A0A096N6P6_PAPAN Loading...

Matrix metallopeptidase 7

AlphaFold DB (A0A2K5WIZ6), UniProt , Accession A0A096N6P6, Species PAPAN (Papio anubis, Olive baboon), Gene MMP7, Length 270 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	40.3	Very low	46	Very low	250 Å²	250	147.7 Å²	147.7	100%	1.232	85%	0.847	S	S	*	*				0	96.8	0	-83.2	-178.7	-87.2	0	0	108.2
2	A	38.1	Very low	46.8	Very low	106 Å²	106	145.4 Å²	145.4	88%	0.876	84%	0.837	S	S	*	*			trans	-113.5	116.8	174.6	0	0	0	0	0	107.4
3	A	42	Very low	47	Very low	101 Å²	101	142.8 Å²	142.8	84%	0.835	83%	0.83	S	S	*	*			trans	-94.5	109.9	-179.8	0	0	0	0	0	109.4
4	M	42.4	Very low	47.4	Very low	177 Å²	177	144.1 Å²	144.1	87%	0.872	83%	0.831	S	S	*	*			trans	-79	114.7	174.6	-163.1	159.1	78.1	0	0	108.5
5	R	45.8	Very low	47.7	Very low	235 Å²	235	144.5 Å²	144.5	89%	0.887	83%	0.828	S	S	*	*			trans	-93.2	114.3	172.5	-74.3	-161.9	174.2	-153.7	-0.3	109.4
6	L	46.2	Very low	47.9	Very low	148 Å²	148	142.8 Å²	142.8	78%	0.775	82%	0.824	S	S	*	*			trans	-83.2	107.9	175.6	-151.7	81.3	0	0	0	108.7
7	T	50	Low	48	Very low	127 Å²	127	138.1 Å²	138.1	78%	0.779	81%	0.814	S	S	*	*			trans	-86.3	111.2	169.6	36.1	0	0	0	0	109.5
8	V	51.4	Low	48.3	Very low	119 Å²	119	136.8 Å²	136.8	72%	0.721	81%	0.813	S	S	*	*			trans	-82.2	114.9	171.6	174.9	0	0	0	0	108.4
9	L	50.2	Low	48.6	Very low	161 Å²	161	138.2 Å²	138.2	84%	0.843	82%	0.815	S	S	*	*			trans	-86.7	108.5	168.2	-104.6	111.4	0	0	0	109	A11	L9-A11 PolarHBondContact O-N 3.38Å
10	C	46.4	Very low	49.2	Very low	111 Å²	111	136 Å²	136	75%	0.75	81%	0.813	S	S	*	*			trans	-80.2	102.3	164.3	-86.1	0	0	0	0	109	V12	C10-V12 PolarHBondContact O-N 2.7Å
11	A	52.8	Low	50.4	Low	90 Å²	90	136.8 Å²	136.8	74%	0.744	81%	0.813	S	S	*	*			trans	-74.6	105.5	166.1	0	0	0	0	0	108.9	L9 C13	L9-A11 PolarHBondContact O-N 3.38Å; A11-C13 PolarHBondContact O-N 2.91Å
12	V	55.5	Low	52.2	Low	120 Å²	120	130.5 Å²	130.5	73%	0.727	79%	0.79	S	S	*	*			trans	-79.5	101.7	169.6	178	0	0	0	0	107.5	C10 L14	C10-V12 PolarHBondContact O-N 2.7Å; V12-L14 HydrophobicContact CG1-CG 4.39Å; V12-L14 PolarHBondContact O-N 3.41Å
13	C	49.9	Very low	54.2	Low	111 Å²	111	128.5 Å²	128.5	75%	0.75	77%	0.765	S	S	*	*			trans	-69.5	95.2	169.2	-67.1	0	0	0	0	109.1	A11 L15	A11-C13 PolarHBondContact O-N 2.91Å; C13-L15 VanDerWaalsContact C-N 3.26Å; C13-L15 PolarHBondContact O-N 3.33Å
14	L	51.9	Low	56.2	Low	161 Å²	161	126.6 Å²	126.6	84%	0.843	74%	0.744	S	S	*	*			trans	-72	86.2	163.7	-74	166.5	0	0	0	108.1	V12 P16	V12-L14 HydrophobicContact CG1-CG 4.39Å; V12-L14 PolarHBondContact O-N 3.41Å; L14-P16 WeakPolarHBondContact O-CD 3.33Å
15	L	52.2	Low	58.1	Low	151 Å²	151	128 Å²	128	79%	0.791	74%	0.739	S	S	*	*			trans	-68.1	123.4	161.8	-74.1	165.7	0	0	0	106.9	C13 G17	C13-L15 VanDerWaalsContact C-N 3.26Å; C13-L15 PolarHBondContact O-N 3.33Å; L15-G17 PolarHBondContact O-N 3Å
16	P	50.7	Low	59.8	Low	117 Å²	117	119.3 Å²	119.3	76%	0.76	71%	0.709	S	S	*	*			trans	-68.8	89.6	167.5	27.5	-27.1	0	0	0	106.5	L14 S18	L14-P16 WeakPolarHBondContact O-CD 3.33Å; P16-S18 VanDerWaalsContact C-N 3.27Å; P16-S18 PolarHBondContact O-N 3.17Å
17	G	50.8	Low	61.6	Low	63 Å²	63	112.3 Å²	112.3	65%	0.649	67%	0.673	S	S	*	*			trans	-68.1	91.7	169.3	0	0	0	0	0	107.8	L15 L19	L15-G17 PolarHBondContact O-N 3Å; G17-L19 PolarHBondContact O-N 2.69Å
18	S	53.5	Low	63.2	Low	115 Å²	115	107.9 Å²	107.9	80%	0.804	65%	0.652	S	S	*	*			trans	-61.6	94.8	162.1	-51.7	0	0	0	0	106.7	P16 A20	P16-S18 VanDerWaalsContact C-N 3.27Å; P16-S18 PolarHBondContact O-N 3.17Å; S18-A20 PolarHBondContact O-N 3.02Å
19	L	52.3	Low	64.8	Low	162 Å²	162	106 Å²	106	85%	0.848	66%	0.656	S	S	*	*			trans	-66	92.6	169.7	-74.1	166.4	0	0	0	106.7	G17 L21	G17-L19 PolarHBondContact O-N 2.69Å; L19-L21 PolarHBondContact O-N 2.72Å
20	A	62.1	Low	66.6	Low	94 Å²	94	100 Å²	100	78%	0.777	62%	0.624	S	S	*	*			trans	-63.6	103.2	165.7	0	0	0	0	0	106.6	S18	S18-A20 PolarHBondContact O-N 3.02Å
21	L	73.8	Confident	68.7	Low	153 Å²	153	97.2 Å²	97.2	80%	0.801	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-61.3	135.1	173.6	-72.8	168.2	0	0	0	108.1	L19 L23	L19-L21 PolarHBondContact O-N 2.72Å; L21-L23 PolarHBondContact O-N 2.73Å
22	P	78.2	Confident	70.4	Confident	118 Å²	118	100.2 Å²	100.2	77%	0.766	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-61.2	140.5	176.4	25.5	-32.4	0	0	0	109.7
