A0A077YZF6_TRITR Loading...

ferroxidase

AlphaFold DB , UniProt , Accession A0A077YZF6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 156 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42	Very low	53.8	Low	243 Å²	243	156.5 Å²	156.5	100%	1.197	81%	0.807	S	S	*	*				0	106	0	-85.9	164.1	173.9	0	0	108.4	C3	M1-C3 PolarHBondContact O-N 2.93Å
2	V	40.7	Very low	54.2	Low	143 Å²	143	162 Å²	162	87%	0.867	81%	0.81	S	S	*	*			trans	-84.8	96.6	-179.8	-176.3	0	0	0	0	107.6	T4	V2-T4 PolarHBondContact O-N 3.08Å
3	C	47.2	Very low	54.4	Low	118 Å²	118	163.5 Å²	163.5	80%	0.797	80%	0.802	S	S	*	*			trans	-73	111.3	174.3	-164.8	0	0	0	0	108.2	M1 M5	M1-C3 PolarHBondContact O-N 2.93Å; C3-M5 PolarHBondContact O-N 2.85Å; C3-M5 VanDerWaalsContact O-N 3.11Å
4	T	51.3	Low	53.8	Low	126 Å²	126	162.9 Å²	162.9	77%	0.773	80%	0.799	S	S	*	*			trans	-75.8	99.2	178.9	45.3	0	0	0	0	109.5	V2 K6	V2-T4 PolarHBondContact O-N 3.08Å; T4-K6 PolarHBondContact O-N 3.11Å; T4-K6 VanDerWaalsContact O-N 3.15Å
5	M	54	Low	54	Low	177 Å²	177	167.6 Å²	167.6	87%	0.872	81%	0.805	S	S	*	*			trans	-62.9	112.1	171.7	-77	169.3	103.4	0	0	109.7	C3 R7	C3-M5 PolarHBondContact O-N 2.85Å; C3-M5 VanDerWaalsContact O-N 3.11Å; M5-R7 PolarHBondContact O-N 3.1Å
6	K	53	Low	53.7	Low	204 Å²	204	165.5 Å²	165.5	89%	0.887	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-62.5	124.2	166	-73.9	-166.5	174.8	-164.1	0	108.7	T4	T4-K6 PolarHBondContact O-N 3.11Å; T4-K6 VanDerWaalsContact O-N 3.15Å
7	R	61.7	Low	53.4	Low	208 Å²	208	160.6 Å²	160.6	79%	0.785	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-61	136.2	-178.1	-66.8	-177	175.9	-143.1	-0.1	110.8	M5	M5-R7 PolarHBondContact O-N 3.1Å
8	P	57.9	Low	52.9	Low	101 Å²	101	156 Å²	156	66%	0.656	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-62.4	140.7	177.8	-21	31.6	0	0	0	112.6	W10 L11	P8-W10 PolarHBondContact O-N 2.95Å; P8-W10 VanDerWaalsContact O-N 3.07Å; P8-L11 PolarHBondContact O-N 2.99Å
9	A	60.8	Low	52.2	Low	85 Å²	85	157.3 Å²	157.3	70%	0.702	82%	0.815	S	S	*	*	G	3₁₀ helix	trans	-59.5	-21.1	-175.1	0	0	0	0	0	114.9	L11 R12	A9-L11 PolarHBondContact O-N 3.36Å; A9-R12 PolarHBondContact O-N 2.76Å
10	W	61.2	Low	51.7	Low	219 Å²	219	159.2 Å²	159.2	83%	0.83	82%	0.816	S	S	*	*	G	3₁₀ helix	trans	-63.5	-19.2	179.8	-75.5	97	0	0	0	114.2	P8 R12 Y13	P8-W10 PolarHBondContact O-N 2.95Å; P8-W10 VanDerWaalsContact O-N 3.07Å; W10-R12 PolarHBondContact O-N 3.11Å; W10-Y13 PolarHBondContact O-N 2.91Å
11	L	61.4	Low	51	Low	97 Å²	97	159.5 Å²	159.5	51%	0.508	81%	0.814	S	S	.	*	G	3₁₀ helix	trans	-66.9	-18.5	178.2	-153.8	72.9	0	0	0	113.2	P8 A9 Y13 M14	P8-L11 PolarHBondContact O-N 2.99Å; A9-L11 PolarHBondContact O-N 3.36Å; L11-Y13 VanDerWaalsContact C-N 3.27Å; L11-Y13 PolarHBondContact O-N 3Å; L11-M14 HydrophobicContact CD1-SD 4.33Å
12	R	59.3	Low	50.9	Low	223 Å²	223	153.8 Å²	153.8	84%	0.842	80%	0.796	S	S	*	*	G	3₁₀ helix	trans	-71.5	-18.1	179.2	-175.4	164.9	173.1	141.4	-3.4	113.8	A9 W10	A9-R12 PolarHBondContact O-N 2.76Å; W10-R12 PolarHBondContact O-N 3.11Å
13	Y	56.3	Low	50.9	Low	182 Å²	182	158.2 Å²	158.2	71%	0.714	80%	0.797	S	S	*	*	G	3₁₀ helix	trans	-98.1	6.3	-174.8	-64.4	-77.2	0	0	0	114.2	W10 L11 R15	W10-Y13 PolarHBondContact O-N 2.91Å; L11-Y13 VanDerWaalsContact C-N 3.27Å; L11-Y13 PolarHBondContact O-N 3Å; Y13-R15 VanDerWaalsContact C-N 3.3Å; Y13-R15 PolarHBondContact O-N 2.73Å
14	M	46.2	Very low	50.4	Low	154 Å²	154	163.8 Å²	163.8	76%	0.759	80%	0.801	S	S	*	*			trans	-77.3	82	170.4	-67.3	-164.5	174.3	0	0	110.2	L11	L11-M14 HydrophobicContact CD1-SD 4.33Å
15	R	56.2	Low	50.2	Low	234 Å²	234	162.7 Å²	162.7	88%	0.883	80%	0.799	S	S	*	*			trans	-74.9	135	157.6	-83	-167.6	-176.6	-163	2.6	108.9	Y13 G17	Y13-R15 VanDerWaalsContact C-N 3.3Å; Y13-R15 PolarHBondContact O-N 2.73Å; R15-G17 PolarHBondContact O-N 2.75Å
16	P	49.7	Very low	50	Low	134 Å²	134	159.5 Å²	159.5	87%	0.87	79%	0.794	S	S	*	*	S	Bend	trans	-75.9	122.8	177.5	12.8	-0.5	0	0	0	109.6
17	G	48.3	Very low	49.8	Very low	82 Å²	82	155.2 Å²	155.2	85%	0.845	79%	0.785	S	S	*	*			trans	103.7	94.4	171.6	0	0	0	0	0	113.6	R15	R15-G17 PolarHBondContact O-N 2.75Å
18	G	44.8	Very low	49.3	Very low	78 Å²	78	150.9 Å²	150.9	80%	0.804	78%	0.776	S	S	*	*			trans	164.3	70.3	174.3	0	0	0	0	0	113.5
19	M	39.8	Very low	49	Very low	180 Å²	180	153.2 Å²	153.2	89%	0.887	78%	0.783	S	S	*	*			trans	-63.2	127.4	167	-160.4	-172.3	-67.1	0	0	109.1
20	K	42	Very low	48.6	Very low	195 Å²	195	157 Å²	157	85%	0.848	78%	0.783	S	S	*	*			trans	-165.4	117.6	134.8	-72.7	-132.2	-173.4	-64.5	0	111.2
21	Q	36.4	Very low	47.8	Very low	166 Å²	166	155.1 Å²	155.1	78%	0.776	78%	0.781	S	S	*	*			trans	-61.4	146.5	157.7	-67.2	-81	3.6	0	0	109.6
22	P	41.4	Very low	47.3	Very low	124 Å²	124	155 Å²	155	81%	0.805	78%	0.784	S	S	*	*			trans	-123.5	95.6	130.8	24.8	-10.3	0	0	0	109.3	R24	P22-R24 VanDerWaalsContact C-N 3.28Å; P22-R24 PolarHBondContact O-N 3.13Å
23	W	40.9	Very low	46.8	Very low	235 Å²	235	151.9 Å²	151.9	89%	0.89	78%	0.784	S	S	*	*			trans	-72.6	84.2	166.4	-166.7	27.7	0	0	0	108.3
24	R	36.5	Very low	46.7	Very low	235 Å²	235	147 Å²	147	89%	0.887	78%	0.777	S	S	*	*			trans	-145.4	63.7	162.3	-70.2	-152.3	-171.4	-71.5	1.4	110.4	P22 S26	P22-R24 VanDerWaalsContact C-N 3.28Å; P22-R24 PolarHBondContact O-N 3.13Å; R24-S26 PolarHBondContact O-N 3.39Å
25	S	47	Very low	47.2	Very low	103 Å²	103	146.5 Å²	146.5	72%	0.72	78%	0.776	S	S	*	*			trans	-79.8	100.9	148.7	-62.4	0	0	0	0	105.8	V27	S25-V27 PolarHBondContact O-N 2.83Å
26	S	48.5	Very low	47.2	Very low	110 Å²	110	139.6 Å²	139.6	77%	0.769	77%	0.769	S	S	*	*			trans	-60.5	81.8	160.1	-163.3	0	0	0	0	106.4	R24 L28	R24-S26 PolarHBondContact O-N 3.39Å; S26-L28 PolarHBondContact O-N 2.72Å
27	V	50.4	Low	48.1	Very low	115 Å²	115	135.5 Å²	135.5	70%	0.697	74%	0.741	S	S	*	*			trans	-71.2	95.2	168.7	178.8	0	0	0	0	103.5	S25 L29	S25-V27 PolarHBondContact O-N 2.83Å; V27-L29 VanDerWaalsContact C-N 3.29Å; V27-L29 PolarHBondContact O-N 2.78Å
28	L	50.4	Low	49.7	Very low	116 Å²	116	139.9 Å²	139.9	61%	0.607	74%	0.737	S	S	*	*			trans	-44.5	105.3	162.5	-70.2	166.4	0	0	0	105.8	S26 F30	S26-L28 PolarHBondContact O-N 2.72Å; L28-F30 HydrophobicContact CB-CD2 4.21Å; L28-F30 HydrophobicContact CB-CE1 4.44Å; L28-F30 HydrophobicContact CB-CE2 3.77Å; L28-F30 HydrophobicContact CB-CZ 3.9Å; L28-F30 HydrophobicContact CD1-CE2 4.47Å; L28-F30 HydrophobicContact CD1-CZ 3.95Å; L28-F30 VanDerWaalsContact O-CD2 3.22Å; L28-F30 WeakPolarHBondContact O-CD2 3.47Å; L28-F30 PolarHBondContact O-N 2.76Å
29	L	50.7	Low	51.6	Low	151 Å²	151	139.3 Å²	139.3	79%	0.791	72%	0.719	S	S	*	*			trans	-68.9	82.7	172.9	-151.6	92	0	0	0	104.3	V27 K31	V27-L29 VanDerWaalsContact C-N 3.29Å; V27-L29 PolarHBondContact O-N 2.78Å; L29-K31 PolarHBondContact O-N 2.83Å
30	F	53.2	Low	53.7	Low	163 Å²	163	135 Å²	135	72%	0.715	70%	0.697	S	S	*	*			trans	-60.3	98.4	165.5	-62.5	-78.3	0	0	0	104.3	L28 T32	L28-F30 HydrophobicContact CB-CD2 4.21Å; L28-F30 HydrophobicContact CB-CE1 4.44Å; L28-F30 HydrophobicContact CB-CE2 3.77Å; L28-F30 HydrophobicContact CB-CZ 3.9Å; L28-F30 HydrophobicContact CD1-CE2 4.47Å; L28-F30 HydrophobicContact CD1-CZ 3.95Å; L28-F30 VanDerWaalsContact O-CD2 3.22Å; L28-F30 WeakPolarHBondContact O-CD2 3.47Å; L28-F30 PolarHBondContact O-N 2.76Å; F30-T32 HydrophobicContact CB-CG2 4.27Å; F30-T32 PolarHBondContact O-N 2.93Å
31	K	44.8	Very low	55.9	Low	180 Å²	180	131.4 Å²	131.4	78%	0.783	69%	0.693	S	S	*	*			trans	-60.7	77.3	157.4	-83.1	-177.7	172.4	-174.4	0	105.5	L29 N33	L29-K31 PolarHBondContact O-N 2.83Å; K31-N33 PolarHBondContact O-N 3Å; K31-N33 VanDerWaalsContact O-N 3.13Å
32	T	50.2	Low	58.6	Low	95 Å²	95	124.6 Å²	124.6	58%	0.583	66%	0.662	S	S	*	*			trans	-63.4	114	154.8	68.3	0	0	0	0	102.9	F30 S34	F30-T32 HydrophobicContact CB-CG2 4.27Å; F30-T32 PolarHBondContact O-N 2.93Å; T32-S34 PolarHBondContact O-N 2.9Å; T32-S34 PolarHBondContact O-OG 2.77Å; T32-S34 PolarHBondContact OG1-OG 3.27Å
33	N	49.8	Very low	61.1	Low	157 Å²	157	122.6 Å²	122.6	84%	0.84	65%	0.645	S	S	*	*			trans	-65.7	61.5	155.7	-92.4	17	0	0	0	106.4	K31 I35	K31-N33 PolarHBondContact O-N 3Å; K31-N33 VanDerWaalsContact O-N 3.13Å; N33-I35 VanDerWaalsContact C-N 3.3Å; N33-I35 PolarHBondContact O-N 3.4Å; N33-I35 VanDerWaalsContact O-N 3.11Å
34	S	54.5	Low	63.7	Low	79 Å²	79	115.1 Å²	115.1	55%	0.552	63%	0.629	S	S	*	*			trans	-72.5	100.8	161.7	35.9	0	0	0	0	103.1	T32 A36	T32-S34 PolarHBondContact O-N 2.9Å; T32-S34 PolarHBondContact O-OG 2.77Å; T32-S34 PolarHBondContact OG1-OG 3.27Å; S34-A36 PolarHBondContact O-N 3.37Å
35	I	56.1	Low	66.6	Low	144 Å²	144	107 Å²	107	74%	0.738	61%	0.611	S	S	*	*			trans	-61.3	90.1	158.6	-49.3	173.7	0	0	0	103.1	N33 T37	N33-I35 VanDerWaalsContact C-N 3.3Å; N33-I35 PolarHBondContact O-N 3.4Å; N33-I35 VanDerWaalsContact O-N 3.11Å; I35-T37 HydrophobicContact CB-CG2 4.1Å; I35-T37 HydrophobicContact CG2-CG2 3.28Å; I35-T37 PolarHBondContact O-N 3.47Å
36	A	55.9	Low	68.9	Low	90 Å²	90	105.8 Å²	105.8	74%	0.744	60%	0.595	S	S	*	*			trans	-71.9	73.8	174.2	0	0	0	0	0	105.7	S34 K38	S34-A36 PolarHBondContact O-N 3.37Å; A36-K38 PolarHBondContact O-N 3.1Å
37	T	68.6	Low	71.3	Confident	47 Å²	47	100.6 Å²	100.6	29%	0.288	56%	0.558	S	S	.	*			trans	-69	102.9	176.5	59.1	0	0	0	0	106	I35 V121	I35-T37 HydrophobicContact CB-CG2 4.1Å; I35-T37 HydrophobicContact CG2-CG2 3.28Å; I35-T37 PolarHBondContact O-N 3.47Å; T37-V121 HydrophobicContact CG2-CG1 4.36Å; T37-V121 WeakPolarHBondContact OG1-CG1 3.41Å
38	K	82.1	Confident	73.5	Confident	175 Å²	175	98.5 Å²	98.5	76%	0.761	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-62.2	134.1	-178.7	-174.2	-177.5	176.2	-175.6	0	109	A36 Q40	A36-K38 PolarHBondContact O-N 3.1Å; K38-Q40 PolarHBondContact O-N 3.33Å
39	P	84.2	Confident	75.7	Confident	66 Å²	66	100.2 Å²	100.2	43%	0.429	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-49.3	132.7	172.6	-29.5	36.2	0	0	0	112.4	D119	P39-D119 HydrophobicContact CB-CB 4.08Å; P39-D119 HydrophobicContact CG-CB 3.98Å
40	Q	85.2	Confident	78	Confident	89 Å²	89	94.7 Å²	94.7	42%	0.416	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-71.3	131.6	177.4	-66.4	-69.3	-18.3	0	0	109.1	K38 L42 Y120 D122	K38-Q40 PolarHBondContact O-N 3.33Å; Q40-L42 PolarHBondContact O-N 3.49Å; Q40-Y120 HydrophobicContact CB-CD1 4.47Å; Q40-Y120 PolarHBondContact N-O 2.95Å; Q40-D122 PolarHBondContact NE2-OD1 3.04Å
41	P	87.6	Confident	80.1	Confident	119 Å²	119	87 Å²	87	77%	0.773	48%	0.476	S	S	*	.			trans	-70.3	98.2	175.4	28.4	-32.3	0	0	0	109.6
