBondContact O-N 3.25Å; N117-M120 PolarHBondContact O-N 2.85Å; N117-D121 HydrophobicContact CB-CB 4.34Å; N117-D121 PolarHBondContact N-O 2.88Å; N117-D121 CarbonylContact O-C 3.56Å; N117-D121 PolarHBondContact O-N 3.27Å; N117-N122 WeakPolarHBondContact O-CB 3.33Å
118	L	60.8	Low	81.8	Confident	117 Å²	117	51.9 Å²	51.9	61%	0.613	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.3	-33.7	-172.8	-168.7	66.9	0	0	0	114.7	N122	L118-N122 PolarHBondContact O-ND2 3.49Å
119	C	54.2	Low	81.9	Confident	102 Å²	102	53.6 Å²	53.6	69%	0.689	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	-15.7	-173.4	-62.9	0	0	0	0	116.4	N117 M144	N117-C119 PolarHBondContact O-N 3.25Å; C119-M144 WeakPolarHBondContact O-CE 3.49Å
120	M	52.7	Low	82	Confident	161 Å²	161	50 Å²	50	79%	0.793	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.7	-33.8	-168.4	-73.5	178.3	142.6	0	0	114.5	N117 S125	N117-M120 PolarHBondContact O-N 2.85Å; M120-S125 PolarHBondContact O-OG 3.4Å
121	D	66.4	Low	82.3	Confident	28 Å²	28	45.8 Å²	45.8	15%	0.15	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-134.9	80.4	176.9	-161.8	20.4	0	0	0	107.5	Y111 R114 N117	Y111-D121 WeakPolarHBondContact CE1-OD1 3.46Å; Y111-D121 PolarHBondContact OH-OD1 3.49Å; Y111-D121 VanDerWaalsContact OH-OD1 3.11Å; R114-D121 IonicContact NH1-OD1 2.99Å; R114-D121 IonicContact NH1-OD2 3.91Å; N117-D121 HydrophobicContact CB-CB 4.34Å; N117-D121 PolarHBondContact N-O 2.88Å; N117-D121 CarbonylContact O-C 3.56Å; N117-D121 PolarHBondContact O-N 3.27Å
122	N	83.3	Confident	82.7	Confident	18 Å²	18	47.3 Å²	47.3	10%	0.096	26%	0.256	C	S	.	.	S	Bend	trans	-128.6	-169.4	-170.2	72.9	19.6	0	0	0	111.4	N117 L118 H124 S125 H126 M144	N117-N122 WeakPolarHBondContact O-CB 3.33Å; L118-N122 PolarHBondContact O-ND2 3.49Å; N122-H124 PolarHBondContact O-N 2.87Å; N122-H124 WeakPolarHBondContact OD1-CB 3.48Å; N122-H124 PolarHBondContact OD1-N 3.34Å; N122-S125 PolarHBondContact N-OG 2.62Å; N122-S125 WeakPolarHBondContact O-CB 3.3Å; N122-S125 PolarHBondContact O-N 3.4Å; N122-S125 PolarHBondContact OD1-N 2.79Å; N122-H126 PolarHBondContact O-N 2.89Å; N122-H126 VanDerWaalsContact O-N 3.08Å; N122-M144 WeakPolarHBondContact ND2-CE 3.37Å; N122-M144 WeakPolarHBondContact OD1-CE 3.41Å
123	C	88.9	Confident	83.1	Confident	6 Å²	6	47.9 Å²	47.9	4%	0.041	26%	0.262	C	S	.	.	H	α-helix	trans	-56.8	-30.8	179.7	59	0	0	0	0	115	H52 M53 V127	H52-C123 WeakPolarHBondContact CE1-CB 3.42Å; H52-C123 WeakPolarHBondContact ND1-CB 3.32Å; H52-C123 PolarHBondContact ND1-SG 3.26Å; M53-C123 PolarHBondContact N-SG 2.88Å; M53-C123 WeakPolarHBondContact O-CB 3.47Å; C123-V127 WeakPolarHBondContact O-CG2 3.4Å; C123-V127 PolarHBondContact O-N 3Å
124	H	92.4	Very high	83.8	Confident	11 Å²	11	43.3 Å²	43.3	5%	0.051	23%	0.231	C	C	.	.	H	α-helix	trans	-74.6	-35.6	175.4	-68.1	-153.9	0	0	0	110.9	G51 M53 N122 H126 V127 A128 M144 L147	G51-H124 PolarHBondContact O-NE2 3.4Å; M53-H124 VanDerWaalsContact CB-CD2 3.47Å; M53-H124 WeakPolarHBondContact CB-CD2 3.46Å; N122-H124 PolarHBondContact O-N 2.87Å; N122-H124 WeakPolarHBondContact OD1-CB 3.48Å; N122-H124 PolarHBondContact OD1-N 3.34Å; H124-H126 VanDerWaalsContact C-N 3.31Å; H124-V127 PolarHBondContact O-N 2.78Å; H124-A128 VanDerWaalsContact O-CB 3.27Å; H124-A128 WeakPolarHBondContact O-CB 3.44Å; H124-A128 PolarHBondContact O-N 2.83Å; H124-M144 HydrophobicContact CB-CB 3.82Å; H124-M144 HydrophobicContact CB-CE 4.44Å; H124-M144 HydrophobicContact CB-CG 3.8Å; H124-L147 VanDerWaalsContact O-CD1 3.24Å; H124-L147 WeakPolarHBondContact O-CD1 3.38Å
125	S	92.4	Very high	84.5	Confident	14 Å²	14	45.4 Å²	45.4	10%	0.098	24%	0.239	C	C	.	.	H	α-helix	trans	-63.5	-39.2	174.4	-51.4	0	0	0	0	111.1	Y111 M120 N122 A128 M129 M144	Y111-S125 WeakPolarHBondContact OH-CB 3.27Å; Y111-S125 PolarHBondContact OH-O 2.96Å; Y111-S125 VanDerWaalsContact OH-O 3.09Å; M120-S125 PolarHBondContact O-OG 3.4Å; N122-S125 PolarHBondContact N-OG 2.62Å; N122-S125 WeakPolarHBondContact O-CB 3.3Å; N122-S125 PolarHBondContact O-N 3.4Å; N122-S125 PolarHBondContact OD1-N 2.79Å; S125-A128 PolarHBondContact O-N 2.83Å; S125-M129 WeakPolarHBondContact O-CB 3.19Å; S125-M129 PolarHBondContact O-N 3.02Å; S125-M144 VanDerWaalsContact OG-CG 3.31Å; S125-M144 WeakPolarHBondContact OG-CG 3.28Å; S125-M144 PolarHBondContact OG-SD 2.54Å
126	H	95.7	Very high	85.6	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.2	-50.4	174	170	-112.1	0	0	0	111.9	F65 A107 S108 Y111 N122 H124 A128 M129 A130	F65-H126 HydrophobicContact CB-CB 3.8Å; A107-H126 PolarHBondContact O-CD2 2.91Å; S108-H126 PolarHBondContact N-NE2 3.21Å; S108-H126 PolarHBondContact OG-NE2 2.85Å; Y111-H126 HydrophobicContact CD1-CB 3.81Å; Y111-H126 HydrophobicContact CD2-CB 4.02Å; Y111-H126 AromaticContact CD2-CD2 3.66Å; Y111-H126 HydrophobicContact CE1-CB 3.84Å; Y111-H126 HydrophobicContact CE2-CB 4.08Å; Y111-H126 HydrophobicContact CG-CB 3.88Å; Y111-H126 AromaticContact CG-CD2 3.76Å; Y111-H126 VanDerWaalsContact CZ-CA 3.46Å; Y111-H126 VanDerWaalsContact CZ-N 3.33Å; Y111-H126 PolarHBondContact OH-N 3.38Å; N122-H126 PolarHBondContact O-N 2.89Å; N122-H126 VanDerWaalsContact O-N 3.08Å; H124-H126 VanDerWaalsContact C-N 3.31Å; H126-A128 PolarHBondContact O-N 3.39Å; H126-M129 PolarHBondContact O-N 3.4Å; H126-A130 PolarHBondContact O-N 2.72Å; H126-A130 VanDerWaalsContact O-N 3.15Å