23	L	81	Confident	72.1	Confident	65 Å²	65	100 Å²	100	34%	0.34	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-60.8	152.1	178	-71	175.9	0	0	0	111.2	L21 A27 M30 W35	L21-L23 PolarHBondContact O-N 2.73Å; L23-A27 HydrophobicContact CB-CB 3.84Å; L23-A27 HydrophobicContact CD1-CB 4.21Å; L23-M30 WeakPolarHBondContact CD1-O 3.35Å; L23-W35 HydrophobicContact CD1-CB 4.31Å; L23-W35 HydrophobicContact CD2-CB 4.41Å; L23-W35 HydrophobicContact CD2-CG 4.08Å
24	P	83.2	Confident	74	Confident	61 Å²	61	97.3 Å²	97.3	40%	0.396	58%	0.576	S	S	.	*	P	Polyproline II helix	trans	-57.8	157	175.4	-23.6	35.3	0	0	0	112.5	E26 A27 W35	P24-E26 WeakPolarHBondContact CB-OE2 3.3Å; P24-E26 PolarHBondContact O-N 2.83Å; P24-A27 WeakPolarHBondContact O-CB 3.42Å; P24-A27 PolarHBondContact O-N 3.09Å; P24-W35 HydrophobicContact CB-CH2 4.4Å; P24-W35 HydrophobicContact CB-CZ2 4.09Å; P24-W35 HydrophobicContact CG-CZ2 3.77Å
25	R	82	Confident	75.8	Confident	206 Å²	206	90.9 Å²	90.9	78%	0.777	54%	0.54	S	S	*	.	G	3₁₀ helix	trans	-58.5	-35.1	-178	-179.5	-177.8	175.5	-173.4	-1.3	112.1	A27 G28	R25-A27 PolarHBondContact O-N 3.2Å; R25-G28 PolarHBondContact O-N 3.4Å
26	E	82.1	Confident	77.6	Confident	53 Å²	53	89.9 Å²	89.9	25%	0.248	53%	0.529	C	S	.	.	G	3₁₀ helix	trans	-60.4	-22.7	178.5	-57.6	74.5	-163.8	0	0	111.9	P24 G28 W35 L58 E59 L77	P24-E26 WeakPolarHBondContact CB-OE2 3.3Å; P24-E26 PolarHBondContact O-N 2.83Å; E26-G28 PolarHBondContact O-N 2.77Å; E26-W35 HydrophobicContact CB-CH2 3.71Å; E26-W35 HydrophobicContact CB-CZ3 4.03Å; E26-L58 HydrophobicContact CB-CD2 4.23Å; E26-E59 HydrophobicContact CG-CB 3.88Å; E26-E59 HydrophobicContact CG-CG 4.34Å; E26-L77 PolarHBondContact O-N 3.43Å
27	A	83.6	Confident	79.5	Confident	1 Å²	1	87.7 Å²	87.7	1%	0.008	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-65.9	-16.3	175	0	0	0	0	0	112.7	L23 P24 R25 G29 M30 W35	L23-A27 HydrophobicContact CB-CB 3.84Å; L23-A27 HydrophobicContact CD1-CB 4.21Å; P24-A27 WeakPolarHBondContact O-CB 3.42Å; P24-A27 PolarHBondContact O-N 3.09Å; R25-A27 PolarHBondContact O-N 3.2Å; A27-G29 PolarHBondContact O-N 3.48Å; A27-M30 WeakPolarHBondContact O-CB 3.2Å; A27-M30 WeakPolarHBondContact O-CG 3.49Å; A27-M30 PolarHBondContact O-N 3.21Å; A27-W35 VanDerWaalsContact CA-CE3 3.47Å; A27-W35 VanDerWaalsContact CA-CZ3 3.44Å; A27-W35 HydrophobicContact CB-CD2 3.92Å; A27-W35 HydrophobicContact CB-CE3 3.49Å; A27-W35 VanDerWaalsContact CB-CE3 3.49Å; A27-W35 HydrophobicContact CB-CG 4.48Å; A27-W35 HydrophobicContact CB-CZ3 3.84Å
28	G	84.3	Confident	81.4	Confident	33 Å²	33	84.7 Å²	84.7	34%	0.34	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	25.5	172.8	0	0	0	0	0	114.4	R25 E26	R25-G28 PolarHBondContact O-N 3.4Å; E26-G28 PolarHBondContact O-N 2.77Å
29	G	84.1	Confident	83.2	Confident	79 Å²	79	81.9 Å²	81.9	81%	0.814	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	12.7	-175.2	0	0	0	0	0	115.2	A27	A27-G29 PolarHBondContact O-N 3.48Å
30	M	88.7	Confident	85	Confident	36 Å²	36	78.4 Å²	78.4	18%	0.177	43%	0.434	C	S	.	.			trans	-69.5	157.7	173.9	-65.8	-57.4	99.6	0	0	112	L23 A27 Q34 L77 I82	L23-M30 WeakPolarHBondContact CD1-O 3.35Å; A27-M30 WeakPolarHBondContact O-CB 3.2Å; A27-M30 WeakPolarHBondContact O-CG 3.49Å; A27-M30 PolarHBondContact O-N 3.21Å; M30-Q34 HydrophobicContact CB-CB 3.95Å; M30-Q34 HydrophobicContact CG-CB 4.48Å; M30-L77 HydrophobicContact CG-CB 3.85Å; M30-L77 HydrophobicContact CG-CD1 4.38Å; M30-I82 HydrophobicContact CG-CG1 4.47Å; M30-I82 HydrophobicContact SD-CG1 4.15Å
31	S	90.6	Very high	86.4	Confident	53 Å²	53	74.4 Å²	74.4	37%	0.371	40%	0.399	S	S	.	.			trans	-66.5	159	172.9	63.4	0	0	0	0	112.1	L33 Q34 W35	S31-L33 PolarHBondContact O-N 3.43Å; S31-Q34 PolarHBondContact O-N 3.01Å; S31-Q34 VanDerWaalsContact O-N 3.14Å; S31-Q34 WeakPolarHBondContact OG-CG 3.48Å; S31-Q34 PolarHBondContact OG-N 2.82Å; S31-Q34 PolarHBondContact OG-OE1 2.69Å; S31-W35 WeakPolarHBondContact O-CB 3.23Å; S31-W35 PolarHBondContact O-N 2.63Å
32	E	88.6	Confident	87.3	Confident	153 Å²	153	67.1 Å²	67.1	72%	0.715	36%	0.361	S	S	*	.	H	α-helix	trans	-57	-34.8	175.4	-172.4	178	-178.9	0	0	112.1	W35 K36	E32-W35 PolarHBondContact O-N 2.77Å; E32-K36 WeakPolarHBondContact O-CB 3.47Å; E32-K36 PolarHBondContact O-N 2.82Å