42	L	92	Very high	82.6	Confident	23 Å²	23	82.5 Å²	82.5	12%	0.12	46%	0.458	C	S	.	.			trans	-86	139.7	174.9	-64.6	179.8	0	0	0	110.8	Q40 Q46 Y47 L50 K104 Y120	Q40-L42 PolarHBondContact O-N 3.49Å; L42-Q46 HydrophobicContact CD2-CB 4.22Å; L42-Y47 HydrophobicContact CD1-CD2 4.48Å; L42-L50 HydrophobicContact CD1-CD1 4.1Å; L42-L50 HydrophobicContact CD2-CD1 3.9Å; L42-K104 HydrophobicContact CB-CD 4.26Å; L42-K104 WeakPolarHBondContact O-CD 3.17Å; L42-K104 VanDerWaalsContact O-CE 3.3Å; L42-K104 WeakPolarHBondContact O-CE 3.17Å; L42-K104 PolarHBondContact O-NZ 2.92Å; L42-Y120 HydrophobicContact CD1-CD1 4.07Å; L42-Y120 HydrophobicContact CD1-CG 3.98Å; L42-Y120 HydrophobicContact CD2-CD1 3.98Å; L42-Y120 HydrophobicContact CD2-CE1 4.48Å; L42-Y120 HydrophobicContact CG-CD1 4.38Å
43	N	95.7	Very high	84.8	Confident	82 Å²	82	82.8 Å²	82.8	44%	0.439	45%	0.453	S	S	.	.			trans	-78.2	166.1	160.7	75.6	45.3	0	0	0	110.6	A45 Q46 Y47	N43-A45 VanDerWaalsContact C-N 3.33Å; N43-A45 PolarHBondContact O-N 3.01Å; N43-A45 PolarHBondContact OD1-N 2.97Å; N43-A45 VanDerWaalsContact OD1-N 3.08Å; N43-Q46 VanDerWaalsContact ND2-CD 3.34Å; N43-Q46 PolarHBondContact ND2-OE1 3.37Å; N43-Q46 VanDerWaalsContact ND2-OE1 3.1Å; N43-Q46 PolarHBondContact O-N 2.98Å; N43-Q46 WeakPolarHBondContact OD1-CG 3.41Å; N43-Q46 PolarHBondContact OD1-N 3.15Å; N43-Y47 PolarHBondContact O-N 2.71Å
44	S	95.1	Very high	87	Confident	79 Å²	79	75.9 Å²	75.9	55%	0.552	42%	0.416	S	S	*	.	H	α-helix	trans	-62.2	-37.8	-174.1	-51.3	0	0	0	0	113.1	E48	S44-E48 WeakPolarHBondContact O-CB 3.4Å; S44-E48 PolarHBondContact O-N 3.28Å
45	A	96.2	Very high	89.1	Confident	63 Å²	63	72.1 Å²	72.1	52%	0.521	39%	0.389	S	S	.	.	H	α-helix	trans	-70.8	-38.4	179.1	0	0	0	0	0	112.5	N43 E48 R49	N43-A45 VanDerWaalsContact C-N 3.33Å; N43-A45 PolarHBondContact O-N 3.01Å; N43-A45 PolarHBondContact OD1-N 2.97Å; N43-A45 VanDerWaalsContact OD1-N 3.08Å; A45-E48 PolarHBondContact O-N 2.83Å; A45-R49 WeakPolarHBondContact O-CB 3.32Å; A45-R49 PolarHBondContact O-N 2.87Å; A45-R49 VanDerWaalsContact O-N 3.1Å
46	Q	96.5	Very high	91	Very high	79 Å²	79	68.2 Å²	68.2	37%	0.369	37%	0.37	S	S	.	.	H	α-helix	trans	-64	-46.5	173.9	-73	172	-46.6	0	0	111.2	L42 N43 R49 L50	L42-Q46 HydrophobicContact CD2-CB 4.22Å; N43-Q46 VanDerWaalsContact ND2-CD 3.34Å; N43-Q46 PolarHBondContact ND2-OE1 3.37Å; N43-Q46 VanDerWaalsContact ND2-OE1 3.1Å; N43-Q46 PolarHBondContact O-N 2.98Å; N43-Q46 WeakPolarHBondContact OD1-CG 3.41Å; N43-Q46 PolarHBondContact OD1-N 3.15Å; Q46-R49 PolarHBondContact O-N 2.82Å; Q46-L50 WeakPolarHBondContact O-CB 3.4Å; Q46-L50 VanDerWaalsContact O-CG 3.26Å; Q46-L50 WeakPolarHBondContact O-CG 3.26Å; Q46-L50 PolarHBondContact O-N 3.36Å
47	Y	97.4	Very high	92.9	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-57.1	-50.5	175.4	166.8	-95.8	0	0	0	111.1	L42 N43 R49 L50 A51 K99 Q100 T101 K104 Q105 W125	L42-Y47 HydrophobicContact CD1-CD2 4.48Å; N43-Y47 PolarHBondContact O-N 2.71Å; Y47-R49 VanDerWaalsContact C-N 3.31Å; Y47-R49 PolarHBondContact O-N 2.8Å; Y47-L50 PolarHBondContact O-N 3.32Å; Y47-A51 HydrophobicContact CD2-CB 4.46Å; Y47-A51 HydrophobicContact CE1-CB 4.18Å; Y47-A51 HydrophobicContact CE2-CB 4Å; Y47-A51 WeakPolarHBondContact O-CB 3.33Å; Y47-A51 PolarHBondContact O-N 2.74Å; Y47-K99 WeakPolarHBondContact OH-CA 3.21Å; Y47-Q100 PolarHBondContact OH-N 2.62Å; Y47-T101 HydrophobicContact CD1-CG2 4.32Å; Y47-T101 VanDerWaalsContact CE1-CA 3.5Å; Y47-T101 HydrophobicContact CE1-CG2 4.17Å; Y47-K104 HydrophobicContact CD1-CG 4.4Å; Y47-K104 HydrophobicContact CD2-CB 3.55Å; Y47-K104 HydrophobicContact CD2-CG 4.18Å; Y47-K104 WeakPolarHBondContact CD2-O 3.46Å; Y47-K104 HydrophobicContact CE2-CB 4.15Å; Y47-K104 WeakPolarHBondContact CE2-O 3.22Å; Y47-K104 HydrophobicContact CG-CB 3.8Å; Y47-K104 HydrophobicContact CG-CG 3.88Å; Y47-Q105 PolarHBondContact OH-O 2.83Å; Y47-W125 AromaticContact CD2-CH2 3.73Å; Y47-W125 HydrophobicContact CD2-CH2 3.73Å; Y47-W125 AromaticContact CE2-CH2 3.61Å; Y47-W125 HydrophobicContact CE2-CH2 3.61Å; Y47-W125 HydrophobicContact CE2-CZ3 4.23Å
48	E	97.4	Very high	94.2	Very high	72 Å²	72	63.3 Å²	63.3	34%	0.336	33%	0.332	S	S	.	.	H	α-helix	trans	-59.9	-44.2	-176	-170.1	59.1	-146	0	0	111.4	S44 A45 H52 K99	S44-E48 WeakPolarHBondContact O-CB 3.4Å; S44-E48 PolarHBondContact O-N 3.28Å; A45-E48 PolarHBondContact O-N 2.83Å; E48-H52 WeakPolarHBondContact O-CB 3.3Å; E48-H52 PolarHBondContact O-N 3.17Å; E48-K99 IonicContact OE1-NZ 2.68Å; E48-K99 PolarHBondContact OE1-NZ 2.68Å
49	R	97.4	Very high	94.9	Very high	152 Å²	152	55.3 Å²	55.3	57%	0.574	30%	0.298	S	S	*	.	H	α-helix	trans	-59.8	-54.9	175.3	-175.2	-173.3	-60.3	137.4	0.6	111.9	A45 Q46 Y47 A51 H52 E53	A45-R49 WeakPolarHBondContact O-CB 3.32Å; A45-R49 PolarHBondContact O-N 2.87Å; A45-R49 VanDerWaalsContact O-N 3.1Å; Q46-R49 PolarHBondContact O-N 2.82Å; Y47-R49 VanDerWaalsContact C-N 3.31Å; Y47-R49 PolarHBondContact O-N 2.8Å; R49-A51 VanDerWaalsContact C-N 3.33Å; R49-A51 PolarHBondContact O-N 3.49Å; R49-H52 PolarHBondContact O-N 2.88Å; R49-E53 WeakPolarHBondContact CD-OE1 3.48Å; R49-E53 HydrophobicContact CG-CG 4.46Å; R49-E53 WeakPolarHBondContact CG-OE1 3.44Å; R49-E53 WeakPolarHBondContact O-CB 3.48Å; R49-E53 WeakPolarHBondContact O-CG 3.2Å; R49-E53 PolarHBondContact O-N 2.93Å
50	L	97.5	Very high	95.4	Very high	35 Å²	35	57.2 Å²	57.2	18%	0.183	30%	0.301	C	S	.	.	H	α-helix	trans	-65.3	-35.5	-176.2	-69.4	168.3	0	0	0	112.9	L42 Q46 Y47 L54 Y120 W125	L42-L50 HydrophobicContact CD1-CD1 4.1Å; L42-L50 HydrophobicContact CD2-CD1 3.9Å; Q46-L50 WeakPolarHBondContact O-CB 3.4Å; Q46-L50 VanDerWaalsContact O-CG 3.26Å; Q46-L50 WeakPolarHBondContact O-CG 3.26Å; Q46-L50 PolarHBondContact O-N 3.36Å; Y47-L50 PolarHBondContact O-N 3.32Å; L50-L54 WeakPolarHBondContact O-CB 3.44Å; L50-L54 PolarHBondContact O-N 3.33Å; L50-L54 VanDerWaalsContact O-N 3.15Å; L50-Y120 HydrophobicContact CB-CE2 4.48Å; L50-Y120 HydrophobicContact CD1-CD1 3.99Å; L50-Y120 HydrophobicContact CD1-CD2 4.28Å; L50-Y120 HydrophobicContact CD1-CE1 3.63Å; L50-Y120 HydrophobicContact CD1-CE2 3.96Å; L50-Y120 HydrophobicContact CD1-CG 4.28Å; L50-Y120 HydrophobicContact CD2-CE2 4.15Å; L50-Y120 WeakPolarHBondContact CD2-OH 3.43Å; L50-Y120 HydrophobicContact CG-CE2 4.44Å; L50-W125 HydrophobicContact CB-CZ2 4.13Å
51	A	97.8	Very high	95.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-70.4	-41.1	177.1	0	0	0	0	0	111.3	Y47 R49 L55 K99 I106 W125	Y47-A51 HydrophobicContact CD2-CB 4.46Å; Y47-A51 HydrophobicContact CE1-CB 4.18Å; Y47-A51 HydrophobicContact CE2-CB 4Å; Y47-A51 WeakPolarHBondContact O-CB 3.33Å; Y47-A51 PolarHBondContact O-N 2.74Å; R49-A51 VanDerWaalsContact C-N 3.33Å; R49-A51 PolarHBondContact O-N 3.49Å; A51-L55 WeakPolarHBondContact O-CG 3.14Å; A51-L55 PolarHBondContact O-N 2.79Å; A51-L55 VanDerWaalsContact O-N 3.13Å; A51-K99 HydrophobicContact CB-CD 3.84Å; A51-K99 HydrophobicContact CB-CG 4.09Å; A51-I106 HydrophobicContact CB-CD1 3.83Å; A51-W125 HydrophobicContact CB-CZ2 4.21Å
52	H	96.8	Very high	96.2	Very high	86 Å²	86	48.1 Å²	48.1	40%	0.398	25%	0.25	S	C	.	.	H	α-helix	trans	-65.2	-50.7	175	-178.9	56.6	0	0	0	111.3	E48 R49 L54 L55 D56 Y79	E48-H52 WeakPolarHBondContact O-CB 3.3Å; E48-H52 PolarHBondContact O-N 3.17Å; R49-H52 PolarHBondContact O-N 2.88Å; H52-L54 VanDerWaalsContact C-N 3.26Å; H52-L54 PolarHBondContact O-N 2.96Å; H52-L55 PolarHBondContact O-N 3.2Å; H52-L55 VanDerWaalsContact O-N 3.12Å; H52-D56 WeakPolarHBondContact O-CB 3.06Å; H52-D56 PolarHBondContact O-N 3.07Å; H52-Y79 PolarHBondContact ND1-OH 2.63Å
53	E	96.4	Very high	96.3	Very high	102 Å²	102	52.4 Å²	52.4	48%	0.477	27%	0.269	S	S	.	.	H	α-helix	trans	-54	-41.6	176.8	-74.2	170.2	-173.9	0	0	112.4	R49 S57	R49-E53 WeakPolarHBondContact CD-OE1 3.48Å; R49-E53 HydrophobicContact CG-CG 4.46Å; R49-E53 WeakPolarHBondContact CG-OE1 3.44Å; R49-E53 WeakPolarHBondContact O-CB 3.48Å; R49-E53 WeakPolarHBondContact O-CG 3.2Å; R49-E53 PolarHBondContact O-N 2.93Å; E53-S57 VanDerWaalsContact O-CB 3.27Å; E53-S57 WeakPolarHBondContact O-CB 3.35Å; E53-S57 PolarHBondContact O-N 3.26Å; E53-S57 VanDerWaalsContact O-N 3.16Å
54	L	97.2	Very high	96.2	Very high	11 Å²	11	53.8 Å²	53.8	6%	0.058	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-51.6	176.1	175.3	69.1	0	0	0	112.1	L50 H52 L58 I106 W125 L134 K135	L50-L54 WeakPolarHBondContact O-CB 3.44Å; L50-L54 PolarHBondContact O-N 3.33Å; L50-L54 VanDerWaalsContact O-N 3.15Å; H52-L54 VanDerWaalsContact C-N 3.26Å; H52-L54 PolarHBondContact O-N 2.96Å; L54-L58 HydrophobicContact CD1-CD1 4.13Å; L54-L58 HydrophobicContact CD1-CG 4.42Å; L54-L58 HydrophobicContact CG-CD1 4.08Å; L54-L58 VanDerWaalsContact O-CG 3.27Å; L54-L58 WeakPolarHBondContact O-CG 3.19Å; L54-L58 PolarHBondContact O-N 3.16Å; L54-I106 HydrophobicContact CD2-CG1 4.06Å; L54-I106 HydrophobicContact CD2-CG2 4.39Å; L54-W125 HydrophobicContact CD2-CB 4.43Å; L54-W125 HydrophobicContact CD2-CD2 4.2Å; L54-W125 HydrophobicContact CD2-CG 3.71Å; L54-L134 HydrophobicContact CD1-CD2 4.2Å; L54-L134 HydrophobicContact CD2-CD2 3.4Å; L54-L134 HydrophobicContact CG-CD2 4.16Å; L54-K135 HydrophobicContact CD1-CD 4.43Å; L54-K135 HydrophobicContact CD1-CG 4.24Å
55	L	97.6	Very high	96.1	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-70.3	-36.9	-173.6	-72.8	175.7	0	0	0	111.9	A51 H52 L58 C59 Y79 L84 I97 K99	A51-L55 WeakPolarHBondContact O-CG 3.14Å; A51-L55 PolarHBondContact O-N 2.79Å; A51-L55 VanDerWaalsContact O-N 3.13Å; H52-L55 PolarHBondContact O-N 3.2Å; H52-L55 VanDerWaalsContact O-N 3.12Å; L55-L58 PolarHBondContact O-N 2.86Å; L55-C59 WeakPolarHBondContact O-CB 3.49Å; L55-C59 PolarHBondContact O-N 3.13Å; L55-Y79 HydrophobicContact CB-CE2 3.96Å; L55-Y79 HydrophobicContact CD1-CE2 4Å; L55-L84 HydrophobicContact CD2-CB 3.96Å; L55-L84 HydrophobicContact CD2-CD2 4.24Å; L55-I97 HydrophobicContact CD2-CB 3.97Å; L55-I97 HydrophobicContact CD2-CG2 3.6Å; L55-K99 HydrophobicContact CD1-CD 4.09Å; L55-K99 HydrophobicContact CD1-CG 3.47Å; L55-K99 VanDerWaalsContact CD1-CG 3.47Å
56	D	96.1	Very high	95.8	Very high	63 Å²	63	49.8 Å²	49.8	34%	0.337	24%	0.243	S	C	.	.	H	α-helix	trans	-62	-51.2	175.5	-164.7	62.6	0	0	0	110.4	H52 L58 C59 E60	H52-D56 WeakPolarHBondContact O-CB 3.06Å; H52-D56 PolarHBondContact O-N 3.07Å; D56-L58 VanDerWaalsContact C-N 3.3Å; D56-L58 PolarHBondContact O-N 3.12Å; D56-C59 WeakPolarHBondContact O-CA 3.33Å; D56-C59 WeakPolarHBondContact O-CB 3.47Å; D56-C59 PolarHBondContact O-N 3.24Å; D56-E60 WeakPolarHBondContact O-CG 3.21Å; D56-E60 PolarHBondContact O-N 2.68Å
57	S	95.7	Very high	95.6	Very high	34 Å²	34	52.9 Å²	52.9	24%	0.238	26%	0.262	C	S	.	.	H	α-helix	trans	-58.9	-37.6	175.6	176.3	0	0	0	0	113.4	E53 T61	E53-S57 VanDerWaalsContact O-CB 3.27Å; E53-S57 WeakPolarHBondContact O-CB 3.35Å; E53-S57 PolarHBondContact O-N 3.26Å; E53-S57 VanDerWaalsContact O-N 3.16Å; S57-T61 WeakPolarHBondContact O-CB 3.14Å; S57-T61 PolarHBondContact O-N 3.38Å; S57-T61 PolarHBondContact O-OG1 3.47Å