127	V	97.1	Very high	86.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-40.6	177.1	174.8	0	0	0	0	111.7	I35 M53 I55 C123 H124 M129 A130 L131 L147	I35-V127 HydrophobicContact CD1-CG1 3.8Å; I35-V127 HydrophobicContact CG1-CG1 3.96Å; M53-V127 HydrophobicContact CG-CG2 3.98Å; M53-V127 HydrophobicContact SD-CB 4.12Å; M53-V127 HydrophobicContact SD-CG1 4.01Å; M53-V127 HydrophobicContact SD-CG2 4.22Å; I55-V127 HydrophobicContact CB-CG1 4.2Å; I55-V127 HydrophobicContact CB-CG2 3.98Å; I55-V127 HydrophobicContact CD1-CG1 4.42Å; I55-V127 HydrophobicContact CG2-CG2 4.27Å; C123-V127 WeakPolarHBondContact O-CG2 3.4Å; C123-V127 PolarHBondContact O-N 3Å; H124-V127 PolarHBondContact O-N 2.78Å; V127-M129 VanDerWaalsContact C-N 3.29Å; V127-M129 PolarHBondContact O-N 2.69Å; V127-A130 PolarHBondContact O-N 3.21Å; V127-L131 PolarHBondContact O-N 3.12Å; V127-L131 VanDerWaalsContact O-N 3.07Å; V127-L147 HydrophobicContact CB-CD1 3.89Å; V127-L147 HydrophobicContact CG1-CD1 3.74Å; V127-L147 HydrophobicContact CG1-CD2 4.2Å
128	A	97	Very high	88.1	Confident	4 Å²	4	46.2 Å²	46.2	3%	0.033	24%	0.24	C	C	.	.	H	α-helix	trans	-61.2	-40.7	177.1	0	0	0	0	0	111.4	H124 S125 H126 L131 N132 W142 L147	H124-A128 VanDerWaalsContact O-CB 3.27Å; H124-A128 WeakPolarHBondContact O-CB 3.44Å; H124-A128 PolarHBondContact O-N 2.83Å; S125-A128 PolarHBondContact O-N 2.83Å; H126-A128 PolarHBondContact O-N 3.39Å; A128-L131 PolarHBondContact O-N 2.95Å; A128-N132 WeakPolarHBondContact O-CB 3.4Å; A128-N132 PolarHBondContact O-N 2.82Å; A128-N132 PolarHBondContact O-ND2 2.93Å; A128-N132 VanDerWaalsContact O-ND2 3.14Å; A128-W142 HydrophobicContact CB-CB 4.27Å; A128-L147 HydrophobicContact CB-CD1 3.71Å
129	M	96.7	Very high	89.7	Confident	36 Å²	36	42 Å²	42	18%	0.177	22%	0.221	C	C	.	.	H	α-helix	trans	-63.8	-43	177	-170.2	164.7	81.9	0	0	111.9	A107 E110 Y111 S125 H126 V127 L131 N132 L133	A107-M129 VanDerWaalsContact CA-CE 3.42Å; A107-M129 HydrophobicContact CB-CB 4.5Å; A107-M129 HydrophobicContact CB-CE 3.89Å; A107-M129 WeakPolarHBondContact O-CE 3.47Å; E110-M129 HydrophobicContact CB-CE 3.38Å; E110-M129 HydrophobicContact CG-CE 3.32Å; E110-M129 HydrophobicContact CG-SD 3.89Å; Y111-M129 HydrophobicContact CD2-CE 3.37Å; Y111-M129 HydrophobicContact CD2-SD 4.36Å; Y111-M129 HydrophobicContact CE2-CB 4.07Å; Y111-M129 HydrophobicContact CE2-CE 3.32Å; Y111-M129 HydrophobicContact CE2-SD 3.73Å; S125-M129 WeakPolarHBondContact O-CB 3.19Å; S125-M129 PolarHBondContact O-N 3.02Å; H126-M129 PolarHBondContact O-N 3.4Å; V127-M129 VanDerWaalsContact C-N 3.29Å; V127-M129 PolarHBondContact O-N 2.69Å; M129-L131 VanDerWaalsContact C-N 3.34Å; M129-L131 PolarHBondContact O-N 3.23Å; M129-N132 PolarHBondContact O-N 3.22Å; M129-L133 HydrophobicContact CG-CD1 4.11Å; M129-L133 HydrophobicContact CG-CG 4.29Å; M129-L133 WeakPolarHBondContact O-CB 3.38Å; M129-L133 VanDerWaalsContact O-CG 3.31Å; M129-L133 WeakPolarHBondContact O-CG 3.37Å; M129-L133 PolarHBondContact O-N 3.37Å
130	A	97.6	Very high	91.7	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-56.9	-48.3	174.1	0	0	0	0	0	111.3	I55 V104 A107 H126 V127 N132 L133 M134	I55-A130 HydrophobicContact CD1-CB 3.89Å; I55-A130 HydrophobicContact CG2-CB 4.29Å; V104-A130 HydrophobicContact CG2-CB 4.46Å; A107-A130 HydrophobicContact CB-CB 3.72Å; H126-A130 PolarHBondContact O-N 2.72Å; H126-A130 VanDerWaalsContact O-N 3.15Å; V127-A130 PolarHBondContact O-N 3.21Å; A130-N132 VanDerWaalsContact C-N 3.31Å; A130-N132 PolarHBondContact O-N 3.5Å; A130-L133 PolarHBondContact O-N 3.2Å; A130-M134 HydrophobicContact CB-CE 4.41Å; A130-M134 WeakPolarHBondContact O-CE 3.37Å; A130-M134 WeakPolarHBondContact O-CG 3.45Å; A130-M134 PolarHBondContact O-N 2.98Å; A130-M134 VanDerWaalsContact O-N 3.1Å
131	L	97.9	Very high	93.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-61.8	-37	177.4	-65.6	-174.9	0	0	0	113	I35 I55 L87 V127 A128 M129 M134 R135 Y136 W142 L147	I35-L131 HydrophobicContact CD1-CD1 4.29Å; I55-L131 HydrophobicContact CD1-CD2 4.17Å; L87-L131 HydrophobicContact CD1-CD2 3.72Å; V127-L131 PolarHBondContact O-N 3.12Å; V127-L131 VanDerWaalsContact O-N 3.07Å; A128-L131 PolarHBondContact O-N 2.95Å; M129-L131 VanDerWaalsContact C-N 3.34Å; M129-L131 PolarHBondContact O-N 3.23Å; L131-M134 HydrophobicContact CD2-SD 3.94Å; L131-M134 WeakPolarHBondContact O-CG 3.4Å; L131-R135 PolarHBondContact O-N 3.36Å; L131-R135 VanDerWaalsContact O-N 3.12Å; L131-Y136 HydrophobicContact CD2-CD1 4.5Å; L131-Y136 HydrophobicContact CD2-CD2 4.44Å; L131-Y136 HydrophobicContact CD2-CG 4.07Å; L131-Y136 PolarHBondContact O-N 3.15Å; L131-W142 HydrophobicContact CB-CB 4.08Å; L131-W142 HydrophobicContact CB-CD2 4.16Å; L131-W142 HydrophobicContact CB-CG 3.72Å; L131-W142 HydrophobicContact CD1-CB 4.47Å; L131-W142 HydrophobicContact CD1-CD2 3.61Å; L131-W142 HydrophobicContact CD1-CE3 3.59Å; L131-W142 HydrophobicContact CD1-CG 3.99Å; L131-W142 HydrophobicContact CD1-CZ3 4.08Å; L131-L147 HydrophobicContact CD1-CD2 3.68Å
132	N	97.8	Very high	95.2	Very high	39 Å²	39	37.6 Å²	37.6	21%	0.209	21%	0.205	C	C	.	.	H	α-helix	trans	-69.1	-41.8	176.8	-71.6	-29.1	0	0	0	112.4	A128 M129 A130 M134 R135 S140 S141 W142	A128-N132 WeakPolarHBondContact O-CB 3.4Å; A128-N132 PolarHBondContact O-N 2.82Å; A128-N132 PolarHBondContact O-ND2 2.93Å; A128-N132 VanDerWaalsContact O-ND2 3.14Å; M129-N132 PolarHBondContact O-N 3.22Å; A130-N132 VanDerWaalsContact C-N 3.31Å; A130-N132 PolarHBondContact O-N 3.5Å; N132-M134 VanDerWaalsContact C-N 3.34Å; N132-M134 PolarHBondContact O-N 3.37Å; N132-R135 PolarHBondContact O-N 3.49Å; N132-R135 VanDerWaalsContact O-N 3.08Å; N132-S140 VanDerWaalsContact CG-C 3.5Å; N132-S140 WeakPolarHBondContact OD1-CA 3.31Å; N132-S140 PolarHBondContact OD1-O 3.4Å; N132-S141 PolarHBondContact OD1-N 2.84Å; N132-S141 VanDerWaalsContact OD1-N 3.08Å; N132-W142 PolarHBondContact ND2-O 3.06Å; N132-W142 WeakPolarHBondContact OD1-CA 3.33Å; N132-W142 VanDerWaalsContact OD1-CB 3.24Å; N132-W142 WeakPolarHBondContact OD1-CB 3.33Å; N132-W142 PolarHBondContact OD1-N 2.92Å