33	L	90.5	Very high	87.8	Confident	115 Å²	115	67.4 Å²	67.4	60%	0.602	35%	0.35	S	S	*	.	H	α-helix	trans	-64	-49.9	175.4	179.4	61.8	0	0	0	111.9	S31 W35 K36 Q37	S31-L33 PolarHBondContact O-N 3.43Å; L33-W35 VanDerWaalsContact C-N 3.27Å; L33-W35 PolarHBondContact O-N 3.45Å; L33-K36 PolarHBondContact O-N 2.93Å; L33-Q37 WeakPolarHBondContact O-CG 3.42Å; L33-Q37 PolarHBondContact O-N 2.94Å
34	Q	90.8	Very high	88.1	Confident	55 Å²	55	67.6 Å²	67.6	26%	0.257	35%	0.346	S	S	.	.	H	α-helix	trans	-64.3	-35.7	177.6	-73.8	168.2	-55.1	0	0	111.6	M30 S31 Q37 A38 I82	M30-Q34 HydrophobicContact CB-CB 3.95Å; M30-Q34 HydrophobicContact CG-CB 4.48Å; S31-Q34 PolarHBondContact O-N 3.01Å; S31-Q34 VanDerWaalsContact O-N 3.14Å; S31-Q34 WeakPolarHBondContact OG-CG 3.48Å; S31-Q34 PolarHBondContact OG-N 2.82Å; S31-Q34 PolarHBondContact OG-OE1 2.69Å; Q34-Q37 PolarHBondContact O-N 2.82Å; Q34-A38 PolarHBondContact O-N 2.91Å; Q34-I82 HydrophobicContact CB-CD1 4.11Å; Q34-I82 HydrophobicContact CG-CG2 4.4Å
35	W	89.6	Confident	88.5	Confident	25 Å²	25	64.7 Å²	64.7	10%	0.095	33%	0.328	C	S	.	.	H	α-helix	trans	-63.3	-42.5	174.9	-179.2	-117	0	0	0	112.2	L23 P24 E26 A27 S31 E32 L33 A38 Q39 L58 L77	L23-W35 HydrophobicContact CD1-CB 4.31Å; L23-W35 HydrophobicContact CD2-CB 4.41Å; L23-W35 HydrophobicContact CD2-CG 4.08Å; P24-W35 HydrophobicContact CB-CH2 4.4Å; P24-W35 HydrophobicContact CB-CZ2 4.09Å; P24-W35 HydrophobicContact CG-CZ2 3.77Å; E26-W35 HydrophobicContact CB-CH2 3.71Å; E26-W35 HydrophobicContact CB-CZ3 4.03Å; A27-W35 VanDerWaalsContact CA-CE3 3.47Å; A27-W35 VanDerWaalsContact CA-CZ3 3.44Å; A27-W35 HydrophobicContact CB-CD2 3.92Å; A27-W35 HydrophobicContact CB-CE3 3.49Å; A27-W35 VanDerWaalsContact CB-CE3 3.49Å; A27-W35 HydrophobicContact CB-CG 4.48Å; A27-W35 HydrophobicContact CB-CZ3 3.84Å; S31-W35 WeakPolarHBondContact O-CB 3.23Å; S31-W35 PolarHBondContact O-N 2.63Å; E32-W35 PolarHBondContact O-N 2.77Å; L33-W35 VanDerWaalsContact C-N 3.27Å; L33-W35 PolarHBondContact O-N 3.45Å; W35-A38 PolarHBondContact O-N 3.23Å; W35-Q39 PolarHBondContact O-N 2.93Å; W35-Q39 VanDerWaalsContact O-N 3.14Å; W35-Q39 PolarHBondContact O-NE2 3.11Å; W35-L58 HydrophobicContact CH2-CD1 3.53Å; W35-L58 HydrophobicContact CH2-CD2 3.31Å; W35-L58 HydrophobicContact CH2-CG 3.95Å; W35-L58 HydrophobicContact CZ2-CD1 3.66Å; W35-L58 HydrophobicContact CZ2-CD2 4.27Å; W35-L58 HydrophobicContact CZ2-CG 4.47Å; W35-L58 HydrophobicContact CZ3-CD1 4.13Å; W35-L58 HydrophobicContact CZ3-CD2 3.61Å; W35-L77 HydrophobicContact CE3-CD1 3.43Å; W35-L77 VanDerWaalsContact CE3-CD1 3.43Å; W35-L77 HydrophobicContact CE3-CG 4.4Å; W35-L77 HydrophobicContact CZ3-CD1 3.74Å; W35-L77 HydrophobicContact CZ3-CG 4.25Å
36	K	89.8	Confident	88.8	Confident	130 Å²	130	54.9 Å²	54.9	57%	0.565	29%	0.291	S	S	*	.	H	α-helix	trans	-66.5	-43.9	174.7	-173.8	176.7	178.8	-178.1	0	111.8	E32 L33 A38 Q39 D40	E32-K36 WeakPolarHBondContact O-CB 3.47Å; E32-K36 PolarHBondContact O-N 2.82Å; L33-K36 PolarHBondContact O-N 2.93Å; K36-A38 VanDerWaalsContact C-N 3.28Å; K36-A38 PolarHBondContact O-N 3.18Å; K36-Q39 WeakPolarHBondContact O-CB 3.33Å; K36-Q39 PolarHBondContact O-N 2.84Å; K36-Q39 VanDerWaalsContact O-N 3.13Å; K36-D40 PolarHBondContact O-N 3.26Å
37	Q	90.3	Very high	88.8	Confident	72 Å²	72	57.2 Å²	57.2	34%	0.336	30%	0.304	S	S	.	.	H	α-helix	trans	-55.9	-43.8	175.2	-74.6	173.9	-16.7	0	0	111.8	L33 Q34 D40 Y41	L33-Q37 WeakPolarHBondContact O-CG 3.42Å; L33-Q37 PolarHBondContact O-N 2.94Å; Q34-Q37 PolarHBondContact O-N 2.82Å; Q37-D40 PolarHBondContact O-N 3.03Å; Q37-Y41 WeakPolarHBondContact O-CB 3.42Å; Q37-Y41 PolarHBondContact O-N 3.16Å
38	A	91.4	Very high	88.4	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.7	-40.1	177	0	0	0	0	0	112.9	Q34 W35 K36 Y41 L42 L77 I82 M85	Q34-A38 PolarHBondContact O-N 2.91Å; W35-A38 PolarHBondContact O-N 3.23Å; K36-A38 VanDerWaalsContact C-N 3.28Å; K36-A38 PolarHBondContact O-N 3.18Å; A38-Y41 PolarHBondContact O-N 2.93Å; A38-L42 WeakPolarHBondContact O-CB 3.4Å; A38-L42 VanDerWaalsContact O-CG 3.25Å; A38-L42 WeakPolarHBondContact O-CG 3.14Å; A38-L42 PolarHBondContact O-N 2.78Å; A38-L77 HydrophobicContact CB-CD1 3.52Å; A38-L77 HydrophobicContact CB-CD2 3.79Å; A38-L77 HydrophobicContact CB-CG 4.28Å; A38-I82 HydrophobicContact CB-CD1 4.46Å; A38-M85 HydrophobicContact CB-CE 3.98Å; A38-M85 HydrophobicContact CB-SD 3.66Å