58	L	96.7	Very high	95.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-69.1	-41.6	174.4	-72	173.8	0	0	0	111.5	L54 L55 D56 T61 F62 L84 I97 L134 L138 F156	L54-L58 HydrophobicContact CD1-CD1 4.13Å; L54-L58 HydrophobicContact CD1-CG 4.42Å; L54-L58 HydrophobicContact CG-CD1 4.08Å; L54-L58 VanDerWaalsContact O-CG 3.27Å; L54-L58 WeakPolarHBondContact O-CG 3.19Å; L54-L58 PolarHBondContact O-N 3.16Å; L55-L58 PolarHBondContact O-N 2.86Å; D56-L58 VanDerWaalsContact C-N 3.3Å; D56-L58 PolarHBondContact O-N 3.12Å; L58-T61 PolarHBondContact O-N 2.9Å; L58-F62 HydrophobicContact CB-CE2 4.08Å; L58-F62 HydrophobicContact CD2-CZ 4.21Å; L58-F62 WeakPolarHBondContact O-CD2 3.16Å; L58-F62 WeakPolarHBondContact O-CG 3.28Å; L58-F62 PolarHBondContact O-N 3.11Å; L58-L84 HydrophobicContact CB-CD2 3.64Å; L58-I97 HydrophobicContact CD1-CD1 3.91Å; L58-L134 HydrophobicContact CD1-CD2 4.03Å; L58-L138 HydrophobicContact CD1-CD1 4.05Å; L58-L138 HydrophobicContact CD2-CD1 3.88Å; L58-F156 HydrophobicContact CD2-CD1 3.94Å; L58-F156 HydrophobicContact CD2-CD2 4.38Å; L58-F156 HydrophobicContact CD2-CE1 3.68Å; L58-F156 HydrophobicContact CD2-CE2 4.14Å; L58-F156 HydrophobicContact CD2-CG 4.28Å; L58-F156 HydrophobicContact CD2-CZ 3.79Å
59	C	96.4	Very high	94.6	Very high	6 Å²	6	51.7 Å²	51.7	4%	0.041	26%	0.264	C	S	.	.	H	α-helix	trans	-60.1	-53.2	178	-162.6	0	0	0	0	110.9	L55 D56 T61 F62 E63 Y79 L84	L55-C59 WeakPolarHBondContact O-CB 3.49Å; L55-C59 PolarHBondContact O-N 3.13Å; D56-C59 WeakPolarHBondContact O-CA 3.33Å; D56-C59 WeakPolarHBondContact O-CB 3.47Å; D56-C59 PolarHBondContact O-N 3.24Å; C59-T61 VanDerWaalsContact C-N 3.27Å; C59-T61 PolarHBondContact O-N 3.32Å; C59-F62 PolarHBondContact O-N 2.99Å; C59-E63 WeakPolarHBondContact O-CG 3.27Å; C59-E63 PolarHBondContact O-N 2.89Å; C59-E63 PolarHBondContact SG-OE1 2.87Å; C59-E63 VanDerWaalsContact SG-OE1 3.36Å; C59-Y79 HydrophobicContact CB-CD1 4.33Å; C59-Y79 VanDerWaalsContact SG-CB 3.53Å; C59-L84 HydrophobicContact CB-CD1 3.99Å
60	E	95.2	Very high	94.2	Very high	107 Å²	107	52 Å²	52	50%	0.5	28%	0.276	S	S	.	.	H	α-helix	trans	-53.9	-45.3	176.5	-69.5	-178.9	158.4	0	0	111.5	D56 F62 E63 L64	D56-E60 WeakPolarHBondContact O-CG 3.21Å; D56-E60 PolarHBondContact O-N 2.68Å; E60-F62 VanDerWaalsContact C-N 3.32Å; E60-F62 PolarHBondContact O-N 3.32Å; E60-E63 PolarHBondContact O-N 3.28Å; E60-L64 VanDerWaalsContact O-CG 3.26Å; E60-L64 WeakPolarHBondContact O-CG 3.27Å; E60-L64 PolarHBondContact O-N 3.34Å
61	T	93.8	Very high	93.9	Very high	16 Å²	16	51.3 Å²	51.3	10%	0.098	27%	0.273	C	S	.	.	H	α-helix	trans	-63.5	-40.1	179.8	-56.2	0	0	0	0	111.6	S57 L58 C59 L65 F154 F156	S57-T61 WeakPolarHBondContact O-CB 3.14Å; S57-T61 PolarHBondContact O-N 3.38Å; S57-T61 PolarHBondContact O-OG1 3.47Å; L58-T61 PolarHBondContact O-N 2.9Å; C59-T61 VanDerWaalsContact C-N 3.27Å; C59-T61 PolarHBondContact O-N 3.32Å; T61-L65 WeakPolarHBondContact O-CG 3.22Å; T61-F154 HydrophobicContact CG2-CD1 3.77Å; T61-F154 HydrophobicContact CG2-CE1 4.26Å; T61-F156 HydrophobicContact CG2-CD1 3.93Å; T61-F156 HydrophobicContact CG2-CE1 3.74Å
62	F	95.2	Very high	93.7	Very high	1 Å²	1	53 Å²	53	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-74.8	-38.5	-179.4	-62.7	-27.8	0	0	0	112.5	L58 C59 E60 L64 L65 Y75 V77 L84 L86 L142 F154	L58-F62 HydrophobicContact CB-CE2 4.08Å; L58-F62 HydrophobicContact CD2-CZ 4.21Å; L58-F62 WeakPolarHBondContact O-CD2 3.16Å; L58-F62 WeakPolarHBondContact O-CG 3.28Å; L58-F62 PolarHBondContact O-N 3.11Å; C59-F62 PolarHBondContact O-N 2.99Å; E60-F62 VanDerWaalsContact C-N 3.32Å; E60-F62 PolarHBondContact O-N 3.32Å; F62-L64 PolarHBondContact O-N 3.03Å; F62-L65 HydrophobicContact CD1-CD1 3.96Å; F62-L65 WeakPolarHBondContact O-CB 3.49Å; F62-L65 PolarHBondContact O-N 2.87Å; F62-L65 VanDerWaalsContact O-N 3.12Å; F62-Y75 PolarHBondContact O-OH 3.44Å; F62-V77 HydrophobicContact CB-CG1 3.97Å; F62-V77 HydrophobicContact CB-CG2 3.76Å; F62-L84 HydrophobicContact CD2-CD2 4.1Å; F62-L84 HydrophobicContact CE2-CD2 3.99Å; F62-L86 HydrophobicContact CB-CD1 4.24Å; F62-L86 HydrophobicContact CD1-CD2 4.09Å; F62-L86 HydrophobicContact CD2-CB 4.23Å; F62-L86 HydrophobicContact CD2-CD1 4.35Å; F62-L86 HydrophobicContact CD2-CD2 3.93Å; F62-L86 HydrophobicContact CD2-CG 4.4Å; F62-L86 HydrophobicContact CE1-CD2 3.95Å; F62-L86 HydrophobicContact CE2-CB 4.39Å; F62-L86 HydrophobicContact CE2-CD2 3.78Å; F62-L86 HydrophobicContact CG-CD1 4.18Å; F62-L86 HydrophobicContact CG-CD2 4.09Å; F62-L86 HydrophobicContact CZ-CD2 3.8Å; F62-L142 HydrophobicContact CE1-CD1 3.6Å; F62-L142 HydrophobicContact CZ-CD1 4.1Å; F62-F154 HydrophobicContact CD1-CE1 4.48Å; F62-F154 HydrophobicContact CE1-CE1 4.23Å
63	E	94.8	Very high	93.4	Very high	113 Å²	113	57.5 Å²	57.5	53%	0.528	31%	0.311	S	S	.	.	H	α-helix	trans	-62.5	-29.7	175.7	-72.8	176.7	170.9	0	0	112.7	C59 E60 P66 V77	C59-E63 WeakPolarHBondContact O-CG 3.27Å; C59-E63 PolarHBondContact O-N 2.89Å; C59-E63 PolarHBondContact SG-OE1 2.87Å; C59-E63 VanDerWaalsContact SG-OE1 3.36Å; E60-E63 PolarHBondContact O-N 3.28Å; E63-P66 WeakPolarHBondContact O-CD 3.4Å; E63-V77 HydrophobicContact CG-CB 4.34Å; E63-V77 HydrophobicContact CG-CG1 4.22Å
64	L	93	Very high	93.3	Very high	110 Å²	110	57 Å²	57	58%	0.576	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-9	176.7	-67.1	172.5	0	0	0	114.2	E60 F62	E60-L64 VanDerWaalsContact O-CG 3.26Å; E60-L64 WeakPolarHBondContact O-CG 3.27Å; E60-L64 PolarHBondContact O-N 3.34Å; F62-L64 PolarHBondContact O-N 3.03Å
65	L	92	Very high	93.3	Very high	1 Å²	1	58 Å²	58	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-63.4	-43.6	-178.6	-77.1	176.4	0	0	0	113.9	T61 F62 D67 A68 V69 L71 L146 A150 K153 F154	T61-L65 WeakPolarHBondContact O-CG 3.22Å; F62-L65 HydrophobicContact CD1-CD1 3.96Å; F62-L65 WeakPolarHBondContact O-CB 3.49Å; F62-L65 PolarHBondContact O-N 2.87Å; F62-L65 VanDerWaalsContact O-N 3.12Å; L65-D67 PolarHBondContact O-N 3.12Å; L65-A68 PolarHBondContact O-N 3.19Å; L65-A68 VanDerWaalsContact O-N 3.1Å; L65-V69 PolarHBondContact O-N 2.96Å; L65-V69 VanDerWaalsContact O-N 3.07Å; L65-L71 HydrophobicContact CB-CD1 3.87Å; L65-L146 HydrophobicContact CD1-CD1 4.03Å; L65-A150 HydrophobicContact CD2-CB 4.49Å; L65-K153 HydrophobicContact CD2-CB 4.46Å; L65-F154 HydrophobicContact CD1-CE1 4.04Å; L65-F154 HydrophobicContact CD1-CZ 4.24Å; L65-F154 HydrophobicContact CD2-CE1 3.99Å; L65-F154 HydrophobicContact CD2-CZ 4.13Å; L65-F154 HydrophobicContact CG-CE1 4.46Å
66	P	91.8	Very high	93.2	Very high	58 Å²	58	61.2 Å²	61.2	38%	0.377	33%	0.332	S	S	.	.	H	α-helix	trans	-60.5	-30.7	-179.5	-26.3	36.8	0	0	0	114.1	E63 A68 L71 Y75	E63-P66 WeakPolarHBondContact O-CD 3.4Å; P66-A68 VanDerWaalsContact C-N 3.31Å; P66-L71 HydrophobicContact CB-CD1 4.37Å; P66-L71 HydrophobicContact CG-CD1 3.97Å; P66-Y75 HydrophobicContact CG-CD1 3.57Å; P66-Y75 HydrophobicContact CG-CE1 3.45Å; P66-Y75 VanDerWaalsContact CG-CE1 3.45Å
67	D	90.9	Very high	93.3	Very high	143 Å²	143	59.4 Å²	59.4	77%	0.765	32%	0.323	S	S	*	.	H	α-helix	trans	-73.5	-26.4	177.9	-66.8	-22.1	0	0	0	112.4	L65	L65-D67 PolarHBondContact O-N 3.12Å
68	A	86.8	Confident	93.4	Very high	39 Å²	39	60.6 Å²	60.6	32%	0.322	33%	0.332	S	S	.	.	H	α-helix	trans	-94.7	-25	-174.6	0	0	0	0	0	113.5	L65 P66 K153	L65-A68 PolarHBondContact O-N 3.19Å; L65-A68 VanDerWaalsContact O-N 3.1Å; P66-A68 VanDerWaalsContact C-N 3.31Å; A68-K153 HydrophobicContact CB-CG 4.16Å
69	V	88.3	Confident	93.4	Very high	9 Å²	9	63.6 Å²	63.6	6%	0.055	34%	0.343	C	S	.	.	S	Bend	trans	-145.5	140.7	-169.2	-172.6	0	0	0	0	109.9	L65 L71 P147 A150	L65-V69 PolarHBondContact O-N 2.96Å; L65-V69 VanDerWaalsContact O-N 3.07Å; V69-L71 PolarHBondContact O-N 3.22Å; V69-L71 VanDerWaalsContact O-N 3.14Å; V69-P147 HydrophobicContact CG1-CB 3.85Å; V69-P147 HydrophobicContact CG1-CG 3.67Å; V69-A150 HydrophobicContact CG2-CB 3.73Å
70	D	89.1	Confident	93.5	Very high	157 Å²	157	65.9 Å²	65.9	84%	0.84	36%	0.362	S	S	*	.			trans	-66	113	172	-169.7	27.9	0	0	0	110.2
71	L	91	Very high	93.5	Very high	21 Å²	21	68.8 Å²	68.8	11%	0.11	38%	0.381	C	S	.	.			trans	-117.7	154.2	-177.3	-69.2	178.1	0	0	0	110.4	L65 P66 V69 Y75 L146	L65-L71 HydrophobicContact CB-CD1 3.87Å; P66-L71 HydrophobicContact CB-CD1 4.37Å; P66-L71 HydrophobicContact CG-CD1 3.97Å; V69-L71 PolarHBondContact O-N 3.22Å; V69-L71 VanDerWaalsContact O-N 3.14Å; L71-Y75 HydrophobicContact CB-CD2 4.37Å; L71-Y75 HydrophobicContact CB-CG 4.26Å; L71-Y75 HydrophobicContact CD1-CD1 4.03Å; L71-Y75 HydrophobicContact CD1-CD2 3.56Å; L71-Y75 HydrophobicContact CD1-CE1 4.06Å; L71-Y75 HydrophobicContact CD1-CE2 3.6Å; L71-Y75 HydrophobicContact CD1-CG 3.79Å; L71-Y75 HydrophobicContact CG-CD2 4.36Å; L71-L146 HydrophobicContact CD2-CD2 3.64Å
72	P	92.1	Very high	93.6	Very high	37 Å²	37	68.2 Å²	68.2	24%	0.24	38%	0.379	C	S	.	.			trans	-57	149.2	175.4	-24.5	35.5	0	0	0	112.9	D74 Y75	P72-D74 WeakPolarHBondContact CB-OD1 3.45Å; P72-D74 PolarHBondContact O-N 3Å; P72-D74 VanDerWaalsContact O-N 3.08Å; P72-Y75 WeakPolarHBondContact O-CB 3.5Å; P72-Y75 PolarHBondContact O-N 3.44Å
73	N	92.1	Very high	93.7	Very high	179 Å²	179	70.3 Å²	70.3	96%	0.957	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.9	178.7	-64.9	-29.5	0	0	0	114.2
74	D	94.2	Very high	93.9	Very high	93 Å²	93	65 Å²	65	50%	0.497	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	13.2	176.5	65.9	-35.5	0	0	0	113.1	P72 G89 G90	P72-D74 WeakPolarHBondContact CB-OD1 3.45Å; P72-D74 PolarHBondContact O-N 3Å; P72-D74 VanDerWaalsContact O-N 3.08Å; D74-G89 WeakPolarHBondContact OD1-CA 3.46Å; D74-G89 VanDerWaalsContact OD2-CA 3.24Å; D74-G89 WeakPolarHBondContact OD2-CA 3.45Å; D74-G90 PolarHBondContact OD1-N 3.29Å; D74-G90 PolarHBondContact OD2-N 2.99Å; D74-G90 VanDerWaalsContact OD2-N 3.13Å
75	Y	95.9	Very high	94.2	Very high	31 Å²	31	61.3 Å²	61.3	12%	0.122	35%	0.349	C	S	.	.			trans	-66.6	132.8	167.5	-178.3	-87.9	0	0	0	110.5	F62 P66 L71 P72 V77 L86 K87 L88	F62-Y75 PolarHBondContact O-OH 3.44Å; P66-Y75 HydrophobicContact CG-CD1 3.57Å; P66-Y75 HydrophobicContact CG-CE1 3.45Å; P66-Y75 VanDerWaalsContact CG-CE1 3.45Å; L71-Y75 HydrophobicContact CB-CD2 4.37Å; L71-Y75 HydrophobicContact CB-CG 4.26Å; L71-Y75 HydrophobicContact CD1-CD1 4.03Å; L71-Y75 HydrophobicContact CD1-CD2 3.56Å; L71-Y75 HydrophobicContact CD1-CE1 4.06Å; L71-Y75 HydrophobicContact CD1-CE2 3.6Å; L71-Y75 HydrophobicContact CD1-CG 3.79Å; L71-Y75 HydrophobicContact CG-CD2 4.36Å; P72-Y75 WeakPolarHBondContact O-CB 3.5Å; P72-Y75 PolarHBondContact O-N 3.44Å; Y75-V77 HydrophobicContact CE1-CG2 3.56Å; Y75-V77 WeakPolarHBondContact OH-CG2 3.46Å; Y75-L86 HydrophobicContact CE2-CD1 3.72Å; Y75-L86 VanDerWaalsContact OH-CD1 3.29Å; Y75-L86 WeakPolarHBondContact OH-CD1 3.44Å; Y75-K87 WeakPolarHBondContact CA-O 3.27Å; Y75-K87 WeakPolarHBondContact CD2-O 3.5Å; Y75-L88 HydrophobicContact CE2-CD2 4.04Å