133	L	97.4	Very high	95.7	Very high	89 Å²	89	39.7 Å²	39.7	47%	0.466	22%	0.216	S	C	.	.	H	α-helix	trans	-62.7	-40.5	177.8	-73.8	171.8	0	0	0	111.7	A103 D106 A107 M129 A130 R135	A103-L133 HydrophobicContact CB-CB 3.83Å; D106-L133 HydrophobicContact CB-CD1 3.91Å; A107-L133 HydrophobicContact CB-CD1 4.15Å; M129-L133 HydrophobicContact CG-CD1 4.11Å; M129-L133 HydrophobicContact CG-CG 4.29Å; M129-L133 WeakPolarHBondContact O-CB 3.38Å; M129-L133 VanDerWaalsContact O-CG 3.31Å; M129-L133 WeakPolarHBondContact O-CG 3.37Å; M129-L133 PolarHBondContact O-N 3.37Å; A130-L133 PolarHBondContact O-N 3.2Å; L133-R135 PolarHBondContact O-N 3.42Å
134	M	97.1	Very high	95.8	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.015	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-0.1	175.2	70.6	-176.2	62.3	0	0	113.9	I55 V92 C93 W100 A103 V104 A130 L131 N132 Y136	I55-M134 HydrophobicContact CD1-CE 4.3Å; V92-M134 HydrophobicContact CG1-CB 4.02Å; V92-M134 HydrophobicContact CG2-SD 4.04Å; C93-M134 PolarHBondContact N-O 3.17Å; C93-M134 VanDerWaalsContact N-O 3.14Å; W100-M134 HydrophobicContact CD2-CE 3.84Å; W100-M134 HydrophobicContact CD2-SD 4.03Å; W100-M134 HydrophobicContact CE3-CE 3.8Å; W100-M134 HydrophobicContact CE3-SD 3.34Å; W100-M134 HydrophobicContact CG-CE 4.26Å; W100-M134 HydrophobicContact CH2-SD 4.39Å; W100-M134 HydrophobicContact CZ3-CE 4.23Å; W100-M134 HydrophobicContact CZ3-SD 3.56Å; W100-M134 VanDerWaalsContact CZ3-SD 3.56Å; A103-M134 HydrophobicContact CB-CB 3.63Å; A103-M134 HydrophobicContact CB-CE 3.84Å; A103-M134 HydrophobicContact CB-CG 4.48Å; V104-M134 HydrophobicContact CG2-CE 4.23Å; A130-M134 HydrophobicContact CB-CE 4.41Å; A130-M134 WeakPolarHBondContact O-CE 3.37Å; A130-M134 WeakPolarHBondContact O-CG 3.45Å; A130-M134 PolarHBondContact O-N 2.98Å; A130-M134 VanDerWaalsContact O-N 3.1Å; L131-M134 HydrophobicContact CD2-SD 3.94Å; L131-M134 WeakPolarHBondContact O-CG 3.4Å; N132-M134 VanDerWaalsContact C-N 3.34Å; N132-M134 PolarHBondContact O-N 3.37Å; M134-Y136 PolarHBondContact O-N 3.1Å; M134-Y136 HydrophobicContact SD-CD2 4.26Å
135	R	96.9	Very high	95.7	Very high	124 Å²	124	45.7 Å²	45.7	47%	0.468	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.7	46.9	-174.4	-58.6	-179.3	62.9	-171.4	-3.1	113	C93 L131 N132 L133 D137 N138 S139	C93-R135 HydrophobicContact CB-CB 3.64Å; C93-R135 HydrophobicContact CB-CG 4.48Å; L131-R135 PolarHBondContact O-N 3.36Å; L131-R135 VanDerWaalsContact O-N 3.12Å; N132-R135 PolarHBondContact O-N 3.49Å; N132-R135 VanDerWaalsContact O-N 3.08Å; L133-R135 PolarHBondContact O-N 3.42Å; R135-D137 PolarHBondContact O-N 3.38Å; R135-N138 WeakPolarHBondContact O-CA 3.24Å; R135-N138 PolarHBondContact O-N 3.07Å; R135-S139 CarbonylContact C-O 3.57Å; R135-S139 VanDerWaalsContact CA-O 3.26Å; R135-S139 WeakPolarHBondContact CA-O 3.42Å
136	Y	97.3	Very high	95.8	Very high	12 Å²	12	48.4 Å²	48.4	5%	0.047	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-58.7	130.8	-175.9	-174.8	-91.4	0	0	0	111	L87 D88 K91 V92 W100 L131 M134 N138 S139 W142	L87-Y136 HydrophobicContact CB-CE2 3.89Å; L87-Y136 WeakPolarHBondContact CB-OH 3.42Å; L87-Y136 HydrophobicContact CD1-CE2 4.41Å; L87-Y136 HydrophobicContact CD2-CE1 4.13Å; L87-Y136 WeakPolarHBondContact CD2-OH 3.39Å; D88-Y136 PolarHBondContact N-OH 2.96Å; D88-Y136 WeakPolarHBondContact O-CE2 3.29Å; K91-Y136 HydrophobicContact CB-CD2 4.15Å; K91-Y136 HydrophobicContact CB-CE1 4.38Å; K91-Y136 HydrophobicContact CB-CE2 3.77Å; K91-Y136 HydrophobicContact CD-CE1 4.19Å; V92-Y136 HydrophobicContact CG2-CD2 4.18Å; W100-Y136 HydrophobicContact CZ3-CD2 4.03Å; W100-Y136 HydrophobicContact CZ3-CE2 4.09Å; L131-Y136 HydrophobicContact CD2-CD1 4.5Å; L131-Y136 HydrophobicContact CD2-CD2 4.44Å; L131-Y136 HydrophobicContact CD2-CG 4.07Å; L131-Y136 PolarHBondContact O-N 3.15Å; M134-Y136 PolarHBondContact O-N 3.1Å; M134-Y136 HydrophobicContact SD-CD2 4.26Å; Y136-N138 VanDerWaalsContact C-N 3.25Å; Y136-N138 PolarHBondContact O-N 2.76Å; Y136-S139 PolarHBondContact O-N 3.33Å; Y136-S139 VanDerWaalsContact O-N 3.17Å; Y136-W142 HydrophobicContact CD1-CH2 4.34Å; Y136-W142 AromaticContact CD1-CZ2 3.6Å; Y136-W142 HydrophobicContact CD1-CZ2 3.6Å; Y136-W142 HydrophobicContact CE1-CZ2 4.13Å; Y136-W142 PolarHBondContact O-NE1 2.88Å
137	D	95.9	Very high	95.7	Very high	80 Å²	80	48.4 Å²	48.4	43%	0.428	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	57.5	37.6	-175.9	-147.4	21.2	0	0	0	112.5	K91 R135 S139 W142	K91-D137 HydrophobicContact CD-CB 4.29Å; K91-D137 IonicContact NZ-OD1 2.82Å; K91-D137 PolarHBondContact NZ-OD1 3.08Å; K91-D137 IonicContact NZ-OD2 2.84Å; K91-D137 PolarHBondContact NZ-OD2 2.94Å; K91-D137 PolarHBondContact O-N 3.47Å; R135-D137 PolarHBondContact O-N 3.38Å; D137-S139 PolarHBondContact O-N 2.72Å; D137-S139 VanDerWaalsContact O-N 3.1Å; D137-W142 HydrophobicContact CB-CZ2 4.46Å
138	N	94.6	Very high	95.5	Very high	126 Å²	126	49.9 Å²	49.9	67%	0.674	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	58.1	17.8	-175.7	-65.1	-62.7	0	0	0	114.9	R135 Y136	R135-N138 WeakPolarHBondContact O-CA 3.24Å; R135-N138 PolarHBondContact O-N 3.07Å; Y136-N138 VanDerWaalsContact C-N 3.25Å; Y136-N138 PolarHBondContact O-N 2.76Å
139	S	94.7	Very high	95.3	Very high	30 Å²	30	53.2 Å²	53.2	21%	0.21	29%	0.294	C	S	.	.			trans	-109.1	142.2	-177.6	179.8	0	0	0	0	112.3	R135 Y136 D137 S141	R135-S139 CarbonylContact C-O 3.57Å; R135-S139 VanDerWaalsContact CA-O 3.26Å; R135-S139 WeakPolarHBondContact CA-O 3.42Å; Y136-S139 PolarHBondContact O-N 3.33Å; Y136-S139 VanDerWaalsContact O-N 3.17Å; D137-S139 PolarHBondContact O-N 2.72Å; D137-S139 VanDerWaalsContact O-N 3.1Å; S139-S141 PolarHBondContact OG-N 2.82Å; S139-S141 PolarHBondContact OG-OG 3.38Å