39	Q	90.4	Very high	87.7	Confident	55 Å²	55	59.9 Å²	59.9	26%	0.257	31%	0.309	S	S	.	.	H	α-helix	trans	-61	-48.2	174.6	-78	172.7	72.9	0	0	111.8	W35 K36 Y41 L42 K43 L58	W35-Q39 PolarHBondContact O-N 2.93Å; W35-Q39 VanDerWaalsContact O-N 3.14Å; W35-Q39 PolarHBondContact O-NE2 3.11Å; K36-Q39 WeakPolarHBondContact O-CB 3.33Å; K36-Q39 PolarHBondContact O-N 2.84Å; K36-Q39 VanDerWaalsContact O-N 3.13Å; Q39-Y41 VanDerWaalsContact C-N 3.31Å; Q39-Y41 PolarHBondContact O-N 3.01Å; Q39-L42 PolarHBondContact O-N 2.97Å; Q39-K43 VanDerWaalsContact O-CB 3.27Å; Q39-K43 WeakPolarHBondContact O-CB 3.06Å; Q39-K43 PolarHBondContact O-N 2.8Å; Q39-L58 HydrophobicContact CG-CD1 3.37Å
40	D	89.7	Confident	86.6	Confident	89 Å²	89	59.5 Å²	59.5	48%	0.476	29%	0.294	S	S	.	.	H	α-helix	trans	-62.7	-41.1	-179.8	-68.3	-25.2	0	0	0	110.8	K36 Q37 K43 R44	K36-D40 PolarHBondContact O-N 3.26Å; Q37-D40 PolarHBondContact O-N 3.03Å; D40-K43 PolarHBondContact O-N 3.27Å; D40-R44 WeakPolarHBondContact O-CB 3.44Å; D40-R44 PolarHBondContact O-N 2.71Å
41	Y	92.8	Very high	85.2	Confident	10 Å²	10	65.9 Å²	65.9	4%	0.039	32%	0.323	C	S	.	.	H	α-helix	trans	-60.6	-51.5	174.5	-176.3	-81.9	0	0	0	112.2	Q37 A38 Q39 K43 R44 F45 Y46 M65 M85 R89	Q37-Y41 WeakPolarHBondContact O-CB 3.42Å; Q37-Y41 PolarHBondContact O-N 3.16Å; A38-Y41 PolarHBondContact O-N 2.93Å; Q39-Y41 VanDerWaalsContact C-N 3.31Å; Q39-Y41 PolarHBondContact O-N 3.01Å; Y41-K43 VanDerWaalsContact C-N 3.29Å; Y41-K43 PolarHBondContact O-N 3.43Å; Y41-R44 PolarHBondContact O-N 2.96Å; Y41-F45 AromaticContact CD1-CD2 3.99Å; Y41-F45 HydrophobicContact CD1-CD2 3.99Å; Y41-F45 AromaticContact CD2-CD2 3.6Å; Y41-F45 HydrophobicContact CD2-CD2 3.6Å; Y41-F45 AromaticContact CD2-CE2 3.67Å; Y41-F45 HydrophobicContact CD2-CE2 3.67Å; Y41-F45 HydrophobicContact CE1-CB 4.44Å; Y41-F45 AromaticContact CE1-CD2 3.99Å; Y41-F45 HydrophobicContact CE1-CD2 3.99Å; Y41-F45 AromaticContact CE2-CD2 3.6Å; Y41-F45 HydrophobicContact CE2-CD2 3.6Å; Y41-F45 AromaticContact CE2-CE2 3.73Å; Y41-F45 HydrophobicContact CE2-CE2 3.73Å; Y41-F45 AromaticContact CG-CD2 3.81Å; Y41-F45 HydrophobicContact CG-CD2 3.81Å; Y41-F45 HydrophobicContact CG-CE2 4.27Å; Y41-F45 AromaticContact CZ-CD2 3.83Å; Y41-F45 VanDerWaalsContact O-CD2 3.29Å; Y41-F45 WeakPolarHBondContact O-CD2 3.4Å; Y41-F45 PolarHBondContact O-N 3.11Å; Y41-Y46 HydrophobicContact CE1-CD2 4.28Å; Y41-Y46 AromaticContact CE1-CE2 3.9Å; Y41-Y46 HydrophobicContact CE1-CE2 3.9Å; Y41-M65 HydrophobicContact CD1-SD 4.11Å; Y41-M65 HydrophobicContact CE1-CE 3.66Å; Y41-M65 HydrophobicContact CE1-CG 4.44Å; Y41-M65 HydrophobicContact CE1-SD 3.55Å; Y41-M65 VanDerWaalsContact CE1-SD 3.55Å; Y41-M85 HydrophobicContact CD1-CE 3.93Å; Y41-M85 HydrophobicContact CD1-CG 3.82Å; Y41-M85 HydrophobicContact CD1-SD 4.33Å; Y41-M85 HydrophobicContact CD2-CB 3.73Å; Y41-M85 HydrophobicContact CD2-CG 3.87Å; Y41-M85 HydrophobicContact CE1-CE 4.45Å; Y41-M85 HydrophobicContact CE1-CG 4.01Å; Y41-M85 HydrophobicContact CE2-CB 3.98Å; Y41-M85 HydrophobicContact CE2-CG 4.06Å; Y41-M85 HydrophobicContact CG-CB 4.03Å; Y41-M85 HydrophobicContact CG-CE 4.43Å; Y41-M85 HydrophobicContact CG-CG 3.73Å; Y41-M85 HydrophobicContact CG-SD 4.27Å; Y41-R89 PolarHBondContact OH-NH1 2.59Å
42	L	91.7	Very high	83.6	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-66.9	-33.5	-179.1	-67.3	172	0	0	0	111.8	A38 Q39 R44 Y46 L47 Y48 L58 K61 L62 M65 M85	A38-L42 WeakPolarHBondContact O-CB 3.4Å; A38-L42 VanDerWaalsContact O-CG 3.25Å; A38-L42 WeakPolarHBondContact O-CG 3.14Å; A38-L42 PolarHBondContact O-N 2.78Å; Q39-L42 PolarHBondContact O-N 2.97Å; L42-R44 VanDerWaalsContact C-N 3.35Å; L42-Y46 HydrophobicContact CD2-CD2 3.82Å; L42-Y46 HydrophobicContact CD2-CG 4.15Å; L42-Y46 CarbonylContact O-C 3.55Å; L42-Y46 VanDerWaalsContact O-C 3.3Å; L42-Y46 VanDerWaalsContact O-CA 3.29Å; L42-Y46 WeakPolarHBondContact O-CA 3.46Å; L42-Y46 WeakPolarHBondContact O-CB 3.35Å; L42-Y46 PolarHBondContact O-N 3.31Å; L42-L47 PolarHBondContact O-N 2.82Å; L42-Y48 