76	D	96.8	Very high	94.4	Very high	68 Å²	68	61.4 Å²	61.4	36%	0.364	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	141.4	-175.2	176.5	40.2	0	0	0	110.8	K87	D76-K87 HydrophobicContact CB-CB 4.22Å; D76-K87 HydrophobicContact CB-CD 4.19Å; D76-K87 PolarHBondContact N-O 2.68Å; D76-K87 PolarHBondContact O-N 2.83Å; D76-K87 IonicContact OD2-NZ 2.63Å; D76-K87 PolarHBondContact OD2-NZ 3.43Å
77	V	97.5	Very high	94.7	Very high	24 Å²	24	62.7 Å²	62.7	15%	0.145	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129.2	179	-174.3	0	0	0	0	107.5	F62 E63 Y75 L84 T85 L86	F62-V77 HydrophobicContact CB-CG1 3.97Å; F62-V77 HydrophobicContact CB-CG2 3.76Å; E63-V77 HydrophobicContact CG-CB 4.34Å; E63-V77 HydrophobicContact CG-CG1 4.22Å; Y75-V77 HydrophobicContact CE1-CG2 3.56Å; Y75-V77 WeakPolarHBondContact OH-CG2 3.46Å; V77-L84 HydrophobicContact CG1-CD1 3.99Å; V77-T85 WeakPolarHBondContact CA-O 3.44Å; V77-L86 HydrophobicContact CG2-CD1 3.86Å
78	S	97.5	Very high	94.8	Very high	60 Å²	60	55.9 Å²	55.9	42%	0.42	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	125.5	178.9	-179.1	0	0	0	0	110.2	L84 T85	S78-L84 CarbonylContact O-C 3.6Å; S78-L84 WeakPolarHBondContact O-CA 3.45Å; S78-T85 PolarHBondContact N-O 2.92Å; S78-T85 PolarHBondContact O-N 2.98Å
79	Y	97.8	Very high	95.1	Very high	63 Å²	63	54.3 Å²	54.3	25%	0.247	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	111.8	174.2	-178.8	-144	0	0	0	110.4	H52 L55 C59 V83 L84	H52-Y79 PolarHBondContact ND1-OH 2.63Å; L55-Y79 HydrophobicContact CB-CE2 3.96Å; L55-Y79 HydrophobicContact CD1-CE2 4Å; C59-Y79 HydrophobicContact CB-CD1 4.33Å; C59-Y79 VanDerWaalsContact SG-CB 3.53Å; Y79-V83 WeakPolarHBondContact CA-O 3.39Å; Y79-L84 HydrophobicContact CD2-CB 4.12Å; Y79-L84 HydrophobicContact CG-CD1 4.47Å
80	A	97.1	Very high	95.2	Very high	53 Å²	53	56 Å²	56	44%	0.438	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	143.5	179.3	0	0	0	0	0	110.7	G82 V83	A80-G82 PolarHBondContact O-N 2.78Å; A80-V83 PolarHBondContact N-O 3.42Å; A80-V83 WeakPolarHBondContact O-CA 3.15Å; A80-V83 WeakPolarHBondContact O-CB 3.34Å; A80-V83 PolarHBondContact O-N 3.01Å
81	D	95.4	Very high	95.1	Very high	168 Å²	168	60.4 Å²	60.4	90%	0.898	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	32	174.9	-60.3	-43.5	0	0	0	114.9	V83	D81-V83 VanDerWaalsContact C-N 3.3Å; D81-V83 PolarHBondContact O-N 2.79Å
82	G	96.2	Very high	95.1	Very high	4 Å²	4	62.4 Å²	62.4	4%	0.041	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	10.1	-178.1	0	0	0	0	0	115.7	A80 N98 K99	A80-G82 PolarHBondContact O-N 2.78Å; G82-N98 WeakPolarHBondContact O-CA 3.32Å; G82-N98 PolarHBondContact O-OD1 3.03Å; G82-K99 PolarHBondContact O-N 2.85Å
83	V	98.1	Very high	95.2	Very high	45 Å²	45	62 Å²	62	27%	0.273	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	116.6	173.3	-170.9	0	0	0	0	108.7	Y79 A80 D81 V96 I97 N98	Y79-V83 WeakPolarHBondContact CA-O 3.39Å; A80-V83 PolarHBondContact N-O 3.42Å; A80-V83 WeakPolarHBondContact O-CA 3.15Å; A80-V83 WeakPolarHBondContact O-CB 3.34Å; A80-V83 PolarHBondContact O-N 3.01Å; D81-V83 VanDerWaalsContact C-N 3.3Å; D81-V83 PolarHBondContact O-N 2.79Å; V83-V96 HydrophobicContact CG1-CG1 3.74Å; V83-I97 CarbonylContact C-O 3.49Å; V83-N98 HydrophobicContact CG2-CB 4.45Å; V83-N98 WeakPolarHBondContact CG2-OD1 3.49Å
84	L	98.4	Very high	95.5	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.1	168.9	176.3	65.3	0	0	0	108.9	L55 L58 C59 F62 V77 S78 Y79 V96 I97	L55-L84 HydrophobicContact CD2-CB 3.96Å; L55-L84 HydrophobicContact CD2-CD2 4.24Å; L58-L84 HydrophobicContact CB-CD2 3.64Å; C59-L84 HydrophobicContact CB-CD1 3.99Å; F62-L84 HydrophobicContact CD2-CD2 4.1Å; F62-L84 HydrophobicContact CE2-CD2 3.99Å; V77-L84 HydrophobicContact CG1-CD1 3.99Å; S78-L84 CarbonylContact O-C 3.6Å; S78-L84 WeakPolarHBondContact O-CA 3.45Å; Y79-L84 HydrophobicContact CD2-CB 4.12Å; Y79-L84 HydrophobicContact CG-CD1 4.47Å; L84-V96 CarbonylContact O-C 3.58Å; L84-V96 WeakPolarHBondContact O-CA 3.36Å; L84-I97 HydrophobicContact CB-CB 4.32Å; L84-I97 HydrophobicContact CD2-CD1 4.29Å; L84-I97 PolarHBondContact N-O 3.46Å; L84-I97 PolarHBondContact O-N 2.91Å
85	T	98.3	Very high	95.7	Very high	34 Å²	34	52.1 Å²	52.1	21%	0.209	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	124	177.1	-57.2	0	0	0	0	109	V77 S78 K87 T94 Y95 V96	V77-T85 WeakPolarHBondContact CA-O 3.44Å; S78-T85 PolarHBondContact N-O 2.92Å; S78-T85 PolarHBondContact O-N 2.98Å; T85-K87 HydrophobicContact CG2-CG 4.45Å; T85-T94 HydrophobicContact CG2-CG2 3.65Å; T85-Y95 WeakPolarHBondContact CA-O 3.26Å; T85-V96 HydrophobicContact CG2-CG2 4.4Å
86	L	97.8	Very high	95.8	Very high	2 Å²	2	53 Å²	53	1%	0.01	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	112.1	176.4	165.1	69.3	0	0	0	108.9	F62 Y75 V77 L88 T94 Y95 L142	F62-L86 HydrophobicContact CB-CD1 4.24Å; F62-L86 HydrophobicContact CD1-CD2 4.09Å; F62-L86 HydrophobicContact CD2-CB 4.23Å; F62-L86 HydrophobicContact CD2-CD1 4.35Å; F62-L86 HydrophobicContact CD2-CD2 3.93Å; F62-L86 HydrophobicContact CD2-CG 4.4Å; F62-L86 HydrophobicContact CE1-CD2 3.95Å; F62-L86 HydrophobicContact CE2-CB 4.39Å; F62-L86 HydrophobicContact CE2-CD2 3.78Å; F62-L86 HydrophobicContact CG-CD1 4.18Å; F62-L86 HydrophobicContact CG-CD2 4.09Å; F62-L86 HydrophobicContact CZ-CD2 3.8Å; Y75-L86 HydrophobicContact CE2-CD1 3.72Å; Y75-L86 VanDerWaalsContact OH-CD1 3.29Å; Y75-L86 WeakPolarHBondContact OH-CD1 3.44Å; V77-L86 HydrophobicContact CG2-CD1 3.86Å; L86-L88 HydrophobicContact CD1-CD2 4.02Å; L86-L88 HydrophobicContact CD2-CD2 3.93Å; L86-L88 HydrophobicContact CG-CD2 3.97Å; L86-L88 HydrophobicContact CG-CG 4.38Å; L86-T94 CarbonylContact O-C 3.59Å; L86-T94 WeakPolarHBondContact O-CA 3.4Å; L86-Y95 HydrophobicContact CD2-CD2 4.38Å; L86-Y95 PolarHBondContact N-O 3.37Å; L86-Y95 PolarHBondContact O-N 3.04Å; L86-L142 HydrophobicContact CD2-CD2 4.14Å
87	K	96.9	Very high	95.9	Very high	85 Å²	85	49.9 Å²	49.9	37%	0.37	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	115.5	171.1	-61.1	178.9	-162.7	140.9	0	108.1	Y75 D76 T85 G89 T94	Y75-K87 WeakPolarHBondContact CA-O 3.27Å; Y75-K87 WeakPolarHBondContact CD2-O 3.5Å; D76-K87 HydrophobicContact CB-CB 4.22Å; D76-K87 HydrophobicContact CB-CD 4.19Å; D76-K87 PolarHBondContact N-O 2.68Å; D76-K87 PolarHBondContact O-N 2.83Å; D76-K87 IonicContact OD2-NZ 2.63Å; D76-K87 PolarHBondContact OD2-NZ 3.43Å; T85-K87 HydrophobicContact CG2-CG 4.45Å; K87-G89 PolarHBondContact O-N 2.87Å; K87-T94 HydrophobicContact CG-CG2 3.89Å
88	L	94.1	Very high	95.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	28%	0.28	C	S	.	.			trans	-79.6	-8.2	-178.4	-68.7	178.9	0	0	0	114	Y75 L86 K92 G93 Y95 L142 L145 L146	Y75-L88 HydrophobicContact CE2-CD2 4.04Å; L86-L88 HydrophobicContact CD1-CD2 4.02Å; L86-L88 HydrophobicContact CD2-CD2 3.93Å; L86-L88 HydrophobicContact CG-CD2 3.97Å; L86-L88 HydrophobicContact CG-CG 4.38Å; L88-K92 HydrophobicContact CB-CB 3.81Å; L88-K92 HydrophobicContact CB-CD 4.31Å; L88-K92 HydrophobicContact CD1-CB 4.29Å; L88-G93 PolarHBondContact N-O 3.41Å; L88-Y95 HydrophobicContact CD1-CD2 4.06Å; L88-Y95 HydrophobicContact CD1-CE2 3.56Å; L88-Y95 HydrophobicContact CG-CD2 4.33Å; L88-Y95 HydrophobicContact CG-CE2 4.32Å; L88-L142 HydrophobicContact CD1-CD2 3.93Å; L88-L142 HydrophobicContact CD2-CD2 3.89Å; L88-L142 HydrophobicContact CG-CD2 4.47Å; L88-L145 HydrophobicContact CD1-CB 4.06Å; L88-L145 HydrophobicContact CD1-CD1 3.36Å; L88-L145 HydrophobicContact CD1-CG 4.36Å; L88-L146 HydrophobicContact CD2-CD2 4.24Å
89	G	92.7	Very high	95.9	Very high	7 Å²	7	49.6 Å²	49.6	7%	0.072	27%	0.268	C	S	.	.			trans	65.6	-177.3	-174.3	0	0	0	0	0	114.2	D74 K87 R91 K92	D74-G89 WeakPolarHBondContact OD1-CA 3.46Å; D74-G89 VanDerWaalsContact OD2-CA 3.24Å; D74-G89 WeakPolarHBondContact OD2-CA 3.45Å; K87-G89 PolarHBondContact O-N 2.87Å; G89-R91 PolarHBondContact O-N 2.99Å; G89-K92 WeakPolarHBondContact O-CB 3.32Å; G89-K92 WeakPolarHBondContact O-CG 3.37Å; G89-K92 PolarHBondContact O-N 3.04Å
90	G	89.4	Confident	95.9	Very high	44 Å²	44	48.5 Å²	48.5	45%	0.454	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	31.5	170.5	0	0	0	0	0	115.1	D74 K92	D74-G90 PolarHBondContact OD1-N 3.29Å; D74-G90 PolarHBondContact OD2-N 2.99Å; D74-G90 VanDerWaalsContact OD2-N 3.13Å; G90-K92 PolarHBondContact O-N 3.27Å
91	R	88.8	Confident	95.8	Very high	249 Å²	249	49 Å²	49	94%	0.94	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	17.9	-175.9	-51.4	171.8	63	174.9	0.5	115.1	G89 G93	G89-R91 PolarHBondContact O-N 2.99Å; R91-G93 VanDerWaalsContact C-N 3.31Å
92	K	90.9	Very high	95.7	Very high	64 Å²	64	46.6 Å²	46.6	28%	0.278	26%	0.256	S	S	.	.			trans	-78.5	-14	178	-62	175.6	-175.9	-177	0	113.6	L88 G89 G90 L145	L88-K92 HydrophobicContact CB-CB 3.81Å; L88-K92 HydrophobicContact CB-CD 4.31Å; L88-K92 HydrophobicContact CD1-CB 4.29Å; G89-K92 WeakPolarHBondContact O-CB 3.32Å; G89-K92 WeakPolarHBondContact O-CG 3.37Å; G89-K92 PolarHBondContact O-N 3.04Å; G90-K92 PolarHBondContact O-N 3.27Å; K92-L145 HydrophobicContact CB-CD2 4.48Å; K92-L145 HydrophobicContact CD-CB 4.44Å; K92-L145 WeakPolarHBondContact CD-O 3.47Å; K92-L145 WeakPolarHBondContact CE-O 3.4Å; K92-L145 PolarHBondContact NZ-O 3.35Å
93	G	94.2	Very high	95.7	Very high	29 Å²	29	50.8 Å²	50.8	30%	0.299	28%	0.277	S	S	.	.			trans	100.3	-176.2	175.9	0	0	0	0	0	114.2	L88 R91	L88-G93 PolarHBondContact N-O 3.41Å; R91-G93 VanDerWaalsContact C-N 3.31Å
94	T	97.3	Very high	95.6	Very high	62 Å²	62	51.9 Å²	51.9	38%	0.38	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.1	-173.9	-55	0	0	0	0	110.3	T85 L86 K87 V96	T85-T94 HydrophobicContact CG2-CG2 3.65Å; L86-T94 CarbonylContact O-C 3.59Å; L86-T94 WeakPolarHBondContact O-CA 3.4Å; K87-T94 HydrophobicContact CG-CG2 3.89Å; T94-V96 HydrophobicContact CG2-CG2 4.29Å