140	S	95.1	Very high	95.2	Very high	87 Å²	87	53.8 Å²	53.8	61%	0.608	30%	0.297	S	S	*	.	S	Bend	trans	-120.1	20.7	170	66.5	0	0	0	0	112.2	N132	N132-S140 VanDerWaalsContact CG-C 3.5Å; N132-S140 WeakPolarHBondContact OD1-CA 3.31Å; N132-S140 PolarHBondContact OD1-O 3.4Å
141	S	95.8	Very high	95	Very high	82 Å²	82	54 Å²	54	57%	0.573	30%	0.298	S	S	*	.			trans	-123.2	23.3	-176.6	60.7	0	0	0	0	113.4	N132 S139 N143	N132-S141 PolarHBondContact OD1-N 2.84Å; N132-S141 VanDerWaalsContact OD1-N 3.08Å; S139-S141 PolarHBondContact OG-N 2.82Å; S139-S141 PolarHBondContact OG-OG 3.38Å; S141-N143 PolarHBondContact O-ND2 3.47Å
142	W	96.9	Very high	94.8	Very high	29 Å²	29	58.4 Å²	58.4	11%	0.11	32%	0.318	C	S	.	.			trans	-56.6	138.4	167.2	-68.2	90.9	0	0	0	110.1	W85 A128 L131 N132 Y136 D137 L147 L150	W85-W142 HydrophobicContact CH2-CH2 4.49Å; W85-W142 HydrophobicContact CH2-CZ3 4.38Å; A128-W142 HydrophobicContact CB-CB 4.27Å; L131-W142 HydrophobicContact CB-CB 4.08Å; L131-W142 HydrophobicContact CB-CD2 4.16Å; L131-W142 HydrophobicContact CB-CG 3.72Å; L131-W142 HydrophobicContact CD1-CB 4.47Å; L131-W142 HydrophobicContact CD1-CD2 3.61Å; L131-W142 HydrophobicContact CD1-CE3 3.59Å; L131-W142 HydrophobicContact CD1-CG 3.99Å; L131-W142 HydrophobicContact CD1-CZ3 4.08Å; N132-W142 PolarHBondContact ND2-O 3.06Å; N132-W142 WeakPolarHBondContact OD1-CA 3.33Å; N132-W142 VanDerWaalsContact OD1-CB 3.24Å; N132-W142 WeakPolarHBondContact OD1-CB 3.33Å; N132-W142 PolarHBondContact OD1-N 2.92Å; Y136-W142 HydrophobicContact CD1-CH2 4.34Å; Y136-W142 AromaticContact CD1-CZ2 3.6Å; Y136-W142 HydrophobicContact CD1-CZ2 3.6Å; Y136-W142 HydrophobicContact CE1-CZ2 4.13Å; Y136-W142 PolarHBondContact O-NE1 2.88Å; D137-W142 HydrophobicContact CB-CZ2 4.46Å; W142-L147 HydrophobicContact CE3-CD2 4.1Å; W142-L147 HydrophobicContact CE3-CG 4.46Å; W142-L147 HydrophobicContact CZ3-CD2 4.34Å; W142-L150 HydrophobicContact CH2-CD1 3.9Å; W142-L150 HydrophobicContact CZ3-CD1 3.59Å
143	N	94.7	Very high	94.6	Very high	62 Å²	62	61.9 Å²	61.9	33%	0.332	34%	0.335	S	S	.	.			trans	-147	173.4	-178.5	65.1	65.2	0	0	0	110	S141 V145 N146 L147	S141-N143 PolarHBondContact O-ND2 3.47Å; N143-V145 VanDerWaalsContact C-N 3.31Å; N143-V145 PolarHBondContact O-N 3.16Å; N143-V145 WeakPolarHBondContact OD1-CB 3.34Å; N143-V145 PolarHBondContact OD1-N 3.4Å; N143-N146 PolarHBondContact ND2-ND2 3.36Å; N143-N146 PolarHBondContact O-N 3.45Å; N143-N146 PolarHBondContact OD1-N 3.13Å; N143-L147 PolarHBondContact O-N 2.99Å; N143-L147 VanDerWaalsContact O-N 3.1Å
144	M	91	Very high	94.5	Very high	42 Å²	42	62.4 Å²	62.4	21%	0.207	34%	0.335	C	S	.	.	H	α-helix	trans	-61.3	-36.5	-175.1	-54.9	167.3	59.6	0	0	113.4	C119 N122 H124 S125 L147 C148	C119-M144 WeakPolarHBondContact O-CE 3.49Å; N122-M144 WeakPolarHBondContact ND2-CE 3.37Å; N122-M144 WeakPolarHBondContact OD1-CE 3.41Å; H124-M144 HydrophobicContact CB-CB 3.82Å; H124-M144 HydrophobicContact CB-CE 4.44Å; H124-M144 HydrophobicContact CB-CG 3.8Å; S125-M144 VanDerWaalsContact OG-CG 3.31Å; S125-M144 WeakPolarHBondContact OG-CG 3.28Å; S125-M144 PolarHBondContact OG-SD 2.54Å; M144-L147 PolarHBondContact O-N 3.48Å; M144-C148 VanDerWaalsContact O-CB 3.25Å; M144-C148 WeakPolarHBondContact O-CB 3.43Å; M144-C148 PolarHBondContact O-N 3.05Å
145	V	91.1	Very high	94.4	Very high	100 Å²	100	63 Å²	63	61%	0.606	34%	0.343	S	S	*	.	H	α-helix	trans	-69.1	-49.1	-177.6	-179.1	0	0	0	0	110	N143 L147 C148 V149	N143-V145 VanDerWaalsContact C-N 3.31Å; N143-V145 PolarHBondContact O-N 3.16Å; N143-V145 WeakPolarHBondContact OD1-CB 3.34Å; N143-V145 PolarHBondContact OD1-N 3.4Å; V145-L147 VanDerWaalsContact C-N 3.28Å; V145-L147 PolarHBondContact O-N 3.02Å; V145-C148 PolarHBondContact O-N 3.35Å; V145-V149 WeakPolarHBondContact O-CG2 3.41Å; V145-V149 PolarHBondContact O-N 3.08Å
146	N	93.7	Very high	94.3	Very high	72 Å²	72	61.6 Å²	61.6	39%	0.385	34%	0.34	S	S	.	.	H	α-helix	trans	-58.2	-43.9	177.2	-67.5	0.3	0	0	0	110.7	N143 L150	N143-N146 PolarHBondContact ND2-ND2 3.36Å; N143-N146 PolarHBondContact O-N 3.45Å; N143-N146 PolarHBondContact OD1-N 3.13Å; N146-L150 VanDerWaalsContact O-CB 3.25Å; N146-L150 WeakPolarHBondContact O-CB 3.28Å; N146-L150 VanDerWaalsContact O-CG 3.24Å; N146-L150 WeakPolarHBondContact O-CG 3.32Å; N146-L150 PolarHBondContact O-N 2.97Å
147	L	93.6	Very high	94.3	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-64.9	-44.4	177.7	-78.6	179.3	0	0	0	113.2	I35 M53 W85 H124 V127 A128 L131 W142 N143 M144 V145 V149 S151	I35-L147 HydrophobicContact CD1-CD2 3.74Å; M53-L147 HydrophobicContact CE-CB 4.21Å; M53-L147 HydrophobicContact SD-CB 4.15Å; M53-L147 HydrophobicContact SD-CD1 4.16Å; M53-L147 HydrophobicContact SD-CD2 4.49Å; W85-L147 HydrophobicContact CZ3-CD2 4.34Å; H124-L147 VanDerWaalsContact O-CD1 3.24Å; H124-L147 WeakPolarHBondContact O-CD1 3.38Å; V127-L147 HydrophobicContact CB-CD1 3.89Å; V127-L147 HydrophobicContact CG1-CD1 3.74Å; V127-L147 HydrophobicContact CG1-CD2 4.2Å; A128-L147 HydrophobicContact CB-CD1 3.71Å; L131-L147 HydrophobicContact CD1-CD2 3.68Å; W142-L147 HydrophobicContact CE3-CD2 4.1Å; W142-L147 HydrophobicContact CE3-CG 4.46Å; W142-L147 HydrophobicContact CZ3-CD2 4.34Å; N143-L147 PolarHBondContact O-N 2.99Å; N143-L147 VanDerWaalsContact O-N 3.1Å; M144-L147 PolarHBondContact O-N 3.48Å; V145-L147 VanDerWaalsContact C-N 3.28Å; V145-L147 PolarHBondContact O-N 3.02Å; L147-V149 PolarHBondContact O-N 3.4Å; L147-S151 WeakPolarHBondContact O-CB 3.34Å; L147-S151 PolarHBondContact O-N 3.02Å
148	C	92.6	Very high	94.2	Very high	30 Å²	30	61.5 Å²	61.5	20%	0.203	34%	0.339	C	S	.	.	H	α-helix	trans	-58.9	-48.6	177.6	-175.6	0	0	0	0	110.9	M144 V145 F152	M144-C148 VanDerWaalsContact O-CB 3.25Å; M144-C148 WeakPolarHBondContact O-CB 3.43Å; M144-C148 PolarHBondContact O-N 3.05Å; V145-C148 PolarHBondContact O-N 3.35Å; C148-F152 VanDerWaalsContact O-CB 3.29Å; C148-F152 WeakPolarHBondContact O-CB 3.31Å; C148-F152 PolarHBondContact O-N 3.29Å