HydrophobicContact CB-CG 4.4Å; L42-Y48 WeakPolarHBondContact O-CB 3.35Å; L42-Y48 PolarHBondContact O-N 2.88Å; L42-Y48 VanDerWaalsContact O-N 3.13Å; L42-L58 HydrophobicContact CD1-CD1 4.49Å; L42-L58 HydrophobicContact CD1-CD2 4.24Å; L42-L58 HydrophobicContact CD1-CG 3.88Å; L42-K61 HydrophobicContact CB-CB 4.44Å; L42-K61 HydrophobicContact CD1-CB 4.25Å; L42-K61 HydrophobicContact CD2-CB 4.21Å; L42-L62 HydrophobicContact CD1-CD2 3.79Å; L42-L62 HydrophobicContact CD1-CG 3.84Å; L42-L62 HydrophobicContact CD2-CD2 4.39Å; L42-M65 HydrophobicContact CD2-CB 4.21Å; L42-M65 HydrophobicContact CD2-SD 4.24Å; L42-M85 HydrophobicContact CD2-CE 4.28Å; L42-M85 HydrophobicContact CG-CE 4.22Å
43	K	88.5	Confident	82	Confident	124 Å²	124	67.9 Å²	67.9	54%	0.539	33%	0.327	S	S	.	.	H	α-helix	trans	-61.9	-45.5	173.8	-179.7	170.1	-174.3	176.5	0	110.8	Q39 D40 Y41 Y48	Q39-K43 VanDerWaalsContact O-CB 3.27Å; Q39-K43 WeakPolarHBondContact O-CB 3.06Å; Q39-K43 PolarHBondContact O-N 2.8Å; D40-K43 PolarHBondContact O-N 3.27Å; Y41-K43 VanDerWaalsContact C-N 3.29Å; Y41-K43 PolarHBondContact O-N 3.43Å; K43-Y48 WeakPolarHBondContact CA-O 3.44Å; K43-Y48 WeakPolarHBondContact CG-O 3.3Å
44	R	87.4	Confident	80.4	Confident	69 Å²	69	70.2 Å²	70.2	26%	0.26	34%	0.341	S	S	.	.	H	α-helix	trans	-70.7	-49.9	-179	-169.6	170.8	-170.7	152.2	8.7	112.7	D40 Y41 L42 P171 D173 T178	D40-R44 WeakPolarHBondContact O-CB 3.44Å; D40-R44 PolarHBondContact O-N 2.71Å; Y41-R44 PolarHBondContact O-N 2.96Å; L42-R44 VanDerWaalsContact C-N 3.35Å; R44-P171 PolarHBondContact NH2-O 3.19Å; R44-D173 IonicContact NH1-OD2 3.32Å; R44-D173 PolarHBondContact NH1-OD2 2.89Å; R44-T178 PolarHBondContact NH1-OG1 3.15Å; R44-T178 PolarHBondContact NH2-OG1 3.11Å
45	F	91.2	Very high	78.5	Confident	1 Å²	1	71.4 Å²	71.4	0%	0.004	36%	0.36	C	S	.	.	H	α-helix	trans	-100.3	-20.4	-167.1	-59.5	-64.2	0	0	0	114.9	Y41 R89 C90 P93 D94	Y41-F45 AromaticContact CD1-CD2 3.99Å; Y41-F45 HydrophobicContact CD1-CD2 3.99Å; Y41-F45 AromaticContact CD2-CD2 3.6Å; Y41-F45 HydrophobicContact CD2-CD2 3.6Å; Y41-F45 AromaticContact CD2-CE2 3.67Å; Y41-F45 HydrophobicContact CD2-CE2 3.67Å; Y41-F45 HydrophobicContact CE1-CB 4.44Å; Y41-F45 AromaticContact CE1-CD2 3.99Å; Y41-F45 HydrophobicContact CE1-CD2 3.99Å; Y41-F45 AromaticContact CE2-CD2 3.6Å; Y41-F45 HydrophobicContact CE2-CD2 3.6Å; Y41-F45 AromaticContact CE2-CE2 3.73Å; Y41-F45 HydrophobicContact CE2-CE2 3.73Å; Y41-F45 AromaticContact CG-CD2 3.81Å; Y41-F45 HydrophobicContact CG-CD2 3.81Å; Y41-F45 HydrophobicContact CG-CE2 4.27Å; Y41-F45 AromaticContact CZ-CD2 3.83Å; Y41-F45 VanDerWaalsContact O-CD2 3.29Å; Y41-F45 WeakPolarHBondContact O-CD2 3.4Å; Y41-F45 PolarHBondContact O-N 3.11Å; F45-R89 HydrophobicContact CZ-CG 4.1Å; F45-C90 VanDerWaalsContact CE1-O 3.24Å; F45-C90 WeakPolarHBondContact CE1-O 3.23Å; F45-P93 CarbonylContact O-C 3.5Å; F45-P93 WeakPolarHBondContact O-CA 3.4Å; F45-D94 PolarHBondContact O-N 3.09Å
46	Y	89.6	Confident	77.2	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.367	C	S	.	.	S	Bend	trans	-120.6	10	-177.6	-69.7	-92.3	0	0	0	112.8	Y41 L42 Y48 K61 E64 M65 F68 F69 D94 V95	Y41-Y46 HydrophobicContact CE1-CD2 4.28Å; Y41-Y46 AromaticContact CE1-CE2 3.9Å; Y41-Y46 HydrophobicContact CE1-CE2 3.9Å; L42-Y46 HydrophobicContact CD2-CD2 3.82Å; L42-Y46 HydrophobicContact CD2-CG 4.15Å; L42-Y46 CarbonylContact O-C 3.55Å; L42-Y46 VanDerWaalsContact O-C 3.3Å; L42-Y46 VanDerWaalsContact O-CA 3.29Å; L42-Y46 WeakPolarHBondContact O-CA 3.46Å; L42-Y46 WeakPolarHBondContact O-CB 3.35Å; L42-Y46 PolarHBondContact O-N 3.31Å; Y46-Y48 PolarHBondContact O-N 3.26Å; Y46-K61 WeakPolarHBondContact O-CE 3.4Å; Y46-K61 PolarHBondContact O-NZ 3.05Å; Y46-E64 HydrophobicContact CD1-CB 4.15Å; Y46-E64 HydrophobicContact CD1-CG 3.83Å; Y46-E64 HydrophobicContact CE1-CB 4.44Å; Y46-E64 HydrophobicContact CE1-CG 4.05Å; Y46-M65 HydrophobicContact CD1-CB 4.4Å; Y46-M65 HydrophobicContact CD2-CB 4.26Å; Y46-M65 VanDerWaalsContact CE1-CA 3.46Å; Y46-M65 HydrophobicContact CE1-CB 3.86Å; Y46-M65 HydrophobicContact CE2-CB 3.7Å; Y46-M65 HydrophobicContact CE2-CG 3.74Å; Y46-M65 HydrophobicContact CE2-SD 4.44Å; Y46-M65 VanDerWaalsContact CZ-CA 3.41Å; Y46-M65 VanDerWaalsContact CZ-CB 3.48Å; Y46-M65 WeakPolarHBondContact OH-CA 3.24Å; Y46-F68 HydrophobicContact CE1-CB 4.44Å; Y46-F69 WeakPolarHBondContact OH-CE2 3Å; Y46-D94 HydrophobicContact CE1-CB 4.08Å; Y46-D94 HydrophobicContact CE2-CB 4.18Å; Y46-D94 WeakPolarHBondContact CE2-OD2 3.21Å; Y46-D94 PolarHBondContact OH-OD2 2.88Å; Y46-V95 HydrophobicContact CD1-CG1 3.48Å; Y46-V95 VanDerWaalsContact CD1-CG1 3.48Å; Y46-V95 HydrophobicContact CE1-CG1 3.81Å; Y46-V95 HydrophobicContact CG-CG1 4.38Å