95	Y	98.3	Very high	95.6	Very high	1 Å²	1	53.4 Å²	53.4	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	137.5	171.2	-71.8	-101.4	0	0	0	109.4	T85 L86 L88 L108 S109 P111 L138 E141 L142 L145	T85-Y95 WeakPolarHBondContact CA-O 3.26Å; L86-Y95 HydrophobicContact CD2-CD2 4.38Å; L86-Y95 PolarHBondContact N-O 3.37Å; L86-Y95 PolarHBondContact O-N 3.04Å; L88-Y95 HydrophobicContact CD1-CD2 4.06Å; L88-Y95 HydrophobicContact CD1-CE2 3.56Å; L88-Y95 HydrophobicContact CG-CD2 4.33Å; L88-Y95 HydrophobicContact CG-CE2 4.32Å; Y95-L108 HydrophobicContact CD1-CD1 4.22Å; Y95-S109 WeakPolarHBondContact CA-O 3.42Å; Y95-P111 HydrophobicContact CD2-CG 3.95Å; Y95-P111 HydrophobicContact CE1-CG 4.45Å; Y95-P111 VanDerWaalsContact CE2-CD 3.46Å; Y95-P111 HydrophobicContact CE2-CG 3.45Å; Y95-P111 VanDerWaalsContact CE2-CG 3.45Å; Y95-P111 VanDerWaalsContact CZ-CD 3.45Å; Y95-L138 HydrophobicContact CD1-CD2 3.95Å; Y95-L138 HydrophobicContact CE1-CD2 4.13Å; Y95-E141 WeakPolarHBondContact CE1-OE2 3.49Å; Y95-E141 WeakPolarHBondContact OH-CB 3Å; Y95-E141 PolarHBondContact OH-OE2 2.93Å; Y95-L142 HydrophobicContact CE2-CD2 4.37Å; Y95-L145 HydrophobicContact CE2-CD1 4.06Å
96	V	98.5	Very high	95.6	Very high	50 Å²	50	51.8 Å²	51.8	30%	0.303	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	120.8	173.1	-175.7	0	0	0	0	108.5	V83 L84 T85 T94 L108 S109	V83-V96 HydrophobicContact CG1-CG1 3.74Å; L84-V96 CarbonylContact O-C 3.58Å; L84-V96 WeakPolarHBondContact O-CA 3.36Å; T85-V96 HydrophobicContact CG2-CG2 4.4Å; T94-V96 HydrophobicContact CG2-CG2 4.29Å; V96-L108 CarbonylContact O-C 3.53Å; V96-L108 WeakPolarHBondContact O-CA 3.32Å; V96-S109 PolarHBondContact N-O 3.49Å; V96-S109 PolarHBondContact O-N 3.2Å
97	I	98.6	Very high	95.7	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	121.1	-179.9	-43	-176.1	0	0	0	107.5	L55 L58 V83 L84 I106 W107 L108 L134 L138	L55-I97 HydrophobicContact CD2-CB 3.97Å; L55-I97 HydrophobicContact CD2-CG2 3.6Å; L58-I97 HydrophobicContact CD1-CD1 3.91Å; V83-I97 CarbonylContact C-O 3.49Å; L84-I97 HydrophobicContact CB-CB 4.32Å; L84-I97 HydrophobicContact CD2-CD1 4.29Å; L84-I97 PolarHBondContact N-O 3.46Å; L84-I97 PolarHBondContact O-N 2.91Å; I97-I106 HydrophobicContact CG2-CG2 3.59Å; I97-W107 CarbonylContact C-O 3.55Å; I97-W107 VanDerWaalsContact CA-O 3.31Å; I97-W107 WeakPolarHBondContact CA-O 3.18Å; I97-L108 HydrophobicContact CD1-CD1 4.25Å; I97-L108 HydrophobicContact CG1-CD1 3.76Å; I97-L134 HydrophobicContact CG2-CD2 4.36Å; I97-L138 HydrophobicContact CD1-CD1 3.89Å; I97-L138 HydrophobicContact CD1-CD2 4.36Å
98	N	98.2	Very high	95.7	Very high	44 Å²	44	51.6 Å²	51.6	24%	0.235	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	140.6	-170.6	-173.5	15.7	0	0	0	112.5	G82 V83 Q100 W107	G82-N98 WeakPolarHBondContact O-CA 3.32Å; G82-N98 PolarHBondContact O-OD1 3.03Å; V83-N98 HydrophobicContact CG2-CB 4.45Å; V83-N98 WeakPolarHBondContact CG2-OD1 3.49Å; N98-Q100 PolarHBondContact ND2-NE2 2.93Å; N98-W107 PolarHBondContact N-O 3.44Å; N98-W107 PolarHBondContact O-N 3.43Å
99	K	97.6	Very high	95.9	Very high	35 Å²	35	54.3 Å²	54.3	15%	0.152	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	135.4	164.7	-65	-166.5	-69.8	-174	0	110.9	Y47 E48 A51 L55 G82 I106	Y47-K99 WeakPolarHBondContact OH-CA 3.21Å; E48-K99 IonicContact OE1-NZ 2.68Å; E48-K99 PolarHBondContact OE1-NZ 2.68Å; A51-K99 HydrophobicContact CB-CD 3.84Å; A51-K99 HydrophobicContact CB-CG 4.09Å; L55-K99 HydrophobicContact CD1-CD 4.09Å; L55-K99 HydrophobicContact CD1-CG 3.47Å; L55-K99 VanDerWaalsContact CD1-CG 3.47Å; G82-K99 PolarHBondContact O-N 2.85Å; K99-I106 HydrophobicContact CG-CD1 4.19Å
100	Q	97.2	Very high	96.2	Very high	39 Å²	39	54.2 Å²	54.2	18%	0.182	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	70.9	172.7	-68.6	-69.5	-26.1	0	0	109.2	Y47 N98 P102 N103 K104 Q105 W107	Y47-Q100 PolarHBondContact OH-N 2.62Å; N98-Q100 PolarHBondContact ND2-NE2 2.93Å; Q100-P102 VanDerWaalsContact C-CD 3.42Å; Q100-N103 CarbonylContact O-C 3.59Å; Q100-N103 PolarHBondContact O-N 3.03Å; Q100-K104 PolarHBondContact O-N 2.85Å; Q100-Q105 HydrophobicContact CB-CB 4.25Å; Q100-Q105 WeakPolarHBondContact CB-O 3.31Å; Q100-Q105 PolarHBondContact N-O 3.38Å; Q100-Q105 PolarHBondContact O-N 2.94Å; Q100-W107 HydrophobicContact CG-CB 4.17Å; Q100-W107 HydrophobicContact CG-CD2 3.57Å; Q100-W107 HydrophobicContact CG-CE3 4.18Å; Q100-W107 HydrophobicContact CG-CG 3.55Å; Q100-W107 HydrophobicContact CG-CZ2 4.34Å
101	T	94.3	Very high	96.5	Very high	64 Å²	64	55 Å²	55	39%	0.393	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-42.4	-174.1	-48.7	0	0	0	0	114.5	Y47 N103 K104	Y47-T101 HydrophobicContact CD1-CG2 4.32Å; Y47-T101 VanDerWaalsContact CE1-CA 3.5Å; Y47-T101 HydrophobicContact CE1-CG2 4.17Å; T101-N103 VanDerWaalsContact C-N 3.3Å; T101-N103 PolarHBondContact O-N 3.2Å; T101-K104 PolarHBondContact O-N 2.83Å
102	P	94.6	Very high	96.8	Very high	117 Å²	117	47.1 Å²	47.1	76%	0.76	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-38.6	178.4	-24.6	35.5	0	0	0	113.3	Q100	Q100-P102 VanDerWaalsContact C-CD 3.42Å
103	N	95.6	Very high	97.1	Very high	93 Å²	93	45.9 Å²	45.9	50%	0.497	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-9.5	-177.9	-61	-41.1	0	0	0	112.7	Q100 T101 Q105	Q100-N103 CarbonylContact O-C 3.59Å; Q100-N103 PolarHBondContact O-N 3.03Å; T101-N103 VanDerWaalsContact C-N 3.3Å; T101-N103 PolarHBondContact O-N 3.2Å; N103-Q105 VanDerWaalsContact C-N 3.28Å; N103-Q105 HydrophobicContact CB-CB 4.36Å; N103-Q105 HydrophobicContact CB-CG 4.15Å; N103-Q105 PolarHBondContact O-N 3.42Å
104	K	96.8	Very high	97.2	Very high	67 Å²	67	45.5 Å²	45.5	29%	0.291	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	42.7	-172.2	-58.9	173.3	-175.1	159	0	112.8	L42 Y47 Q100 T101	L42-K104 HydrophobicContact CB-CD 4.26Å; L42-K104 WeakPolarHBondContact O-CD 3.17Å; L42-K104 VanDerWaalsContact O-CE 3.3Å; L42-K104 WeakPolarHBondContact O-CE 3.17Å; L42-K104 PolarHBondContact O-NZ 2.92Å; Y47-K104 HydrophobicContact CD1-CG 4.4Å; Y47-K104 HydrophobicContact CD2-CB 3.55Å; Y47-K104 HydrophobicContact CD2-CG 4.18Å; Y47-K104 WeakPolarHBondContact CD2-O 3.46Å; Y47-K104 HydrophobicContact CE2-CB 4.15Å; Y47-K104 WeakPolarHBondContact CE2-O 3.22Å; Y47-K104 HydrophobicContact CG-CB 3.8Å; Y47-K104 HydrophobicContact CG-CG 3.88Å; Q100-K104 PolarHBondContact O-N 2.85Å; T101-K104 PolarHBondContact O-N 2.83Å
105	Q	97.8	Very high	97.2	Very high	33 Å²	33	47.9 Å²	47.9	15%	0.154	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	164.1	-178.7	-72.4	-178.5	-24.9	0	0	111.7	Y47 Q100 N103 Y118 D119	Y47-Q105 PolarHBondContact OH-O 2.83Å; Q100-Q105 HydrophobicContact CB-CB 4.25Å; Q100-Q105 WeakPolarHBondContact CB-O 3.31Å; Q100-Q105 PolarHBondContact N-O 3.38Å; Q100-Q105 PolarHBondContact O-N 2.94Å; N103-Q105 VanDerWaalsContact C-N 3.28Å; N103-Q105 HydrophobicContact CB-CB 4.36Å; N103-Q105 HydrophobicContact CB-CG 4.15Å; N103-Q105 PolarHBondContact O-N 3.42Å; Q105-Y118 WeakPolarHBondContact CA-O 3.47Å; Q105-Y118 WeakPolarHBondContact CB-O 3.36Å; Q105-D119 WeakPolarHBondContact CG-OD1 3.11Å; Q105-D119 PolarHBondContact NE2-OD1 3.42Å
106	I	98.4	Very high	97.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128.6	163.5	-62.9	-63.4	0	0	0	108.1	A51 L54 I97 K99 Y118 W125 L134	A51-I106 HydrophobicContact CB-CD1 3.83Å; L54-I106 HydrophobicContact CD2-CG1 4.06Å; L54-I106 HydrophobicContact CD2-CG2 4.39Å; I97-I106 HydrophobicContact CG2-CG2 3.59Å; K99-I106 HydrophobicContact CG-CD1 4.19Å; I106-Y118 PolarHBondContact N-O 3.11Å; I106-Y118 VanDerWaalsContact N-O 3.11Å; I106-Y118 PolarHBondContact O-N 3.27Å; I106-W125 HydrophobicContact CB-CD2 4.42Å; I106-W125 HydrophobicContact CB-CE3 4.13Å; I106-W125 HydrophobicContact CB-CZ3 4.42Å; I106-W125 HydrophobicContact CD1-CH2 4.47Å; I106-W125 HydrophobicContact CD1-CZ2 4.49Å; I106-W125 HydrophobicContact CG1-CD2 3.75Å; I106-W125 HydrophobicContact CG1-CE3 3.65Å; I106-W125 HydrophobicContact CG1-CH2 3.83Å; I106-W125 HydrophobicContact CG1-CZ2 3.91Å; I106-W125 HydrophobicContact CG1-CZ3 3.7Å; I106-L134 HydrophobicContact CG2-CD2 4.24Å
107	W	98.5	Very high	97.2	Very high	80 Å²	80	53.6 Å²	53.6	30%	0.303	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	137.7	176.4	-71.6	14.2	0	0	0	109.8	I97 N98 Q100 K116 R117	I97-W107 CarbonylContact C-O 3.55Å; I97-W107 VanDerWaalsContact CA-O 3.31Å; I97-W107 WeakPolarHBondContact CA-O 3.18Å; N98-W107 PolarHBondContact N-O 3.44Å; N98-W107 PolarHBondContact O-N 3.43Å; Q100-W107 HydrophobicContact CG-CB 4.17Å; Q100-W107 HydrophobicContact CG-CD2 3.57Å; Q100-W107 HydrophobicContact CG-CE3 4.18Å; Q100-W107 HydrophobicContact CG-CG 3.55Å; Q100-W107 HydrophobicContact CG-CZ2 4.34Å; W107-K116 WeakPolarHBondContact CA-O 3.48Å; W107-R117 HydrophobicContact CD2-CG 4.18Å; W107-R117 HydrophobicContact CG-CG 4.09Å
108	L	98.6	Very high	97.2	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	133.5	176.5	172.3	67.1	0	0	0	108.5	Y95 V96 I97 P115 K116 Y118 L134 L137 L138	Y95-L108 HydrophobicContact CD1-CD1 4.22Å; V96-L108 CarbonylContact O-C 3.53Å; V96-L108 WeakPolarHBondContact O-CA 3.32Å; I97-L108 HydrophobicContact CD1-CD1 4.25Å; I97-L108 HydrophobicContact CG1-CD1 3.76Å; L108-P115 CarbonylContact O-C 3.58Å; L108-P115 VanDerWaalsContact O-CA 3.24Å; L108-P115 WeakPolarHBondContact O-CA 3.14Å; L108-K116 HydrophobicContact CB-CB 4.47Å; L108-K116 PolarHBondContact N-O 2.98Å; L108-K116 PolarHBondContact O-N 3.27Å; L108-Y118 HydrophobicContact CB-CD2 4.41Å; L108-Y118 HydrophobicContact CB-CE2 3.79Å; L108-Y118 HydrophobicContact CD2-CE2 4.04Å; L108-L134 HydrophobicContact CB-CD1 4.01Å; L108-L134 HydrophobicContact CD2-CD1 4.01Å; L108-L134 HydrophobicContact CG-CD1 4.42Å; L108-L137 HydrophobicContact CD2-CD2 3.65Å; L108-L138 HydrophobicContact CD1-CD2 4.33Å
109	S	98.2	Very high	97.1	Very high	57 Å²	57	52.8 Å²	52.8	40%	0.399	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	111.8	158.9	-172.6	0	0	0	0	107.7	Y95 V96	Y95-S109 WeakPolarHBondContact CA-O 3.42Å; V96-S109 PolarHBondContact N-O 3.49Å; V96-S109 PolarHBondContact O-N 3.2Å
110	S	97.5	Very high	97.1	Very high	5 Å²	5	53.2 Å²	53.2	4%	0.035	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	138.8	173.7	162.7	0	0	0	0	110.5	I112 S113 G114 E141	S110-I112 PolarHBondContact O-N 2.86Å; S110-I112 PolarHBondContact OG-N 3.45Å; S110-S113 WeakPolarHBondContact CB-OG 3.11Å; S110-S113 PolarHBondContact OG-N 3.5Å; S110-S113 PolarHBondContact OG-OG 3.03Å; S110-G114 PolarHBondContact N-O 2.85Å; S110-G114 VanDerWaalsContact N-O 3.12Å; S110-G114 VanDerWaalsContact O-CA 3.26Å; S110-G114 WeakPolarHBondContact O-CA 3.48Å; S110-G114 PolarHBondContact O-N 3.33Å; S110-E141 WeakPolarHBondContact CB-OE2 3.48Å; S110-E141 VanDerWaalsContact OG-CD 3.3Å; S110-E141 PolarHBondContact OG-OE1 3.07Å; S110-E141 PolarHBondContact OG-OE2 3.14Å
111	P	96.4	Very high	97	Very high	59 Å²	59	51.6 Å²	51.6	38%	0.383	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-19.5	171.4	29.6	-34.3	0	0	0	113.1	Y95	Y95-P111 HydrophobicContact CD2-CG 3.95Å; Y95-P111 HydrophobicContact CE1-CG 4.45Å; Y95-P111 VanDerWaalsContact CE2-CD 3.46Å; Y95-P111 HydrophobicContact CE2-CG 3.45Å; Y95-P111 VanDerWaalsContact CE2-CG 3.45Å; Y95-P111 VanDerWaalsContact CZ-CD 3.45Å