149	V	93.5	Very high	94.1	Very high	74 Å²	74	58.3 Å²	58.3	45%	0.448	33%	0.327	S	S	.	.	H	α-helix	trans	-66.7	-50.8	-179.7	174	0	0	0	0	111.3	V145 L147 F152 I153	V145-V149 WeakPolarHBondContact O-CG2 3.41Å; V145-V149 PolarHBondContact O-N 3.08Å; L147-V149 PolarHBondContact O-N 3.4Å; V149-F152 WeakPolarHBondContact O-CB 3.23Å; V149-F152 PolarHBondContact O-N 3.39Å; V149-I153 HydrophobicContact CG1-CD1 3.74Å; V149-I153 WeakPolarHBondContact O-CG1 3.41Å; V149-I153 PolarHBondContact O-N 3.49Å
150	L	95	Very high	94.1	Very high	49 Å²	49	67 Å²	67	26%	0.257	36%	0.355	S	S	.	.	H	α-helix	trans	-69.2	-38.6	-176.2	-68.5	169.4	0	0	0	112.1	W85 W142 N146 F152 I153 H154	W85-L150 HydrophobicContact CH2-CB 3.47Å; W85-L150 VanDerWaalsContact CH2-CB 3.47Å; W85-L150 HydrophobicContact CH2-CD1 4.05Å; W85-L150 HydrophobicContact CH2-CG 4.33Å; W85-L150 HydrophobicContact CZ2-CB 4.21Å; W85-L150 HydrophobicContact CZ3-CB 3.65Å; W142-L150 HydrophobicContact CH2-CD1 3.9Å; W142-L150 HydrophobicContact CZ3-CD1 3.59Å; N146-L150 VanDerWaalsContact O-CB 3.25Å; N146-L150 WeakPolarHBondContact O-CB 3.28Å; N146-L150 VanDerWaalsContact O-CG 3.24Å; N146-L150 WeakPolarHBondContact O-CG 3.32Å; N146-L150 PolarHBondContact O-N 2.97Å; L150-F152 PolarHBondContact O-N 3.4Å; L150-I153 PolarHBondContact O-N 3.15Å; L150-H154 WeakPolarHBondContact O-CB 3.47Å; L150-H154 PolarHBondContact O-CD2 3.14Å; L150-H154 PolarHBondContact O-N 3.3Å
151	S	92.6	Very high	94.1	Very high	3 Å²	3	66.1 Å²	66.1	2%	0.021	35%	0.353	C	S	.	.	H	α-helix	trans	-67.4	-27.1	173.8	-176.9	0	0	0	0	112.4	L147 G155	L147-S151 WeakPolarHBondContact O-CB 3.34Å; L147-S151 PolarHBondContact O-N 3.02Å; S151-G155 VanDerWaalsContact O-CA 3.26Å; S151-G155 WeakPolarHBondContact O-CA 3.43Å; S151-G155 PolarHBondContact O-N 3.25Å; S151-G155 VanDerWaalsContact O-N 3.08Å
152	F	92.9	Very high	94	Very high	94 Å²	94	62.5 Å²	62.5	41%	0.412	33%	0.328	S	S	.	.	H	α-helix	trans	-71.7	-43.5	172.7	178	-107.1	0	0	0	111.6	F49 C148 V149 L150 W167	F49-F152 HydrophobicContact CB-CD2 3.51Å; F49-F152 HydrophobicContact CB-CE2 3.77Å; F49-F152 HydrophobicContact CB-CG 4.1Å; C148-F152 VanDerWaalsContact O-CB 3.29Å; C148-F152 WeakPolarHBondContact O-CB 3.31Å; C148-F152 PolarHBondContact O-N 3.29Å; V149-F152 WeakPolarHBondContact O-CB 3.23Å; V149-F152 PolarHBondContact O-N 3.39Å; L150-F152 PolarHBondContact O-N 3.4Å; F152-W167 HydrophobicContact CE2-CH2 4.02Å; F152-W167 HydrophobicContact CE2-CZ2 4.25Å; F152-W167 HydrophobicContact CZ-CH2 4.39Å
153	I	94.2	Very high	93.9	Very high	111 Å²	111	63 Å²	63	57%	0.569	33%	0.334	S	S	*	.	H	α-helix	trans	-72.5	-45.4	-178.4	-66.7	169	0	0	0	112	V149 L150	V149-I153 HydrophobicContact CG1-CD1 3.74Å; V149-I153 WeakPolarHBondContact O-CG1 3.41Å; V149-I153 PolarHBondContact O-N 3.49Å; L150-I153 PolarHBondContact O-N 3.15Å
154	H	95.9	Very high	93.9	Very high	100 Å²	100	64.9 Å²	64.9	46%	0.463	34%	0.344	S	S	.	.	H	α-helix	trans	-97.7	-6.1	-173.4	-64.7	-71.6	0	0	0	114	W85 L150 K156	W85-H154 VanDerWaalsContact CD1-CB 3.48Å; W85-H154 HydrophobicContact CD2-CB 4.06Å; W85-H154 HydrophobicContact CG-CB 3.89Å; W85-H154 AromaticContact NE1-CG 3.94Å; L150-H154 WeakPolarHBondContact O-CB 3.47Å; L150-H154 PolarHBondContact O-CD2 3.14Å; L150-H154 PolarHBondContact O-N 3.3Å; H154-K156 PolarHBondContact O-N 3.12Å
155	G	94.7	Very high	94	Very high	17 Å²	17	67.9 Å²	67.9	18%	0.175	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-69.4	123	-178.9	0	0	0	0	0	112.6	Y84 S151	Y84-G155 WeakPolarHBondContact O-CA 3.36Å; S151-G155 VanDerWaalsContact O-CA 3.26Å; S151-G155 WeakPolarHBondContact O-CA 3.43Å; S151-G155 PolarHBondContact O-N 3.25Å; S151-G155 VanDerWaalsContact O-N 3.08Å
156	K	95.5	Very high	94.2	Very high	93 Å²	93	63.2 Å²	63.2	40%	0.404	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	140.4	170.5	-62.2	-173.8	-175.8	-176.6	0	109.7	D10 K83 Y84 H154	D10-K156 IonicContact OD1-NZ 3.87Å; D10-K156 PolarHBondContact OD1-NZ 3.06Å; D10-K156 IonicContact OD2-NZ 2.73Å; D10-K156 PolarHBondContact OD2-NZ 3.31Å; K83-K156 CarbonylContact C-O 3.5Å; K83-K156 WeakPolarHBondContact CA-O 3.27Å; Y84-K156 HydrophobicContact CD1-CB 4.47Å; Y84-K156 WeakPolarHBondContact CD1-O 3.45Å; Y84-K156 HydrophobicContact CE1-CB 3.94Å; Y84-K156 HydrophobicContact CE2-CB 4.33Å; Y84-K156 PolarHBondContact N-O 3.43Å; Y84-K156 PolarHBondContact O-N 3.23Å; H154-K156 PolarHBondContact O-N 3.12Å
157	H	95.6	Very high	94.3	Very high	57 Å²	57	63.6 Å²	63.6	26%	0.264	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	142.5	174	-69	83.5	0	0	0	110.5	T82 S159 V163 W167	T82-H157 VanDerWaalsContact O-CA 3.3Å; T82-H157 WeakPolarHBondContact O-CA 3.31Å; H157-S159 VanDerWaalsContact C-N 3.28Å; H157-S159 PolarHBondContact O-N 3.49Å; H157-V163 HydrophobicContact CB-CG2 3.66Å; H157-W167 AromaticContact CE1-NE1 3.53Å; H157-W167 AromaticContact NE2-CD1 3.88Å; H157-W167 AromaticContact NE2-NE1 3.33Å; H157-W167 PolarHBondContact NE2-NE1 3.08Å
158	V	94.3	Very high	94.4	Very high	33 Å²	33	67.3 Å²	67.3	20%	0.2	34%	0.343	C	S	.	.	S	Bend	trans	-72.5	-22	179.9	-59.2	0	0	0	0	113	Y31 P81 T82 Y84 A162	Y31-V158 HydrophobicContact CE1-CG1 3.88Å; P81-V158 WeakPolarHBondContact O-CG2 3.41Å; T82-V158 PolarHBondContact O-N 3.1Å; Y84-V158 HydrophobicContact CD1-CG1 3.67Å; Y84-V158 HydrophobicContact CE1-CG1 4.22Å; V158-A162 HydrophobicContact CG2-CB 3.51Å