47	L	82.3	Confident	76.6	Confident	101 Å²	101	68.3 Å²	68.3	53%	0.529	36%	0.355	S	S	.	.			trans	54.8	35.7	178	-50.8	177.1	0	0	0	112.3	L42 D49 P93 V95	L42-L47 PolarHBondContact O-N 2.82Å; L47-D49 PolarHBondContact O-N 3.13Å; L47-P93 HydrophobicContact CD2-CB 4.27Å; L47-P93 HydrophobicContact CD2-CG 4.15Å; L47-V95 HydrophobicContact CD1-CG2 4.1Å; L47-V95 HydrophobicContact CG-CG2 4.01Å
48	Y	73.9	Confident	76.2	Confident	30 Å²	30	65.5 Å²	65.5	12%	0.118	34%	0.343	C	S	.	.			trans	-66.9	123.1	175.8	172.9	-106.2	0	0	0	110.8	L42 K43 Y46 N56 L58 K61	L42-Y48 HydrophobicContact CB-CG 4.4Å; L42-Y48 WeakPolarHBondContact O-CB 3.35Å; L42-Y48 PolarHBondContact O-N 2.88Å; L42-Y48 VanDerWaalsContact O-N 3.13Å; K43-Y48 WeakPolarHBondContact CA-O 3.44Å; K43-Y48 WeakPolarHBondContact CG-O 3.3Å; Y46-Y48 PolarHBondContact O-N 3.26Å; Y48-N56 HydrophobicContact CD2-CB 4.5Å; Y48-N56 WeakPolarHBondContact CD2-O 3.46Å; Y48-N56 WeakPolarHBondContact CE2-O 3.22Å; Y48-L58 HydrophobicContact CE2-CB 3.86Å; Y48-K61 HydrophobicContact CD2-CB 4.36Å; Y48-K61 HydrophobicContact CD2-CG 3.83Å; Y48-K61 HydrophobicContact CG-CG 4.37Å
49	D	69.4	Low	76.1	Confident	61 Å²	61	68.9 Å²	68.9	33%	0.326	36%	0.358	S	S	.	.			trans	-110.9	112.6	170.2	179.8	9.9	0	0	0	110.2	L47 E51 T52 N56	L47-D49 PolarHBondContact O-N 3.13Å; D49-E51 PolarHBondContact O-N 3.17Å; D49-E51 VanDerWaalsContact O-N 3.11Å; D49-E51 WeakPolarHBondContact OD1-CB 3.5Å; D49-E51 PolarHBondContact OD1-N 2.8Å; D49-T52 PolarHBondContact O-N 3.28Å; D49-T52 PolarHBondContact O-OG1 2.96Å; D49-N56 WeakPolarHBondContact O-CB 3.44Å
50	S	61.4	Low	76	Confident	71 Å²	71	68 Å²	68	50%	0.497	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.5	179.1	51.9	0	0	0	0	114
51	E	60	Low	75.9	Confident	169 Å²	169	65 Å²	65	79%	0.79	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-12.4	-177.4	-60.2	-165.3	176.7	0	0	113.9	D49	D49-E51 PolarHBondContact O-N 3.17Å; D49-E51 VanDerWaalsContact O-N 3.11Å; D49-E51 WeakPolarHBondContact OD1-CB 3.5Å; D49-E51 PolarHBondContact OD1-N 2.8Å
52	T	57.1	Low	75.9	Confident	60 Å²	60	64.5 Å²	64.5	37%	0.368	34%	0.341	S	S	.	.			trans	-117.8	112.6	-171	46.8	0	0	0	0	113.4	D49 N54 N56	D49-T52 PolarHBondContact O-N 3.28Å; D49-T52 PolarHBondContact O-OG1 2.96Å; T52-N54 PolarHBondContact O-N 3.01Å; T52-N56 WeakPolarHBondContact O-CB 3.2Å; T52-N56 WeakPolarHBondContact OG1-CB 3.41Å; T52-N56 PolarHBondContact OG1-ND2 3.3Å
53	K	54.8	Low	76	Confident	188 Å²	188	68.1 Å²	68.1	82%	0.817	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-15.6	-159.3	-78.3	-174.5	173.8	179.7	0	118.8
54	N	56.3	Low	76.1	Confident	164 Å²	164	65.7 Å²	65.7	88%	0.877	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.8	-10.5	-162.7	-72	-9.8	0	0	0	116.7	T52	T52-N54 PolarHBondContact O-N 3.01Å
55	A	50.3	Low	76.5	Confident	81 Å²	81	62.5 Å²	62.5	67%	0.669	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135	-15.9	171.3	0	0	0	0	0	113.1
56	N	62.7	Low	76.7	Confident	43 Å²	43	62.5 Å²	62.5	23%	0.23	34%	0.336	C	S	.	.			trans	-103.5	44.7	171.9	-68.8	-27.8	0	0	0	109.8	Y48 D49 T52	Y48-N56 HydrophobicContact CD2-CB 4.5Å; Y48-N56 WeakPolarHBondContact CD2-O 3.46Å; Y48-N56 WeakPolarHBondContact CE2-O 3.22Å; D49-N56 WeakPolarHBondContact O-CB 3.44Å; T52-N56 WeakPolarHBondContact O-CB 3.2Å; T52-N56 WeakPolarHBondContact OG1-CB 3.41Å; T52-N56 PolarHBondContact OG1-ND2 3.3Å
57	S	77.6	Confident	76.9	Confident	47 Å²	47	69.9 Å²	69.9	33%	0.329	37%	0.368	S	S	.	.			trans	-74.7	144.6	167.1	77.3	0	0	0	0	108.9	E59 A60 K61	S57-E59 PolarHBondContact O-N 3.13Å; S57-A60 WeakPolarHBondContact O-CB 3.34Å; S57-A60 PolarHBondContact O-N 2.91Å; S57-A60 WeakPolarHBondContact OG-CB 3.3Å; S57-A60 PolarHBondContact OG-N 3.05Å; S57-K61 PolarHBondContact O-N 3.17Å; S57-K61 VanDerWaalsContact O-N 3.14Å