112	I	95.8	Very high	96.8	Very high	84 Å²	84	54 Å²	54	43%	0.431	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-55.4	180	-62.9	175.4	0	0	0	110.9	S110 E141 L145	S110-I112 PolarHBondContact O-N 2.86Å; S110-I112 PolarHBondContact OG-N 3.45Å; I112-E141 HydrophobicContact CB-CG 4.39Å; I112-E141 HydrophobicContact CD1-CB 4.05Å; I112-E141 HydrophobicContact CD1-CG 4.18Å; I112-E141 HydrophobicContact CG2-CG 4.47Å; I112-L145 HydrophobicContact CD1-CD1 3.69Å; I112-L145 HydrophobicContact CD1-CD2 4.1Å; I112-L145 HydrophobicContact CD1-CG 3.85Å; I112-L145 HydrophobicContact CG1-CD1 4.42Å
113	S	96.2	Very high	96.8	Very high	39 Å²	39	50.8 Å²	50.8	27%	0.273	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-1	-170.4	64.3	0	0	0	0	115	S110 K116 E141	S110-S113 WeakPolarHBondContact CB-OG 3.11Å; S110-S113 PolarHBondContact OG-N 3.5Å; S110-S113 PolarHBondContact OG-OG 3.03Å; S113-K116 VanDerWaalsContact CB-CE 3.47Å; S113-K116 PolarHBondContact O-NZ 2.95Å; S113-K116 WeakPolarHBondContact OG-CE 3.05Å; S113-E141 WeakPolarHBondContact CB-OE1 3.26Å; S113-E141 PolarHBondContact OG-OE1 3.37Å
114	G	96.9	Very high	96.7	Very high	21 Å²	21	51.7 Å²	51.7	22%	0.216	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.7	-159.6	177.3	0	0	0	0	0	113.8	S110	S110-G114 PolarHBondContact N-O 2.85Å; S110-G114 VanDerWaalsContact N-O 3.12Å; S110-G114 VanDerWaalsContact O-CA 3.26Å; S110-G114 WeakPolarHBondContact O-CA 3.48Å; S110-G114 PolarHBondContact O-N 3.33Å
115	P	97.9	Very high	96.8	Very high	112 Å²	112	49.2 Å²	49.2	73%	0.727	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.8	134.2	-175.6	29.8	-34.2	0	0	0	112.2	L108	L108-P115 CarbonylContact O-C 3.58Å; L108-P115 VanDerWaalsContact O-CA 3.24Å; L108-P115 WeakPolarHBondContact O-CA 3.14Å
116	K	98.2	Very high	96.7	Very high	26 Å²	26	48.5 Å²	48.5	11%	0.113	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.3	175.2	-60.8	-172.5	-166.2	-58	0	111	W107 L108 S113 Y118 Y127 L137	W107-K116 WeakPolarHBondContact CA-O 3.48Å; L108-K116 HydrophobicContact CB-CB 4.47Å; L108-K116 PolarHBondContact N-O 2.98Å; L108-K116 PolarHBondContact O-N 3.27Å; S113-K116 VanDerWaalsContact CB-CE 3.47Å; S113-K116 PolarHBondContact O-NZ 2.95Å; S113-K116 WeakPolarHBondContact OG-CE 3.05Å; K116-Y118 HydrophobicContact CB-CD2 4.4Å; K116-Y118 HydrophobicContact CB-CE2 3.64Å; K116-Y127 HydrophobicContact CB-CD2 4.41Å; K116-Y127 HydrophobicContact CB-CE2 4.4Å; K116-Y127 HydrophobicContact CD-CD1 3.91Å; K116-Y127 HydrophobicContact CD-CE1 4.02Å; K116-Y127 HydrophobicContact CD-CG 4.41Å; K116-Y127 HydrophobicContact CG-CD1 4.39Å; K116-Y127 HydrophobicContact CG-CE1 4.16Å; K116-L137 HydrophobicContact CD-CD2 3.57Å; K116-L137 VanDerWaalsContact CE-CD2 3.45Å
117	R	97.8	Very high	96.7	Very high	144 Å²	144	49.6 Å²	49.6	54%	0.543	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	123.1	-179.8	-54.7	-178	-174.2	154.1	2.7	108.4	W107 Y127	W107-R117 HydrophobicContact CD2-CG 4.18Å; W107-R117 HydrophobicContact CG-CG 4.09Å; R117-Y127 VanDerWaalsContact O-CD2 3.27Å; R117-Y127 WeakPolarHBondContact O-CD2 3.29Å
118	Y	98.2	Very high	96.4	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	133.9	-174.8	-66.7	-95.3	0	0	0	110.5	Q105 I106 L108 K116 W125 I126 Y127 L134 L137	Q105-Y118 WeakPolarHBondContact CA-O 3.47Å; Q105-Y118 WeakPolarHBondContact CB-O 3.36Å; I106-Y118 PolarHBondContact N-O 3.11Å; I106-Y118 VanDerWaalsContact N-O 3.11Å; I106-Y118 PolarHBondContact O-N 3.27Å; L108-Y118 HydrophobicContact CB-CD2 4.41Å; L108-Y118 HydrophobicContact CB-CE2 3.79Å; L108-Y118 HydrophobicContact CD2-CE2 4.04Å; K116-Y118 HydrophobicContact CB-CD2 4.4Å; K116-Y118 HydrophobicContact CB-CE2 3.64Å; Y118-W125 WeakPolarHBondContact CD1-O 3.36Å; Y118-I126 WeakPolarHBondContact CA-O 3.16Å; Y118-I126 VanDerWaalsContact CD1-C 3.45Å; Y118-Y127 VanDerWaalsContact CD1-N 3.33Å; Y118-L134 HydrophobicContact CD1-CB 3.89Å; Y118-L134 HydrophobicContact CD1-CD1 4.49Å; Y118-L134 HydrophobicContact CD2-CB 4.45Å; Y118-L134 HydrophobicContact CD2-CD1 3.61Å; Y118-L134 VanDerWaalsContact CE1-CA 3.42Å; Y118-L134 HydrophobicContact CE1-CB 3.81Å; Y118-L134 HydrophobicContact CE1-CD1 4.25Å; Y118-L134 VanDerWaalsContact CE1-N 3.28Å; Y118-L134 HydrophobicContact CE2-CB 4.37Å; Y118-L134 HydrophobicContact CE2-CD1 3.29Å; Y118-L134 HydrophobicContact CE2-CG 4.43Å; Y118-L134 HydrophobicContact CG-CB 4.21Å; Y118-L134 HydrophobicContact CG-CD1 4.2Å; Y118-L137 WeakPolarHBondContact OH-CD2 3.37Å
119	D	97	Very high	96.2	Very high	29 Å²	29	60 Å²	60	16%	0.155	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	149.9	172.7	-61.9	-66.6	0	0	0	108.9	P39 Q105 V121 W125 I126	P39-D119 HydrophobicContact CB-CB 4.08Å; P39-D119 HydrophobicContact CG-CB 3.98Å; Q105-D119 WeakPolarHBondContact CG-OD1 3.11Å; Q105-D119 PolarHBondContact NE2-OD1 3.42Å; D119-V121 HydrophobicContact CB-CG2 4.42Å; D119-V121 PolarHBondContact O-N 3.36Å; D119-W125 CarbonylContact O-C 3.5Å; D119-W125 WeakPolarHBondContact O-CA 3.49Å; D119-I126 PolarHBondContact N-O 3.3Å; D119-I126 PolarHBondContact O-N 3.3Å
120	Y	96.9	Very high	95.9	Very high	43 Å²	43	61 Å²	61	17%	0.169	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	120.8	176.5	-167	-102.4	0	0	0	110.4	Q40 L42 L50 G123 K124 W125	Q40-Y120 HydrophobicContact CB-CD1 4.47Å; Q40-Y120 PolarHBondContact N-O 2.95Å; L42-Y120 HydrophobicContact CD1-CD1 4.07Å; L42-Y120 HydrophobicContact CD1-CG 3.98Å; L42-Y120 HydrophobicContact CD2-CD1 3.98Å; L42-Y120 HydrophobicContact CD2-CE1 4.48Å; L42-Y120 HydrophobicContact CG-CD1 4.38Å; L50-Y120 HydrophobicContact CB-CE2 4.48Å; L50-Y120 HydrophobicContact CD1-CD1 3.99Å; L50-Y120 HydrophobicContact CD1-CD2 4.28Å; L50-Y120 HydrophobicContact CD1-CE1 3.63Å; L50-Y120 HydrophobicContact CD1-CE2 3.96Å; L50-Y120 HydrophobicContact CD1-CG 4.28Å; L50-Y120 HydrophobicContact CD2-CE2 4.15Å; L50-Y120 WeakPolarHBondContact CD2-OH 3.43Å; L50-Y120 HydrophobicContact CG-CE2 4.44Å; Y120-G123 WeakPolarHBondContact OH-CA 3.47Å; Y120-K124 WeakPolarHBondContact CA-O 3.49Å; Y120-W125 AromaticContact CD2-CD2 3.96Å; Y120-W125 HydrophobicContact CD2-CD2 3.96Å; Y120-W125 AromaticContact CD2-CE2 3.74Å; Y120-W125 HydrophobicContact CD2-CE3 4.4Å; Y120-W125 HydrophobicContact CD2-CG 4.34Å; Y120-W125 HydrophobicContact CD2-CH2 4.44Å; Y120-W125 HydrophobicContact CD2-CZ2 4.02Å; Y120-W125 AromaticContact CD2-NE1 3.95Å
121	V	94.8	Very high	95.7	Very high	6 Å²	6	62.9 Å²	62.9	4%	0.036	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	125.4	-178	-159.3	0	0	0	0	110.3	T37 D119 G123 K124 I126	T37-V121 HydrophobicContact CG2-CG1 4.36Å; T37-V121 WeakPolarHBondContact OG1-CG1 3.41Å; D119-V121 HydrophobicContact CB-CG2 4.42Å; D119-V121 PolarHBondContact O-N 3.36Å; V121-G123 PolarHBondContact O-N 3Å; V121-G123 VanDerWaalsContact O-N 3.11Å; V121-K124 PolarHBondContact N-O 2.83Å; V121-K124 PolarHBondContact O-N 3.48Å; V121-I126 HydrophobicContact CB-CB 4.38Å; V121-I126 HydrophobicContact CB-CG1 4.04Å; V121-I126 HydrophobicContact CG2-CB 4.1Å; V121-I126 HydrophobicContact CG2-CG1 4.32Å
122	D	91.2	Very high	95.7	Very high	113 Å²	113	63.5 Å²	63.5	60%	0.604	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	44.3	172.7	-54.9	-20.6	0	0	0	114.1	Q40	Q40-D122 PolarHBondContact NE2-OD1 3.04Å
123	G	93	Very high	95.7	Very high	50 Å²	50	59.8 Å²	59.8	52%	0.515	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	-0.1	177.9	0	0	0	0	0	115.3	Y120 V121	Y120-G123 WeakPolarHBondContact OH-CA 3.47Å; V121-G123 PolarHBondContact O-N 3Å; V121-G123 VanDerWaalsContact O-N 3.11Å
124	K	95.4	Very high	95.7	Very high	112 Å²	112	58 Å²	58	49%	0.487	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	155.1	-174.1	-63.3	-177.7	-179	-177.9	0	112.1	Y120 V121 I126	Y120-K124 WeakPolarHBondContact CA-O 3.49Å; V121-K124 PolarHBondContact N-O 2.83Å; V121-K124 PolarHBondContact O-N 3.48Å; K124-I126 HydrophobicContact CB-CD1 3.69Å; K124-I126 HydrophobicContact CB-CG1 4.13Å; K124-I126 HydrophobicContact CD-CD1 4.41Å
125	W	97.3	Very high	95.7	Very high	15 Å²	15	59.8 Å²	59.8	6%	0.057	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	106.1	170.9	-67.5	97.4	0	0	0	109.2	Y47 L50 A51 L54 I106 Y118 D119 Y120 S133 L134	Y47-W125 AromaticContact CD2-CH2 3.73Å; Y47-W125 HydrophobicContact CD2-CH2 3.73Å; Y47-W125 AromaticContact CE2-CH2 3.61Å; Y47-W125 HydrophobicContact CE2-CH2 3.61Å; Y47-W125 HydrophobicContact CE2-CZ3 4.23Å; L50-W125 HydrophobicContact CB-CZ2 4.13Å; A51-W125 HydrophobicContact CB-CZ2 4.21Å; L54-W125 HydrophobicContact CD2-CB 4.43Å; L54-W125 HydrophobicContact CD2-CD2 4.2Å; L54-W125 HydrophobicContact CD2-CG 3.71Å; I106-W125 HydrophobicContact CB-CD2 4.42Å; I106-W125 HydrophobicContact CB-CE3 4.13Å; I106-W125 HydrophobicContact CB-CZ3 4.42Å; I106-W125 HydrophobicContact CD1-CH2 4.47Å; I106-W125 HydrophobicContact CD1-CZ2 4.49Å; I106-W125 HydrophobicContact CG1-CD2 3.75Å; I106-W125 HydrophobicContact CG1-CE3 3.65Å; I106-W125 HydrophobicContact CG1-CH2 3.83Å; I106-W125 HydrophobicContact CG1-CZ2 3.91Å; I106-W125 HydrophobicContact CG1-CZ3 3.7Å; Y118-W125 WeakPolarHBondContact CD1-O 3.36Å; D119-W125 CarbonylContact O-C 3.5Å; D119-W125 WeakPolarHBondContact O-CA 3.49Å; Y120-W125 AromaticContact CD2-CD2 3.96Å; Y120-W125 HydrophobicContact CD2-CD2 3.96Å; Y120-W125 AromaticContact CD2-CE2 3.74Å; Y120-W125 HydrophobicContact CD2-CE3 4.4Å; Y120-W125 HydrophobicContact CD2-CG 4.34Å; Y120-W125 HydrophobicContact CD2-CH2 4.44Å; Y120-W125 HydrophobicContact CD2-CZ2 4.02Å; Y120-W125 AromaticContact CD2-NE1 3.95Å; W125-S133 CarbonylContact O-C 3.48Å; W125-S133 WeakPolarHBondContact O-CA 3.37Å; W125-L134 HydrophobicContact CB-CB 4.1Å; W125-L134 PolarHBondContact O-N 3.1Å
126	I	97.4	Very high	95.6	Very high	18 Å²	18	58.4 Å²	58.4	9%	0.092	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.1	-170.1	-57.8	-56.8	0	0	0	111.1	Y118 D119 V121 K124	Y118-I126 WeakPolarHBondContact CA-O 3.16Å; Y118-I126 VanDerWaalsContact CD1-C 3.45Å; D119-I126 PolarHBondContact N-O 3.3Å; D119-I126 PolarHBondContact O-N 3.3Å; V121-I126 HydrophobicContact CB-CB 4.38Å; V121-I126 HydrophobicContact CB-CG1 4.04Å; V121-I126 HydrophobicContact CG2-CB 4.1Å; V121-I126 HydrophobicContact CG2-CG1 4.32Å; K124-I126 HydrophobicContact CB-CD1 3.69Å; K124-I126 HydrophobicContact CB-CG1 4.13Å; K124-I126 HydrophobicContact CD-CD1 4.41Å