159	S	93.7	Very high	94.5	Very high	59 Å²	59	67.5 Å²	67.5	41%	0.413	34%	0.343	S	S	.	.			trans	-169.4	169.6	179.2	67.3	0	0	0	0	112	H157 A161 A162 V163	H157-S159 VanDerWaalsContact C-N 3.28Å; H157-S159 PolarHBondContact O-N 3.49Å; S159-A161 VanDerWaalsContact C-N 3.3Å; S159-A161 PolarHBondContact O-N 3.29Å; S159-A161 PolarHBondContact OG-N 3.38Å; S159-A162 WeakPolarHBondContact O-CB 3Å; S159-A162 PolarHBondContact O-N 3.44Å; S159-A162 VanDerWaalsContact O-N 3.11Å; S159-A162 PolarHBondContact OG-N 3.3Å; S159-V163 PolarHBondContact O-N 3.25Å; S159-V163 VanDerWaalsContact O-N 3.1Å
160	W	94.1	Very high	94.6	Very high	214 Å²	214	67 Å²	67	81%	0.811	34%	0.335	S	S	*	.	H	α-helix	trans	-60.1	-37.2	169.9	-80.5	107.9	0	0	0	113.4	A162 V163 L164	W160-A162 PolarHBondContact O-N 3.07Å; W160-V163 HydrophobicContact CE3-CB 4.48Å; W160-V163 HydrophobicContact CE3-CG2 4.5Å; W160-V163 WeakPolarHBondContact O-CB 3.43Å; W160-V163 PolarHBondContact O-N 2.86Å; W160-L164 PolarHBondContact O-N 2.94Å
161	A	93.9	Very high	94.7	Very high	67 Å²	67	68.9 Å²	68.9	55%	0.554	35%	0.349	S	S	*	.	H	α-helix	trans	-62.3	-35.3	174.5	0	0	0	0	0	111.5	S159 L164 K165	S159-A161 VanDerWaalsContact C-N 3.3Å; S159-A161 PolarHBondContact O-N 3.29Å; S159-A161 PolarHBondContact OG-N 3.38Å; A161-L164 PolarHBondContact O-N 3.19Å; A161-K165 WeakPolarHBondContact O-CB 2.95Å; A161-K165 PolarHBondContact O-N 2.89Å
162	A	94.6	Very high	94.9	Very high	6 Å²	6	74.3 Å²	74.3	5%	0.05	38%	0.375	C	S	.	.	H	α-helix	trans	-69.7	-35.3	175.3	0	0	0	0	0	112.9	T82 V158 S159 W160 T166	T82-A162 HydrophobicContact CG2-CB 4.18Å; T82-A162 WeakPolarHBondContact O-CB 3.18Å; V158-A162 HydrophobicContact CG2-CB 3.51Å; S159-A162 WeakPolarHBondContact O-CB 3Å; S159-A162 PolarHBondContact O-N 3.44Å; S159-A162 VanDerWaalsContact O-N 3.11Å; S159-A162 PolarHBondContact OG-N 3.3Å; W160-A162 PolarHBondContact O-N 3.07Å; A162-T166 WeakPolarHBondContact O-CB 3.35Å; A162-T166 PolarHBondContact O-N 3.08Å; A162-T166 PolarHBondContact O-OG1 3.48Å
163	V	95.3	Very high	95	Very high	39 Å²	39	73.7 Å²	73.7	24%	0.236	38%	0.376	C	S	.	.	H	α-helix	trans	-59.4	-53.1	170.3	176.8	0	0	0	0	109.7	H157 S159 W160 K165 T166 W167	H157-V163 HydrophobicContact CB-CG2 3.66Å; S159-V163 PolarHBondContact O-N 3.25Å; S159-V163 VanDerWaalsContact O-N 3.1Å; W160-V163 HydrophobicContact CE3-CB 4.48Å; W160-V163 HydrophobicContact CE3-CG2 4.5Å; W160-V163 WeakPolarHBondContact O-CB 3.43Å; W160-V163 PolarHBondContact O-N 2.86Å; V163-K165 PolarHBondContact O-N 3.4Å; V163-T166 PolarHBondContact O-N 2.9Å; V163-T166 VanDerWaalsContact O-N 3.11Å; V163-W167 VanDerWaalsContact O-CD1 3.28Å; V163-W167 PolarHBondContact O-N 3.14Å
164	L	94.2	Very high	95.1	Very high	103 Å²	103	70.8 Å²	70.8	54%	0.539	37%	0.365	S	S	.	.	H	α-helix	trans	-58.9	-47.7	179.1	-67.6	175.6	0	0	0	111.7	W160 A161 T166 W167 L168	W160-L164 PolarHBondContact O-N 2.94Å; A161-L164 PolarHBondContact O-N 3.19Å; L164-T166 PolarHBondContact O-N 3.37Å; L164-W167 PolarHBondContact O-N 2.85Å; L164-L168 WeakPolarHBondContact O-CB 3.45Å; L164-L168 PolarHBondContact O-N 3.27Å
165	K	93.2	Very high	95.1	Very high	104 Å²	104	67.7 Å²	67.7	45%	0.452	36%	0.36	S	S	.	.	H	α-helix	trans	-57.3	-34.5	177.5	-177.4	176.9	174.9	-175.2	0	112.7	P39 T82 A161 V163	P39-K165 HydrophobicContact CG-CG 4.32Å; T82-K165 HydrophobicContact CG2-CD 3.91Å; T82-K165 HydrophobicContact CG2-CG 4.38Å; A161-K165 WeakPolarHBondContact O-CB 2.95Å; A161-K165 PolarHBondContact O-N 2.89Å; V163-K165 PolarHBondContact O-N 3.4Å
166	T	94.3	Very high	95.2	Very high	2 Å²	2	71.9 Å²	71.9	1%	0.012	38%	0.382	C	S	.	.	H	α-helix	trans	-80.8	-44	-177.6	-56.4	0	0	0	0	112	W37 T82 A162 V163 L164	W37-T166 HydrophobicContact CH2-CG2 3.86Å; W37-T166 HydrophobicContact CZ3-CG2 3.76Å; T82-T166 PolarHBondContact OG1-OG1 3.09Å; A162-T166 WeakPolarHBondContact O-CB 3.35Å; A162-T166 PolarHBondContact O-N 3.08Å; A162-T166 PolarHBondContact O-OG1 3.48Å; V163-T166 PolarHBondContact O-N 2.9Å; V163-T166 VanDerWaalsContact O-N 3.11Å; L164-T166 PolarHBondContact O-N 3.37Å
167	W	95.9	Very high	95.2	Very high	81 Å²	81	72 Å²	72	31%	0.307	39%	0.386	S	S	.	.	H	α-helix	trans	-102.8	-28.4	-167.8	-66	97.5	0	0	0	114.9	P48 F152 H157 V163 L164 F170 V171	P48-W167 HydrophobicContact CB-CE3 3.99Å; P48-W167 HydrophobicContact CB-CH2 4.49Å; P48-W167 HydrophobicContact CB-CZ3 3.94Å; P48-W167 HydrophobicContact CG-CE3 4.03Å; P48-W167 HydrophobicContact CG-CH2 4.38Å; P48-W167 HydrophobicContact CG-CZ3 3.65Å; F152-W167 HydrophobicContact CE2-CH2 4.02Å; F152-W167 HydrophobicContact CE2-CZ2 4.25Å; F152-W167 HydrophobicContact CZ-CH2 4.39Å; H157-W167 AromaticContact CE1-NE1 3.53Å; H157-W167 AromaticContact NE2-CD1 3.88Å; H157-W167 AromaticContact NE2-NE1 3.33Å; H157-W167 PolarHBondContact NE2-NE1 3.08Å; V163-W167 VanDerWaalsContact O-CD1 3.28Å; V163-W167 PolarHBondContact O-N 3.14Å; L164-W167 PolarHBondContact O-N 2.85Å; W167-F170 PolarHBondContact O-N 3.03Å; W167-V171 WeakPolarHBondContact O-CG2 3.35Å; W167-V171 PolarHBondContact O-N 2.92Å
168	L	95.6	Very high	95.2	Very high	78 Å²	78	72 Å²	72	41%	0.408	40%	0.396	S	S	.	.	H	α-helix	trans	-58.5	-44.3	-173.8	-174.2	66.3	0	0	0	113.2	L164 F170 V171 M172	L164-L168 WeakPolarHBondContact O-CB 3.45Å; L164-L168 PolarHBondContact O-N 3.27Å; L168-F170 VanDerWaalsContact C-N 3.34Å; L168-F170 PolarHBondContact O-N 3.3Å; L168-V171 PolarHBondContact O-N 3.06Å; L168-M172 HydrophobicContact CD1-CE 3.94Å; L168-M172 HydrophobicContact CD1-CG 4.36Å; L168-M172 HydrophobicContact CD2-CE 4.02Å; L168-M172 HydrophobicContact CG-CE 3.89Å; L168-M172 HydrophobicContact CG-CG 4.41Å; L168-M172 HydrophobicContact CG-SD 4.16Å; L168-M172 WeakPolarHBondContact O-CB 3.26Å; L168-M172 WeakPolarHBondContact O-CG 3.47Å; L168-M172 PolarHBondContact O-N 3.45Å