58	L	82.4	Confident	77.4	Confident	13 Å²	13	66.7 Å²	66.7	7%	0.068	35%	0.349	C	S	.	.	H	α-helix	trans	-61.9	-38.3	-178.9	-174.9	149.4	0	0	0	110.8	E26 W35 Q39 L42 Y48 A60 K61 L62	E26-L58 HydrophobicContact CB-CD2 4.23Å; W35-L58 HydrophobicContact CH2-CD1 3.53Å; W35-L58 HydrophobicContact CH2-CD2 3.31Å; W35-L58 HydrophobicContact CH2-CG 3.95Å; W35-L58 HydrophobicContact CZ2-CD1 3.66Å; W35-L58 HydrophobicContact CZ2-CD2 4.27Å; W35-L58 HydrophobicContact CZ2-CG 4.47Å; W35-L58 HydrophobicContact CZ3-CD1 4.13Å; W35-L58 HydrophobicContact CZ3-CD2 3.61Å; Q39-L58 HydrophobicContact CG-CD1 3.37Å; L42-L58 HydrophobicContact CD1-CD1 4.49Å; L42-L58 HydrophobicContact CD1-CD2 4.24Å; L42-L58 HydrophobicContact CD1-CG 3.88Å; Y48-L58 HydrophobicContact CE2-CB 3.86Å; L58-A60 VanDerWaalsContact C-N 3.32Å; L58-A60 PolarHBondContact O-N 3.41Å; L58-K61 PolarHBondContact O-N 3.32Å; L58-L62 HydrophobicContact CD2-CD1 3.4Å; L58-L62 HydrophobicContact CD2-CG 3.8Å; L58-L62 WeakPolarHBondContact O-CG 3.31Å; L58-L62 PolarHBondContact O-N 2.84Å
59	E	87.8	Confident	78.3	Confident	70 Å²	70	66.1 Å²	66.1	33%	0.327	35%	0.348	S	S	.	.	H	α-helix	trans	-54.5	-45.4	171.9	-168.8	-168	158.7	0	0	112	E26 S57 L62 K63	E26-E59 HydrophobicContact CG-CB 3.88Å; E26-E59 HydrophobicContact CG-CG 4.34Å; S57-E59 PolarHBondContact O-N 3.13Å; E59-L62 PolarHBondContact O-N 3Å; E59-K63 WeakPolarHBondContact O-CG 3.13Å; E59-K63 PolarHBondContact O-N 2.91Å; E59-K63 VanDerWaalsContact OE1-CE 3.22Å; E59-K63 WeakPolarHBondContact OE1-CE 3.29Å; E59-K63 IonicContact OE1-NZ 2.93Å; E59-K63 PolarHBondContact OE1-NZ 3.22Å
60	A	88.3	Confident	79.4	Confident	37 Å²	37	66.5 Å²	66.5	31%	0.306	37%	0.366	S	S	.	.	H	α-helix	trans	-64.6	-42.1	179.9	0	0	0	0	0	111.6	S57 L58 K63 E64	S57-A60 WeakPolarHBondContact O-CB 3.34Å; S57-A60 PolarHBondContact O-N 2.91Å; S57-A60 WeakPolarHBondContact OG-CB 3.3Å; S57-A60 PolarHBondContact OG-N 3.05Å; L58-A60 VanDerWaalsContact C-N 3.32Å; L58-A60 PolarHBondContact O-N 3.41Å; A60-K63 PolarHBondContact O-N 3.33Å; A60-E64 PolarHBondContact O-N 3.16Å
61	K	89.4	Confident	81	Confident	25 Å²	25	64 Å²	64	11%	0.109	35%	0.347	C	S	.	.	H	α-helix	trans	-70	-32.5	177.4	-65.1	-56.2	-169	167.7	0	112.8	L42 Y46 Y48 S57 L58 E64 M65	L42-K61 HydrophobicContact CB-CB 4.44Å; L42-K61 HydrophobicContact CD1-CB 4.25Å; L42-K61 HydrophobicContact CD2-CB 4.21Å; Y46-K61 WeakPolarHBondContact O-CE 3.4Å; Y46-K61 PolarHBondContact O-NZ 3.05Å; Y48-K61 HydrophobicContact CD2-CB 4.36Å; Y48-K61 HydrophobicContact CD2-CG 3.83Å; Y48-K61 HydrophobicContact CG-CG 4.37Å; S57-K61 PolarHBondContact O-N 3.17Å; S57-K61 VanDerWaalsContact O-N 3.14Å; L58-K61 PolarHBondContact O-N 3.32Å; K61-E64 VanDerWaalsContact CD-OE2 3.22Å; K61-E64 WeakPolarHBondContact CD-OE2 3.32Å; K61-E64 IonicContact NZ-OE2 3.5Å; K61-E64 PolarHBondContact NZ-OE2 2.85Å; K61-E64 PolarHBondContact O-N 2.97Å; K61-M65 PolarHBondContact O-N 3.27Å
62	L	92.4	Very high	82.6	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.9	-45.7	167.8	-77.4	176.7	0	0	0	111.9	L42 L58 E59 E64 M65 E66 G75 L77 I81 M85	L42-L62 HydrophobicContact CD1-CD2 3.79Å; L42-L62 HydrophobicContact CD1-CG 3.84Å; L42-L62 HydrophobicContact CD2-CD2 4.39Å; L58-L62 HydrophobicContact CD2-CD1 3.4Å; L58-L62 HydrophobicContact CD2-CG 3.8Å; L58-L62 WeakPolarHBondContact O-CG 3.31Å; L58-L62 PolarHBondContact O-N 2.84Å; E59-L62 PolarHBondContact O-N 3Å; L62-E64 VanDerWaalsContact C-N 3.27Å; L62-E64 PolarHBondContact O-N 3.44Å; L62-M65 WeakPolarHBondContact O-CB 3.47Å; L62-M65 PolarHBondContact O-N 3.26Å; L62-E66 WeakPolarHBondContact O-CB 3.29Å; L62-E66 VanDerWaalsContact O-CG 3.29Å; L62-E66 WeakPolarHBondContact O-CG 3.43Å; L62-E66 PolarHBondContact O-N 3.16Å; L62-G75 WeakPolarHBondContact CD1-O 3.19Å; L62-L77 HydrophobicContact CD1-CD2 4.04Å; L62-L77 HydrophobicContact CD1-CG 4.07Å; L62-L77 HydrophobicContact CD2-CD2 3.55Å; L62-L77 HydrophobicContact CD2-CG 4.46Å; L62-L77 HydrophobicContact CG-CD2 4.46Å; L62-I81 HydrophobicContact CD2-CG2 4.41Å; L62-M85 HydrophobicContact CD2-CE 3.78Å