127	Y	97	Very high	95.5	Very high	23 Å²	23	57.7 Å²	57.7	9%	0.09	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	115	169.8	-178.5	-141.1	0	0	0	109.8	K116 R117 Y118 R129 D130 G131 K132	K116-Y127 HydrophobicContact CB-CD2 4.41Å; K116-Y127 HydrophobicContact CB-CE2 4.4Å; K116-Y127 HydrophobicContact CD-CD1 3.91Å; K116-Y127 HydrophobicContact CD-CE1 4.02Å; K116-Y127 HydrophobicContact CD-CG 4.41Å; K116-Y127 HydrophobicContact CG-CD1 4.39Å; K116-Y127 HydrophobicContact CG-CE1 4.16Å; R117-Y127 VanDerWaalsContact O-CD2 3.27Å; R117-Y127 WeakPolarHBondContact O-CD2 3.29Å; Y118-Y127 VanDerWaalsContact CD1-N 3.33Å; Y127-R129 HydrophobicContact CD1-CB 4.15Å; Y127-R129 HydrophobicContact CE1-CB 3.64Å; Y127-R129 HydrophobicContact CE1-CG 4.07Å; Y127-R129 HydrophobicContact CE2-CB 4.16Å; Y127-R129 HydrophobicContact CE2-CG 3.78Å; Y127-R129 PolarHBondContact O-N 3.12Å; Y127-R129 WeakPolarHBondContact OH-CD 3.4Å; Y127-R129 PolarHBondContact OH-NE 2.78Å; Y127-D130 WeakPolarHBondContact CD1-OD1 3.45Å; Y127-D130 WeakPolarHBondContact CD1-OD2 3.39Å; Y127-D130 PolarHBondContact O-N 3.3Å; Y127-G131 WeakPolarHBondContact O-CA 3.41Å; Y127-G131 PolarHBondContact O-N 2.87Å; Y127-K132 PolarHBondContact N-O 2.78Å
128	S	92.5	Very high	95.4	Very high	94 Å²	94	50.8 Å²	50.8	66%	0.657	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.1	-173.1	52.7	0	0	0	0	115.4
129	R	94.1	Very high	95.2	Very high	209 Å²	209	53.9 Å²	53.9	79%	0.789	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-33.3	-178.3	-59.5	-159.6	-169.2	172.5	-4.8	114.3	Y127	Y127-R129 HydrophobicContact CD1-CB 4.15Å; Y127-R129 HydrophobicContact CE1-CB 3.64Å; Y127-R129 HydrophobicContact CE1-CG 4.07Å; Y127-R129 HydrophobicContact CE2-CB 4.16Å; Y127-R129 HydrophobicContact CE2-CG 3.78Å; Y127-R129 PolarHBondContact O-N 3.12Å; Y127-R129 WeakPolarHBondContact OH-CD 3.4Å; Y127-R129 PolarHBondContact OH-NE 2.78Å
130	D	93.1	Very high	95.1	Very high	78 Å²	78	56.6 Å²	56.6	42%	0.417	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	-8.7	-178.5	61.3	14.7	0	0	0	113.5	Y127 K132	Y127-D130 WeakPolarHBondContact CD1-OD1 3.45Å; Y127-D130 WeakPolarHBondContact CD1-OD2 3.39Å; Y127-D130 PolarHBondContact O-N 3.3Å; D130-K132 PolarHBondContact O-N 2.77Å; D130-K132 WeakPolarHBondContact OD1-CB 3.49Å; D130-K132 PolarHBondContact OD1-N 3.07Å
131	G	93.5	Very high	95	Very high	45 Å²	45	54.8 Å²	54.8	46%	0.464	29%	0.285	S	S	.	.			trans	74.7	5.1	-179.1	0	0	0	0	0	114.2	Y127	Y127-G131 WeakPolarHBondContact O-CA 3.41Å; Y127-G131 PolarHBondContact O-N 2.87Å
132	K	95	Very high	95	Very high	72 Å²	72	54.5 Å²	54.5	31%	0.313	28%	0.283	S	S	.	.			trans	-77.6	143.4	179.1	-67.9	-167.4	175.2	-159.8	0	111	Y127 D130 E140	Y127-K132 PolarHBondContact N-O 2.78Å; D130-K132 PolarHBondContact O-N 2.77Å; D130-K132 WeakPolarHBondContact OD1-CB 3.49Å; D130-K132 PolarHBondContact OD1-N 3.07Å; K132-E140 IonicContact NZ-OE1 2.79Å; K132-E140 PolarHBondContact NZ-OE1 3.17Å; K132-E140 IonicContact NZ-OE2 2.87Å; K132-E140 PolarHBondContact NZ-OE2 3.3Å
133	S	96	Very high	95	Very high	6 Å²	6	57 Å²	57	4%	0.042	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-78	153.4	171.1	71.1	0	0	0	0	112	W125 K135 E136 L137	W125-S133 CarbonylContact O-C 3.48Å; W125-S133 WeakPolarHBondContact O-CA 3.37Å; S133-K135 PolarHBondContact O-N 2.85Å; S133-E136 VanDerWaalsContact CB-OE2 3.28Å; S133-E136 WeakPolarHBondContact CB-OE2 3.15Å; S133-E136 PolarHBondContact N-OE2 2.57Å; S133-E136 PolarHBondContact O-N 3.3Å; S133-E136 WeakPolarHBondContact OG-CB 3.18Å; S133-E136 WeakPolarHBondContact OG-CG 3.48Å; S133-E136 PolarHBondContact OG-N 2.76Å; S133-E136 PolarHBondContact OG-OE2 3.02Å; S133-L137 PolarHBondContact O-N 2.54Å
134	L	97.3	Very high	94.9	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-51.8	-46.4	174.5	-178.8	81.6	0	0	0	111	L54 L58 I97 I106 L108 Y118 W125 L137 L138	L54-L134 HydrophobicContact CD1-CD2 4.2Å; L54-L134 HydrophobicContact CD2-CD2 3.4Å; L54-L134 HydrophobicContact CG-CD2 4.16Å; L58-L134 HydrophobicContact CD1-CD2 4.03Å; I97-L134 HydrophobicContact CG2-CD2 4.36Å; I106-L134 HydrophobicContact CG2-CD2 4.24Å; L108-L134 HydrophobicContact CB-CD1 4.01Å; L108-L134 HydrophobicContact CD2-CD1 4.01Å; L108-L134 HydrophobicContact CG-CD1 4.42Å; Y118-L134 HydrophobicContact CD1-CB 3.89Å; Y118-L134 HydrophobicContact CD1-CD1 4.49Å; Y118-L134 HydrophobicContact CD2-CB 4.45Å; Y118-L134 HydrophobicContact CD2-CD1 3.61Å; Y118-L134 VanDerWaalsContact CE1-CA 3.42Å; Y118-L134 HydrophobicContact CE1-CB 3.81Å; Y118-L134 HydrophobicContact CE1-CD1 4.25Å; Y118-L134 VanDerWaalsContact CE1-N 3.28Å; Y118-L134 HydrophobicContact CE2-CB 4.37Å; Y118-L134 HydrophobicContact CE2-CD1 3.29Å; Y118-L134 HydrophobicContact CE2-CG 4.43Å; Y118-L134 HydrophobicContact CG-CB 4.21Å; Y118-L134 HydrophobicContact CG-CD1 4.2Å; W125-L134 HydrophobicContact CB-CB 4.1Å; W125-L134 PolarHBondContact O-N 3.1Å; L134-L137 PolarHBondContact O-N 3.24Å; L134-L138 HydrophobicContact CD2-CD1 4.46Å; L134-L138 HydrophobicContact CG-CD1 4.07Å; L134-L138 VanDerWaalsContact O-CG 3.32Å; L134-L138 WeakPolarHBondContact O-CG 3.27Å; L134-L138 PolarHBondContact O-N 2.82Å
135	K	96.1	Very high	94.7	Very high	59 Å²	59	57.8 Å²	57.8	26%	0.257	28%	0.277	S	S	.	.	H	α-helix	trans	-64.3	-43.8	-178.6	-72.3	-177.3	167.4	-167.7	0	112.2	L54 S133 L138 K139 F156	L54-K135 HydrophobicContact CD1-CD 4.43Å; L54-K135 HydrophobicContact CD1-CG 4.24Å; S133-K135 PolarHBondContact O-N 2.85Å; K135-L138 PolarHBondContact O-N 3.21Å; K135-K139 WeakPolarHBondContact O-CG 3.42Å; K135-K139 PolarHBondContact O-N 3.27Å; K135-F156 HydrophobicContact CB-CD2 3.68Å; K135-F156 HydrophobicContact CB-CE2 3.9Å; K135-F156 HydrophobicContact CD-CB 4.05Å; K135-F156 HydrophobicContact CD-CD2 3.77Å; K135-F156 HydrophobicContact CD-CG 4.31Å; K135-F156 WeakPolarHBondContact CD-OXT 3.43Å; K135-F156 WeakPolarHBondContact CE-OXT 3.34Å; K135-F156 HydrophobicContact CG-CD2 3.58Å; K135-F156 HydrophobicContact CG-CE2 4.07Å; K135-F156 HydrophobicContact CG-CG 4.42Å; K135-F156 PolarHBondContact NZ-OXT 3.15Å
136	E	95.1	Very high	94.4	Very high	82 Å²	82	57.6 Å²	57.6	38%	0.383	28%	0.277	S	S	.	.	H	α-helix	trans	-62.2	-46.2	176.5	-74.6	157.5	164.3	0	0	111.4	S133 L138 K139 E140	S133-E136 VanDerWaalsContact CB-OE2 3.28Å; S133-E136 WeakPolarHBondContact CB-OE2 3.15Å; S133-E136 PolarHBondContact N-OE2 2.57Å; S133-E136 PolarHBondContact O-N 3.3Å; S133-E136 WeakPolarHBondContact OG-CB 3.18Å; S133-E136 WeakPolarHBondContact OG-CG 3.48Å; S133-E136 PolarHBondContact OG-N 2.76Å; S133-E136 PolarHBondContact OG-OE2 3.02Å; E136-L138 PolarHBondContact O-N 3Å; E136-K139 PolarHBondContact O-N 2.99Å; E136-E140 WeakPolarHBondContact O-CG 3.1Å; E136-E140 PolarHBondContact O-N 2.77Å
137	L	96.2	Very high	93.8	Very high	11 Å²	11	59.2 Å²	59.2	6%	0.058	29%	0.289	C	S	.	.	H	α-helix	trans	-60.9	-45.9	177.8	-177.3	73.1	0	0	0	111.7	L108 K116 Y118 S133 L134 K139 E140 E141	L108-L137 HydrophobicContact CD2-CD2 3.65Å; K116-L137 HydrophobicContact CD-CD2 3.57Å; K116-L137 VanDerWaalsContact CE-CD2 3.45Å; Y118-L137 WeakPolarHBondContact OH-CD2 3.37Å; S133-L137 PolarHBondContact O-N 2.54Å; L134-L137 PolarHBondContact O-N 3.24Å; L137-K139 VanDerWaalsContact C-N 3.33Å; L137-K139 PolarHBondContact O-N 3.03Å; L137-E140 PolarHBondContact O-N 3.22Å; L137-E141 HydrophobicContact CD1-CG 4.36Å; L137-E141 HydrophobicContact CG-CG 4.47Å; L137-E141 WeakPolarHBondContact O-CG 3.34Å; L137-E141 PolarHBondContact O-N 3.35Å
138	L	96.5	Very high	93.1	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.2	-43.2	177.8	-72.6	171.6	0	0	0	111.3	L58 Y95 I97 L108 L134 K135 E136 E140 E141 L142	L58-L138 HydrophobicContact CD1-CD1 4.05Å; L58-L138 HydrophobicContact CD2-CD1 3.88Å; Y95-L138 HydrophobicContact CD1-CD2 3.95Å; Y95-L138 HydrophobicContact CE1-CD2 4.13Å; I97-L138 HydrophobicContact CD1-CD1 3.89Å; I97-L138 HydrophobicContact CD1-CD2 4.36Å; L108-L138 HydrophobicContact CD1-CD2 4.33Å; L134-L138 HydrophobicContact CD2-CD1 4.46Å; L134-L138 HydrophobicContact CG-CD1 4.07Å; L134-L138 VanDerWaalsContact O-CG 3.32Å; L134-L138 WeakPolarHBondContact O-CG 3.27Å; L134-L138 PolarHBondContact O-N 2.82Å; K135-L138 PolarHBondContact O-N 3.21Å; E136-L138 PolarHBondContact O-N 3Å; L138-E140 PolarHBondContact O-N 3.29Å; L138-E141 PolarHBondContact O-N 3.02Å; L138-L142 HydrophobicContact CB-CD1 4.43Å; L138-L142 WeakPolarHBondContact O-CB 3.19Å; L138-L142 WeakPolarHBondContact O-CG 3.24Å; L138-L142 PolarHBondContact O-N 3.37Å
139	K	94.4	Very high	92.6	Very high	66 Å²	66	65.8 Å²	65.8	29%	0.287	31%	0.313	S	S	.	.	H	α-helix	trans	-60.9	-45.4	175.8	-73.4	-179.1	-169.2	-163.5	0	112.3	K135 E136 L137 R143 F154 F156	K135-K139 WeakPolarHBondContact O-CG 3.42Å; K135-K139 PolarHBondContact O-N 3.27Å; E136-K139 PolarHBondContact O-N 2.99Å; L137-K139 VanDerWaalsContact C-N 3.33Å; L137-K139 PolarHBondContact O-N 3.03Å; K139-R143 WeakPolarHBondContact O-CB 3.39Å; K139-R143 PolarHBondContact O-N 3.27Å; K139-F154 HydrophobicContact CD-CB 4.18Å; K139-F154 WeakPolarHBondContact CE-O 3.07Å; K139-F154 HydrophobicContact CG-CB 3.8Å; K139-F154 HydrophobicContact CG-CD2 4.48Å; K139-F154 HydrophobicContact CG-CG 4.34Å; K139-F154 PolarHBondContact NZ-O 3.12Å; K139-F156 HydrophobicContact CD-CE2 4.3Å; K139-F156 WeakPolarHBondContact CE-O 3.13Å; K139-F156 HydrophobicContact CG-CE2 3.81Å; K139-F156 HydrophobicContact CG-CZ 4.26Å; K139-F156 PolarHBondContact NZ-O 3.32Å
140	E	94.1	Very high	92	Very high	85 Å²	85	55.9 Å²	55.9	40%	0.397	28%	0.276	S	S	.	.	H	α-helix	trans	-61.8	-44.5	179.4	-74.2	177.7	-173	0	0	112.1	K132 E136 L137 L138 Q144	K132-E140 IonicContact NZ-OE1 2.79Å; K132-E140 PolarHBondContact NZ-OE1 3.17Å; K132-E140 IonicContact NZ-OE2 2.87Å; K132-E140 PolarHBondContact NZ-OE2 3.3Å; E136-E140 WeakPolarHBondContact O-CG 3.1Å; E136-E140 PolarHBondContact O-N 2.77Å; L137-E140 PolarHBondContact O-N 3.22Å; L138-E140 PolarHBondContact O-N 3.29Å; E140-Q144 WeakPolarHBondContact O-CG 3.45Å; E140-Q144 PolarHBondContact O-NE2 3.26Å
141	E	95.3	Very high	91	Very high	6 Å²	6	53.9 Å²	53.9	3%	0.028	27%	0.266	C	S	.	.	H	α-helix	trans	-74.8	-45.8	-178.4	-72.7	-173.5	-172.2	0	0	112.3	Y95 S110 I112 S113 L137 L138 R143 Q144 L145	Y95-E141 WeakPolarHBondContact CE1-OE2 3.49Å; Y95-E141 WeakPolarHBondContact OH-CB 3Å; Y95-E141 PolarHBondContact OH-OE2 2.93Å; S110-E141 WeakPolarHBondContact CB-OE2 3.48Å; S110-E141 VanDerWaalsContact OG-CD 3.3Å; S110-E141 PolarHBondContact OG-OE1 3.07Å; S110-E141 PolarHBondContact OG-OE2 3.14Å; I112-E141 HydrophobicContact CB-CG 4.39Å; I112-E141 HydrophobicContact CD1-CB 4.05Å; I112-E141 HydrophobicContact CD1-CG 4.18Å; I112-E141 HydrophobicContact CG2-CG 4.47Å; S113-E141 WeakPolarHBondContact CB-OE1 3.26Å; S113-E141 PolarHBondContact OG-OE1 3.37Å; L137-E141 HydrophobicContact CD1-CG 4.36Å; L137-E141 HydrophobicContact CG-CG 4.47Å; L137-E141 WeakPolarHBondContact O-CG 3.34Å; L137-E141 PolarHBondContact O-N 3.35Å; L138-E141 PolarHBondContact O-N 3.02Å; E141-R143 VanDerWaalsContact C-N 3.25Å; E141-R143 PolarHBondContact O-N 3.02Å; E141-Q144 WeakPolarHBondContact O-CB 3.45Å; E141-Q144 PolarHBondContact O-N 3.4Å; E141-L145 PolarHBondContact O-N 2.81Å