169	P	95.6	Very high	95.3	Very high	33 Å²	33	74.6 Å²	74.6	21%	0.214	41%	0.413	C	S	.	.	H	α-helix	trans	-61	-40.9	179.2	-24.1	35.8	0	0	0	113.2	W45 M172 L173	W45-P169 HydrophobicContact CB-CB 3.82Å; W45-P169 HydrophobicContact CD2-CB 3.99Å; W45-P169 HydrophobicContact CG-CB 3.47Å; W45-P169 VanDerWaalsContact CG-CB 3.47Å; W45-P169 HydrophobicContact CG-CG 4.22Å; P169-M172 PolarHBondContact O-N 2.76Å; P169-L173 WeakPolarHBondContact O-CB 3.44Å; P169-L173 PolarHBondContact O-N 2.93Å
170	F	96.1	Very high	95.4	Very high	64 Å²	64	77.6 Å²	77.6	28%	0.281	42%	0.418	S	S	.	.	H	α-helix	trans	-65.1	-47.3	177.6	176.4	-100.4	0	0	0	111.5	W45 V46 P48 W167 L168 M172 L173 C174	W45-F170 WeakPolarHBondContact O-CA 3.24Å; W45-F170 WeakPolarHBondContact O-CB 3.46Å; W45-F170 WeakPolarHBondContact O-CD2 3.43Å; V46-F170 WeakPolarHBondContact O-CD2 3.5Å; V46-F170 WeakPolarHBondContact O-CE2 3.44Å; P48-F170 HydrophobicContact CB-CB 4.34Å; P48-F170 HydrophobicContact CB-CG 4.49Å; P48-F170 HydrophobicContact CG-CB 4.19Å; P48-F170 HydrophobicContact CG-CD1 4.08Å; P48-F170 HydrophobicContact CG-CD2 4.01Å; P48-F170 HydrophobicContact CG-CE1 4.48Å; P48-F170 HydrophobicContact CG-CE2 4.41Å; P48-F170 HydrophobicContact CG-CG 3.82Å; W167-F170 PolarHBondContact O-N 3.03Å; L168-F170 VanDerWaalsContact C-N 3.34Å; L168-F170 PolarHBondContact O-N 3.3Å; F170-M172 VanDerWaalsContact C-N 3.32Å; F170-M172 PolarHBondContact O-N 3.24Å; F170-L173 PolarHBondContact O-N 3.22Å; F170-C174 VanDerWaalsContact CZ-SG 3.57Å; F170-C174 PolarHBondContact O-N 2.89Å; F170-C174 PolarHBondContact O-SG 3.31Å; F170-C174 VanDerWaalsContact O-SG 3.42Å
171	V	96.8	Very high	95.5	Very high	88 Å²	88	71.4 Å²	71.4	53%	0.533	40%	0.4	S	S	.	.	H	α-helix	trans	-60.5	-42.4	177.9	172.4	0	0	0	0	111.3	W167 L168 C174 G175	W167-V171 WeakPolarHBondContact O-CG2 3.35Å; W167-V171 PolarHBondContact O-N 2.92Å; L168-V171 PolarHBondContact O-N 3.06Å; V171-C174 PolarHBondContact O-N 3.29Å; V171-G175 PolarHBondContact O-N 3.1Å
172	M	96.5	Very high	95.6	Very high	118 Å²	118	73 Å²	73	58%	0.581	40%	0.399	S	S	*	.	H	α-helix	trans	-61.7	-44.5	175.8	-75.3	-178.7	167.5	0	0	111.9	L168 P169 F170 G175 V176	L168-M172 HydrophobicContact CD1-CE 3.94Å; L168-M172 HydrophobicContact CD1-CG 4.36Å; L168-M172 HydrophobicContact CD2-CE 4.02Å; L168-M172 HydrophobicContact CG-CE 3.89Å; L168-M172 HydrophobicContact CG-CG 4.41Å; L168-M172 HydrophobicContact CG-SD 4.16Å; L168-M172 WeakPolarHBondContact O-CB 3.26Å; L168-M172 WeakPolarHBondContact O-CG 3.47Å; L168-M172 PolarHBondContact O-N 3.45Å; P169-M172 PolarHBondContact O-N 2.76Å; F170-M172 VanDerWaalsContact C-N 3.32Å; F170-M172 PolarHBondContact O-N 3.24Å; M172-G175 PolarHBondContact O-N 3.08Å; M172-V176 WeakPolarHBondContact O-CG2 3.46Å; M172-V176 PolarHBondContact O-N 3.41Å
173	L	95.4	Very high	95.6	Very high	80 Å²	80	76 Å²	76	42%	0.419	42%	0.416	S	S	.	.	H	α-helix	trans	-63	-44.6	178.3	-175	140.7	0	0	0	111.8	V46 P169 F170 G175 V176 L177	V46-L173 HydrophobicContact CG2-CD1 4.43Å; P169-L173 WeakPolarHBondContact O-CB 3.44Å; P169-L173 PolarHBondContact O-N 2.93Å; F170-L173 PolarHBondContact O-N 3.22Å; L173-G175 VanDerWaalsContact C-N 3.32Å; L173-G175 PolarHBondContact O-N 3.22Å; L173-V176 PolarHBondContact O-N 2.65Å; L173-L177 WeakPolarHBondContact O-CB 3.22Å; L173-L177 PolarHBondContact O-N 2.74Å
174	C	95.6	Very high	95.5	Very high	51 Å²	51	78.3 Å²	78.3	35%	0.345	43%	0.427	S	S	.	.	H	α-helix	trans	-60.6	-40.5	173.5	-69.5	0	0	0	0	112.1	F170 V171 L177 A178	F170-C174 VanDerWaalsContact CZ-SG 3.57Å; F170-C174 PolarHBondContact O-N 2.89Å; F170-C174 PolarHBondContact O-SG 3.31Å; F170-C174 VanDerWaalsContact O-SG 3.42Å; V171-C174 PolarHBondContact O-N 3.29Å; C174-L177 PolarHBondContact O-N 2.81Å; C174-A178 VanDerWaalsContact O-CB 3.25Å; C174-A178 WeakPolarHBondContact O-CB 3.42Å; C174-A178 PolarHBondContact O-N 2.88Å
175	G	96.8	Very high	95.4	Very high	35 Å²	35	79.2 Å²	79.2	36%	0.361	43%	0.432	S	S	.	.	H	α-helix	trans	-63.5	-43.9	177.7	0	0	0	0	0	113.2	V171 M172 L173 T179	V171-G175 PolarHBondContact O-N 3.1Å; M172-G175 PolarHBondContact O-N 3.08Å; L173-G175 VanDerWaalsContact C-N 3.32Å; L173-G175 PolarHBondContact O-N 3.22Å; G175-T179 WeakPolarHBondContact O-CB 3.42Å; G175-T179 PolarHBondContact O-N 3.46Å; G175-T179 PolarHBondContact O-OG1 3.06Å
176	V	96.3	Very high	95.2	Very high	105 Å²	105	80.8 Å²	80.8	64%	0.636	45%	0.445	S	S	*	.	H	α-helix	trans	-63.1	-46.8	175.3	172.5	0	0	0	0	110.7	M172 L173 T179 F180	M172-V176 WeakPolarHBondContact O-CG2 3.46Å; M172-V176 PolarHBondContact O-N 3.41Å; L173-V176 PolarHBondContact O-N 2.65Å; V176-T179 PolarHBondContact O-N 3.47Å; V176-F180 WeakPolarHBondContact O-CB 3.47Å; V176-F180 PolarHBondContact O-N 3.38Å
177	L	95.6	Very high	94	Very high	94 Å²	94	90.8 Å²	90.8	49%	0.492	49%	0.492	S	S	.	.	H	α-helix	trans	-61.7	-45.5	178.7	-179.3	62.8	0	0	0	111.7	L173 C174 T179 F180 I181	L173-L177 WeakPolarHBondContact O-CB 3.22Å; L173-L177 PolarHBondContact O-N 2.74Å; C174-L177 PolarHBondContact O-N 2.81Å; L177-T179 VanDerWaalsContact C-N 3.34Å; L177-T179 PolarHBondContact O-N 3.33Å; L177-F180 PolarHBondContact O-N 3.41Å; L177-I181 HydrophobicContact CD1-CD1 4Å; L177-I181 HydrophobicContact CD1-CG1 4.32Å; L177-I181 HydrophobicContact CG-CD1 3.85Å; L177-I181 WeakPolarHBondContact O-CB 3.18Å; L177-I181 VanDerWaalsContact O-CG1 3.25Å; L177-I181 WeakPolarHBondContact O-CG1 2.94Å; L177-I181 PolarHBondContact O-N 3.44Å
178	A	96.1	Very high	93.9	Very high	58 Å²	58	91.3 Å²	91.3	48%	0.479	50%	0.501	S	S	.	.	H	α-helix	trans	-61.4	-42.4	177.1	0	0	0	0	0	111.7	C174 I181 L182	C174-A178 VanDerWaalsContact O-CB 3.25Å; C174-A178 WeakPolarHBondContact O-CB 3.42Å; C174-A178 PolarHBondContact O-N 2.88Å; A178-I181 PolarHBondContact O-N 3.36Å; A178-L182 VanDerWaalsContact O-CB 3.29Å; A178-L182 WeakPolarHBondContact O-CB 3.15Å; A178-L182 PolarHBondContact O-N 2.99Å
179	T	95.8	Very high	93.8	Very high	88 Å²	88	92 Å²	92	54%	0.54	51%	0.506	S	S	.	.	H	α-helix	trans	-63.3	-45.8	176.9	-54.3	0	0	0	0	111	G175 V176 L177 L182 T183	G175-T179 WeakPolarHBondContact O-CB 3.42Å; G175-T179 PolarHBondContact O-N 3.46Å; G175-T179 PolarHBondContact O-OG1 3.06Å; V176-T179 PolarHBondContact O-N 3.47Å; L177-T179 VanDerWaalsContact C-N 3.34Å; L177-T179 PolarHBondContact O-N 3.33Å; T179-L182 PolarHBondContact O-N 3.05Å; T179-T183 WeakPolarHBondContact O-CG2 3.27Å; T179-T183 PolarHBondContact O-N 3.28Å; T179-T183 PolarHBondContact O-OG1 3.45Å
180	F	95.6	Very high	93.7	Very high	121 Å²	121	95.3 Å²	95.3	53%	0.531	52%	0.522	S	S	.	.	H	α-helix	trans	-60.3	-48.1	177.7	179.4	-103.6	0	0	0	112	V176 L177 L182 T183 L184	V176-F180 WeakPolarHBondContact O-CB 3.47Å; V176-F180 PolarHBondContact O-N 3.38Å; L177-F180 PolarHBondContact O-N 3.41Å; F180-L182 VanDerWaalsContact C-N 3.33Å; F180-L182 PolarHBondContact O-N 2.93Å; F180-T183 WeakPolarHBondContact CA-OG1 3.47Å; F180-T183 PolarHBondContact O-N 2.9Å; F180-T183 PolarHBondContact O-OG1 3.45Å; F180-L184 HydrophobicContact CD1-CD1 4.01Å; F180-L184 HydrophobicContact CE1-CD1 3.43Å; F180-L184 VanDerWaalsContact CE1-CD1 3.43Å; F180-L184 HydrophobicContact CE1-CG 4.31Å; F180-L184 HydrophobicContact CE2-CD1 4.36Å; F180-L184 HydrophobicContact CZ-CD1 3.63Å; F180-L184 HydrophobicContact CZ-CG 4.24Å; F180-L184 WeakPolarHBondContact O-CG 3.46Å; F180-L184 PolarHBondContact O-N 2.97Å
181	I	95.8	Very high	93.5	Very high	84 Å²	84	97.1 Å²	97.1	43%	0.431	54%	0.536	S	S	.	.	H	α-helix	trans	-58.7	-46.8	175.6	-68.2	167.2	0	0	0	110.1	L177 A178 T183 L184 N185	L177-I181 HydrophobicContact CD1-CD1 4Å; L177-I181 HydrophobicContact CD1-CG1 4.32Å; L177-I181 HydrophobicContact CG-CD1 3.85Å; L177-I181 WeakPolarHBondContact O-CB 3.18Å; L177-I181 VanDerWaalsContact O-CG1 3.25Å; L177-I181 WeakPolarHBondContact O-CG1 2.94Å; L177-I181 PolarHBondContact O-N 3.44Å; A178-I181 PolarHBondContact O-N 3.36Å; I181-T183 PolarHBondContact O-N 3.11Å; I181-L184 PolarHBondContact O-N 3.2Å; I181-N185 WeakPolarHBondContact CG2-ND2 3.31Å; I181-N185 PolarHBondContact O-N 3.26Å; I181-N185 VanDerWaalsContact O-N 3.08Å; I181-N185 PolarHBondContact O-ND2 3.13Å
182	L	95.9	Very high	93.3	Very high	101 Å²	101	97.7 Å²	97.7	53%	0.529	54%	0.537	S	S	.	.	H	α-helix	trans	-60.7	-45	179.3	-177.2	63.8	0	0	0	111.5	A178 T179 F180 L184 N185 L186	A178-L182 VanDerWaalsContact O-CB 3.29Å; A178-L182 WeakPolarHBondContact O-CB 3.15Å; A178-L182 PolarHBondContact O-N 2.99Å; T179-L182 PolarHBondContact O-N 3.05Å; F180-L182 VanDerWaalsContact C-N 3.33Å; F180-L182 PolarHBondContact O-N 2.93Å; L182-L184 VanDerWaalsContact C-N 3.33Å; L182-L184 PolarHBondContact O-N 3.22Å; L182-N185 PolarHBondContact O-N 2.93Å; L182-L186 HydrophobicContact CD1-CD1 3.78Å; L182-L186 HydrophobicContact CD1-CG 4.05Å; L182-L186 HydrophobicContact CD2-CD1 4.39Å; L182-L186 HydrophobicContact CG-CD1 3.72Å; L182-L186 HydrophobicContact CG-CG 4.34Å; L182-L186 VanDerWaalsContact O-CG 3.28Å; L182-L186 WeakPolarHBondContact O-CG 3.49Å; L182-L186 PolarHBondContact O-N 3.14Å
183	T	95.1	Very high	93.1	Very high	68 Å²	68	96.3 Å²	96.3	42%	0.417	53%	0.534	S	S	.	.	H	α-helix	trans	-61.4	-39.3	177.9	49.7	0	0	0	0	112.7	T179 F180 I181 N185 L186 Q187	T179-T183 WeakPolarHBondContact O-CG2 3.27Å; T179-T183 PolarHBondContact O-N 3.28Å; T179-T183 PolarHBondContact O-OG1 3.45Å; F180-T183 WeakPolarHBondContact CA-OG1 3.47Å; F180-T183 PolarHBondContact O-N 2.9Å; F180-T183 PolarHBondContact O-OG1 3.45Å; I181-T183 PolarHBondContact O-N 3.11Å; T183-N185 VanDerWaalsContact C-N 3.34Å; T183-N185 PolarHBondContact O-N 3.11Å; T183-L186 PolarHBondContact O-N 2.99Å; T183-Q187 WeakPolarHBondContact O-CG 3.45Å; T183-Q187 PolarHBondContact O-N 2.71Å
184	L	93.1	Very high	93	Very high	89 Å²	89	97.5 Å²	97.5	47%	0.466	54%	0.542	S	S	.	.	H	α-helix	trans	-69.2	-30.1	177.1	-70	179.8	0	0	0	113.4	F180 I181 L182	F180-L184 HydrophobicContact CD1-CD1 4.01Å; F180-L184 HydrophobicContact CE1-CD1 3.43Å; F180-L184 VanDerWaalsContact CE1-CD1 3.43Å; F180-L184 HydrophobicContact CE1-CG 4.31Å; F180-L184 HydrophobicContact CE2-CD1 4.36Å; F180-L184 HydrophobicContact CZ-CD1 3.63Å; F180-L184 HydrophobicContact CZ-CG 4.24Å; F180-L184 WeakPolarHBondContact O-CG 3.46Å; F180-L184 PolarHBondContact O-N 2.97Å; I181-L184 PolarHBondContact O-N 3.2Å; L182-L184 VanDerWaalsContact C-N 3.33Å; L182-L184 PolarHBondContact O-N 3.22Å
185	N	92.1	Very high	92.8	Very high	121 Å²	121	101.1 Å²	101.1	65%	0.647	56%	0.557	S	S	*	*	H	α-helix	trans	-84.3	-16.2	179	-77.2	-87.2	0	0	0	113.1	I181 L182 T183	I181-N185 WeakPolarHBondContact CG2-ND2 3.31Å; I181-N185 PolarHBondContact O-N 3.26Å; I181-N185 VanDerWaalsContact O-N 3.08Å; I181-N185 PolarHBondContact O-ND2 3.13Å; L182-N185 PolarHBondContact O-N 2.93Å; T183-N185 VanDerWaalsContact C-N 3.34Å; T183-N185 PolarHBondContact O-N 3.11Å
186	L	89.2	Confident	92.4	Very high	137 Å²	137	106.6 Å²	106.6	72%	0.717	57%	0.573	S	S	*	*			trans	-97.3	-4.7	177.1	-65.8	175.4	0	0	0	113.1	L182 T183	L182-L186 HydrophobicContact CD1-CD1 3.78Å; L182-L186 HydrophobicContact CD1-CG 4.05Å; L182-L186 HydrophobicContact CD2-CD1 4.39Å; L182-L186 HydrophobicContact CG-CD1 3.72Å; L182-L186 HydrophobicContact CG-CG 4.34Å; L182-L186 VanDerWaalsContact O-CG 3.28Å; L182-L186 WeakPolarHBondContact O-CG 3.49Å; L182-L186 PolarHBondContact O-N 3.14Å; T183-L186 PolarHBondContact O-N 2.99Å
187	Q	68.6	Low	92.1	Very high	213 Å²	213	106.7 Å²	106.7	100%	0.995	57%	0.568	S	S	*	*			trans	-88.8	0	169.8	-75.8	-177.7	-48.9	0	0	110.6	T183	T183-Q187 WeakPolarHBondContact O-CG 3.45Å; T183-Q187 PolarHBondContact O-N 2.71Å

Retrieved 187 of 187 residues in 37.7 ms (Link to these results)

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