142	L	93.8	Very high	90.4	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-31.9	179.2	-67.3	174	0	0	0	111.6	F62 L86 L88 Y95 L138 Q144 L145 L146 F154	F62-L142 HydrophobicContact CE1-CD1 3.6Å; F62-L142 HydrophobicContact CZ-CD1 4.1Å; L86-L142 HydrophobicContact CD2-CD2 4.14Å; L88-L142 HydrophobicContact CD1-CD2 3.93Å; L88-L142 HydrophobicContact CD2-CD2 3.89Å; L88-L142 HydrophobicContact CG-CD2 4.47Å; Y95-L142 HydrophobicContact CE2-CD2 4.37Å; L138-L142 HydrophobicContact CB-CD1 4.43Å; L138-L142 WeakPolarHBondContact O-CB 3.19Å; L138-L142 WeakPolarHBondContact O-CG 3.24Å; L138-L142 PolarHBondContact O-N 3.37Å; L142-Q144 PolarHBondContact O-N 2.81Å; L142-L145 PolarHBondContact O-N 2.88Å; L142-L146 HydrophobicContact CB-CD1 4.26Å; L142-L146 HydrophobicContact CD2-CD1 4.4Å; L142-L146 VanDerWaalsContact O-CB 3.27Å; L142-L146 WeakPolarHBondContact O-CB 3.39Å; L142-L146 WeakPolarHBondContact O-CG 3.41Å; L142-L146 PolarHBondContact O-N 2.83Å; L142-F154 HydrophobicContact CB-CE2 3.79Å; L142-F154 HydrophobicContact CB-CZ 3.75Å; L142-F154 HydrophobicContact CD1-CE1 3.79Å; L142-F154 HydrophobicContact CD1-CE2 4.32Å; L142-F154 HydrophobicContact CD1-CZ 3.66Å; L142-F154 HydrophobicContact CG-CZ 4.32Å
143	R	92	Very high	89.6	Confident	164 Å²	164	59 Å²	59	62%	0.619	29%	0.285	S	S	*	.	H	α-helix	trans	-61.4	-27.8	171.8	174	169.3	-174.6	174.7	1.5	113.5	K139 E141 V151	K139-R143 WeakPolarHBondContact O-CB 3.39Å; K139-R143 PolarHBondContact O-N 3.27Å; E141-R143 VanDerWaalsContact C-N 3.25Å; E141-R143 PolarHBondContact O-N 3.02Å; R143-V151 HydrophobicContact CB-CG1 4.4Å; R143-V151 HydrophobicContact CB-CG2 3.81Å; R143-V151 HydrophobicContact CG-CG1 4.42Å; R143-V151 HydrophobicContact CG-CG2 3.7Å
144	Q	91.5	Very high	88.9	Confident	140 Å²	140	59.1 Å²	59.1	65%	0.654	29%	0.285	S	S	*	.	H	α-helix	trans	-82.6	-28.5	177.5	-67.1	168.9	69.8	0	0	112.1	E140 E141 L142	E140-Q144 WeakPolarHBondContact O-CG 3.45Å; E140-Q144 PolarHBondContact O-NE2 3.26Å; E141-Q144 WeakPolarHBondContact O-CB 3.45Å; E141-Q144 PolarHBondContact O-N 3.4Å; L142-Q144 PolarHBondContact O-N 2.81Å
145	L	91.2	Very high	87.8	Confident	39 Å²	39	64.3 Å²	64.3	20%	0.204	32%	0.321	C	S	.	.	H	α-helix	trans	-96.7	-24.5	-174.5	-64.2	179.8	0	0	0	113.9	L88 K92 Y95 I112 E141 L142	L88-L145 HydrophobicContact CD1-CB 4.06Å; L88-L145 HydrophobicContact CD1-CD1 3.36Å; L88-L145 HydrophobicContact CD1-CG 4.36Å; K92-L145 HydrophobicContact CB-CD2 4.48Å; K92-L145 HydrophobicContact CD-CB 4.44Å; K92-L145 WeakPolarHBondContact CD-O 3.47Å; K92-L145 WeakPolarHBondContact CE-O 3.4Å; K92-L145 PolarHBondContact NZ-O 3.35Å; Y95-L145 HydrophobicContact CE2-CD1 4.06Å; I112-L145 HydrophobicContact CD1-CD1 3.69Å; I112-L145 HydrophobicContact CD1-CD2 4.1Å; I112-L145 HydrophobicContact CD1-CG 3.85Å; I112-L145 HydrophobicContact CG1-CD1 4.42Å; E141-L145 PolarHBondContact O-N 2.81Å; L142-L145 PolarHBondContact O-N 2.88Å
146	L	89.9	Confident	86.8	Confident	11 Å²	11	63.5 Å²	63.5	6%	0.058	32%	0.318	C	S	.	.	S	Bend	trans	-108.2	153.4	-176.7	-60.7	-179.7	0	0	0	111.9	L65 L71 L88 L142 A150 F154	L65-L146 HydrophobicContact CD1-CD1 4.03Å; L71-L146 HydrophobicContact CD2-CD2 3.64Å; L88-L146 HydrophobicContact CD2-CD2 4.24Å; L142-L146 HydrophobicContact CB-CD1 4.26Å; L142-L146 HydrophobicContact CD2-CD1 4.4Å; L142-L146 VanDerWaalsContact O-CB 3.27Å; L142-L146 WeakPolarHBondContact O-CB 3.39Å; L142-L146 WeakPolarHBondContact O-CG 3.41Å; L142-L146 PolarHBondContact O-N 2.83Å; L146-A150 HydrophobicContact CB-CB 3.76Å; L146-A150 HydrophobicContact CD1-CB 4.07Å; L146-F154 HydrophobicContact CD1-CZ 3.86Å
147	P	86.1	Confident	86.4	Confident	53 Å²	53	62.6 Å²	62.6	34%	0.344	32%	0.315	S	S	.	.			trans	-52.6	148.2	170.8	-28.6	38.1	0	0	0	113	V69 N149 A150	V69-P147 HydrophobicContact CG1-CB 3.85Å; V69-P147 HydrophobicContact CG1-CG 3.67Å; P147-N149 WeakPolarHBondContact CB-OD1 3.32Å; P147-N149 PolarHBondContact O-N 3.35Å; P147-N149 VanDerWaalsContact O-N 3.11Å; P147-A150 WeakPolarHBondContact O-CB 3.48Å; P147-A150 PolarHBondContact O-N 2.79Å
148	Q	81.8	Confident	85.9	Confident	171 Å²	171	65.3 Å²	65.3	80%	0.799	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-27	-171	-69.9	-176.3	14.7	0	0	114.4	A150 V151	Q148-A150 VanDerWaalsContact C-N 3.28Å; Q148-A150 PolarHBondContact O-N 3.08Å; Q148-V151 PolarHBondContact O-N 2.93Å
149	N	81.9	Confident	85.3	Confident	84 Å²	84	68.9 Å²	68.9	45%	0.449	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-28.1	175	57.6	-35	0	0	0	112.8	P147 V151 T152	P147-N149 WeakPolarHBondContact CB-OD1 3.32Å; P147-N149 PolarHBondContact O-N 3.35Å; P147-N149 VanDerWaalsContact O-N 3.11Å; N149-V151 VanDerWaalsContact C-N 3.29Å; N149-V151 PolarHBondContact O-N 3.32Å; N149-T152 PolarHBondContact O-OG1 2.9Å
150	A	80.6	Confident	84.7	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.008	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-61.9	-36.9	178	0	0	0	0	0	112.7	L65 V69 L146 P147 Q148 T152 K153	L65-A150 HydrophobicContact CD2-CB 4.49Å; V69-A150 HydrophobicContact CG2-CB 3.73Å; L146-A150 HydrophobicContact CB-CB 3.76Å; L146-A150 HydrophobicContact CD1-CB 4.07Å; P147-A150 WeakPolarHBondContact O-CB 3.48Å; P147-A150 PolarHBondContact O-N 2.79Å; Q148-A150 VanDerWaalsContact C-N 3.28Å; Q148-A150 PolarHBondContact O-N 3.08Å; A150-T152 PolarHBondContact O-N 3.13Å; A150-T152 VanDerWaalsContact O-N 3.12Å; A150-K153 WeakPolarHBondContact O-CB 3.24Å; A150-K153 PolarHBondContact O-N 3.06Å
151	V	73.4	Confident	84.2	Confident	36 Å²	36	68.1 Å²	68.1	22%	0.218	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-59.5	-33	-171	-173.7	0	0	0	0	111.9	R143 Q148 N149 K153 F154	R143-V151 HydrophobicContact CB-CG1 4.4Å; R143-V151 HydrophobicContact CB-CG2 3.81Å; R143-V151 HydrophobicContact CG-CG1 4.42Å; R143-V151 HydrophobicContact CG-CG2 3.7Å; Q148-V151 PolarHBondContact O-N 2.93Å; N149-V151 VanDerWaalsContact C-N 3.29Å; N149-V151 PolarHBondContact O-N 3.32Å; V151-K153 PolarHBondContact O-N 2.97Å; V151-F154 PolarHBondContact O-N 3.29Å
152	T	79.7	Confident	83.4	Confident	112 Å²	112	72.3 Å²	72.3	69%	0.687	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-66.5	-14.6	179.9	65.7	0	0	0	0	113.7	N149 A150	N149-T152 PolarHBondContact O-OG1 2.9Å; A150-T152 PolarHBondContact O-N 3.13Å; A150-T152 VanDerWaalsContact O-N 3.12Å
153	K	79.4	Confident	82.7	Confident	112 Å²	112	77.4 Å²	77.4	49%	0.487	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-90	-13.8	-179.2	-56.3	-56.9	-175.1	175.8	0	113.8	L65 A68 A150 V151 S155	L65-K153 HydrophobicContact CD2-CB 4.46Å; A68-K153 HydrophobicContact CB-CG 4.16Å; A150-K153 WeakPolarHBondContact O-CB 3.24Å; A150-K153 PolarHBondContact O-N 3.06Å; V151-K153 PolarHBondContact O-N 2.97Å; K153-S155 PolarHBondContact O-N 3.21Å
154	F	81.3	Confident	82	Confident	8 Å²	8	70.8 Å²	70.8	4%	0.035	38%	0.377	C	S	.	.			trans	-78.9	74.4	175.8	-54.9	-52.4	0	0	0	110.7	T61 F62 L65 K139 L142 L146 V151 F156	T61-F154 HydrophobicContact CG2-CD1 3.77Å; T61-F154 HydrophobicContact CG2-CE1 4.26Å; F62-F154 HydrophobicContact CD1-CE1 4.48Å; F62-F154 HydrophobicContact CE1-CE1 4.23Å; L65-F154 HydrophobicContact CD1-CE1 4.04Å; L65-F154 HydrophobicContact CD1-CZ 4.24Å; L65-F154 HydrophobicContact CD2-CE1 3.99Å; L65-F154 HydrophobicContact CD2-CZ 4.13Å; L65-F154 HydrophobicContact CG-CE1 4.46Å; K139-F154 HydrophobicContact CD-CB 4.18Å; K139-F154 WeakPolarHBondContact CE-O 3.07Å; K139-F154 HydrophobicContact CG-CB 3.8Å; K139-F154 HydrophobicContact CG-CD2 4.48Å; K139-F154 HydrophobicContact CG-CG 4.34Å; K139-F154 PolarHBondContact NZ-O 3.12Å; L142-F154 HydrophobicContact CB-CE2 3.79Å; L142-F154 HydrophobicContact CB-CZ 3.75Å; L142-F154 HydrophobicContact CD1-CE1 3.79Å; L142-F154 HydrophobicContact CD1-CE2 4.32Å; L142-F154 HydrophobicContact CD1-CZ 3.66Å; L142-F154 HydrophobicContact CG-CZ 4.32Å; L146-F154 HydrophobicContact CD1-CZ 3.86Å; V151-F154 PolarHBondContact O-N 3.29Å; F154-F156 VanDerWaalsContact C-N 3.27Å; F154-F156 HydrophobicContact CB-CE1 4.08Å; F154-F156 HydrophobicContact CB-CE2 4.44Å; F154-F156 HydrophobicContact CB-CZ 3.99Å; F154-F156 AromaticContact CD1-CE1 3.69Å; F154-F156 HydrophobicContact CD1-CE1 3.69Å; F154-F156 AromaticContact CD1-CZ 3.88Å; F154-F156 HydrophobicContact CD1-CZ 3.88Å; F154-F156 HydrophobicContact CG-CE1 4.28Å; F154-F156 HydrophobicContact CG-CZ 4.18Å; F154-F156 PolarHBondContact O-N 3.11Å
155	S	74.5	Confident	81.2	Confident	111 Å²	111	65 Å²	65	78%	0.776	35%	0.354	S	S	*	.			trans	-79.4	-6	-179.7	52	0	0	0	0	114.3	K153	K153-S155 PolarHBondContact O-N 3.21Å
156	F	74.2	Confident	80.3	Confident	42 Å²	42	67.4 Å²	67.4	18%	0.184	37%	0.368	C	S	.	.			trans	-72.3	0	-176.4	54.1	-116.2	0	0	0	115	L58 T61 K135 K139 F154	L58-F156 HydrophobicContact CD2-CD1 3.94Å; L58-F156 HydrophobicContact CD2-CD2 4.38Å; L58-F156 HydrophobicContact CD2-CE1 3.68Å; L58-F156 HydrophobicContact CD2-CE2 4.14Å; L58-F156 HydrophobicContact CD2-CG 4.28Å; L58-F156 HydrophobicContact CD2-CZ 3.79Å; T61-F156 HydrophobicContact CG2-CD1 3.93Å; T61-F156 HydrophobicContact CG2-CE1 3.74Å; K135-F156 HydrophobicContact CB-CD2 3.68Å; K135-F156 HydrophobicContact CB-CE2 3.9Å; K135-F156 HydrophobicContact CD-CB 4.05Å; K135-F156 HydrophobicContact CD-CD2 3.77Å; K135-F156 HydrophobicContact CD-CG 4.31Å; K135-F156 WeakPolarHBondContact CD-OXT 3.43Å; K135-F156 WeakPolarHBondContact CE-OXT 3.34Å; K135-F156 HydrophobicContact CG-CD2 3.58Å; K135-F156 HydrophobicContact CG-CE2 4.07Å; K135-F156 HydrophobicContact CG-CG 4.42Å; K135-F156 PolarHBondContact NZ-OXT 3.15Å; K139-F156 HydrophobicContact CD-CE2 4.3Å; K139-F156 WeakPolarHBondContact CE-O 3.13Å; K139-F156 HydrophobicContact CG-CE2 3.81Å; K139-F156 HydrophobicContact CG-CZ 4.26Å; K139-F156 PolarHBondContact NZ-O 3.32Å; F154-F156 VanDerWaalsContact C-N 3.27Å; F154-F156 HydrophobicContact CB-CE1 4.08Å; F154-F156 HydrophobicContact CB-CE2 4.44Å; F154-F156 HydrophobicContact CB-CZ 3.99Å; F154-F156 AromaticContact CD1-CE1 3.69Å; F154-F156 HydrophobicContact CD1-CE1 3.69Å; F154-F156 AromaticContact CD1-CZ 3.88Å; F154-F156 HydrophobicContact CD1-CZ 3.88Å; F154-F156 HydrophobicContact CG-CE1 4.28Å; F154-F156 HydrophobicContact CG-CZ 4.18Å; F154-F156 PolarHBondContact O-N 3.11Å

Retrieved 156 of 156 residues in 277.5 ms (Link to these results)

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