63	K	93	Very high	84.5	Confident	76 Å²	76	62.2 Å²	62.2	33%	0.33	35%	0.345	S	S	.	.	H	α-helix	trans	-62.4	-37.1	177.7	-71.2	179.6	-177.1	168.3	0	112.4	E59 A60 E66 K67 I73	E59-K63 WeakPolarHBondContact O-CG 3.13Å; E59-K63 PolarHBondContact O-N 2.91Å; E59-K63 VanDerWaalsContact OE1-CE 3.22Å; E59-K63 WeakPolarHBondContact OE1-CE 3.29Å; E59-K63 IonicContact OE1-NZ 2.93Å; E59-K63 PolarHBondContact OE1-NZ 3.22Å; A60-K63 PolarHBondContact O-N 3.33Å; K63-E66 WeakPolarHBondContact CA-OE2 3.18Å; K63-K67 VanDerWaalsContact O-CB 3.27Å; K63-K67 WeakPolarHBondContact O-CB 3.47Å; K63-K67 PolarHBondContact O-N 2.83Å; K63-I73 HydrophobicContact CB-CG2 3.66Å; K63-I73 HydrophobicContact CD-CG2 4.1Å; K63-I73 HydrophobicContact CG-CG2 3.59Å
64	E	91.9	Very high	86.3	Confident	74 Å²	74	56.3 Å²	56.3	35%	0.346	32%	0.324	S	S	.	.	H	α-helix	trans	-63.2	-45.8	173.9	-170.6	170.9	-159.3	0	0	111.4	Y46 A60 K61 L62 K67 F68 V95	Y46-E64 HydrophobicContact CD1-CB 4.15Å; Y46-E64 HydrophobicContact CD1-CG 3.83Å; Y46-E64 HydrophobicContact CE1-CB 4.44Å; Y46-E64 HydrophobicContact CE1-CG 4.05Å; A60-E64 PolarHBondContact O-N 3.16Å; K61-E64 VanDerWaalsContact CD-OE2 3.22Å; K61-E64 WeakPolarHBondContact CD-OE2 3.32Å; K61-E64 IonicContact NZ-OE2 3.5Å; K61-E64 PolarHBondContact NZ-OE2 2.85Å; K61-E64 PolarHBondContact O-N 2.97Å; L62-E64 VanDerWaalsContact C-N 3.27Å; L62-E64 PolarHBondContact O-N 3.44Å; E64-K67 PolarHBondContact O-N 2.91Å; E64-F68 WeakPolarHBondContact O-CB 3.45Å; E64-F68 PolarHBondContact O-N 2.81Å; E64-V95 HydrophobicContact CG-CG1 4.06Å; E64-V95 WeakPolarHBondContact OE1-CG1 3.4Å
65	M	94.3	Very high	88	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-61.8	-51.1	173.9	179.4	-171	173.3	0	0	112.6	Y41 L42 Y46 K61 L62 K67 F68 F69 I81 I84 M85	Y41-M65 HydrophobicContact CD1-SD 4.11Å; Y41-M65 HydrophobicContact CE1-CE 3.66Å; Y41-M65 HydrophobicContact CE1-CG 4.44Å; Y41-M65 HydrophobicContact CE1-SD 3.55Å; Y41-M65 VanDerWaalsContact CE1-SD 3.55Å; L42-M65 HydrophobicContact CD2-CB 4.21Å; L42-M65 HydrophobicContact CD2-SD 4.24Å; Y46-M65 HydrophobicContact CD1-CB 4.4Å; Y46-M65 HydrophobicContact CD2-CB 4.26Å; Y46-M65 VanDerWaalsContact CE1-CA 3.46Å; Y46-M65 HydrophobicContact CE1-CB 3.86Å; Y46-M65 HydrophobicContact CE2-CB 3.7Å; Y46-M65 HydrophobicContact CE2-CG 3.74Å; Y46-M65 HydrophobicContact CE2-SD 4.44Å; Y46-M65 VanDerWaalsContact CZ-CA 3.41Å; Y46-M65 VanDerWaalsContact CZ-CB 3.48Å; Y46-M65 WeakPolarHBondContact OH-CA 3.24Å; K61-M65 PolarHBondContact O-N 3.27Å; L62-M65 WeakPolarHBondContact O-CB 3.47Å; L62-M65 PolarHBondContact O-N 3.26Å; M65-K67 PolarHBondContact O-N 3.25Å; M65-F68 WeakPolarHBondContact O-CB 3.45Å; M65-F68 PolarHBondContact O-N 3Å; M65-F69 HydrophobicContact CE-CD2 4.04Å; M65-F69 HydrophobicContact CE-CE2 4.01Å; M65-F69 HydrophobicContact CG-CD2 3.69Å; M65-F69 HydrophobicContact CG-CE2 3.99Å; M65-F69 WeakPolarHBondContact O-CD2 3.45Å; M65-F69 PolarHBondContact O-N 3.31Å; M65-I81 HydrophobicContact CE-CG2 4.42Å; M65-I81 HydrophobicContact SD-CG2 4.43Å; M65-I84 HydrophobicContact CE-CB 4.35Å; M65-I84 HydrophobicContact CE-CG2 3.71Å; M65-M85 HydrophobicContact CE-CE 4.16Å; M65-M85 HydrophobicContact CE-CG 3.74Å; M65-M85 HydrophobicContact SD-CE 3.39Å; M65-M85 WeakPolarHBondContact SD-CE 3.29Å; M65-M85 HydrophobicContact SD-CG 4.22Å
66	E	95.2	Very high	90	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.009	27%	0.267	C	S	.	.	H	α-helix	trans	-55.3	-44.6	179.1	-72.9	167.9	144.1	0	0	110.6	L62 K63 F69 G70 L71 I73 T74 G75 I81	L62-E66 WeakPolarHBondContact O-CB 3.29Å; L62-E66 VanDerWaalsContact O-CG 3.29Å; L62-E66 WeakPolarHBondContact O-CG 3.43Å; L62-E66 PolarHBondContact O-N 3.16Å; K63-E66 WeakPolarHBondContact CA-OE2 3.18Å; E66-F69 PolarHBondContact O-N 3.06Å; E66-G70 PolarHBondContact O-N 2.92Å; E66-G70 VanDerWaalsContact O-N 3.09Å; E66-L71 HydrophobicContact CB-CB 4.13Å; E66-L71 HydrophobicContact CG-CB 4.42Å; E66-L71 PolarHBondContact O-N 3.37Å; E66-I73 HydrophobicContact CB-CG1 4.37Å; E66-I73 VanDerWaalsContact OE2-CA 3.31Å; E66-I73 WeakPolarHBondContact OE2-CA 3.37Å; E66-T74 VanDerWaalsContact CD-N 3.27Å; E66-T74 PolarHBondContact OE1-N 3.14Å; E66-T74 VanDerWaalsContact OE1-N 3.14Å; E66-T74 PolarHBondContact OE1-OG1 2.96Å; E66-T74 PolarHBondContact OE2-N 3Å; E66-G75 PolarHBondContact OE1-N 2.86Å; E66-G75 PolarHBondContact OE2-N 3.26Å; E66-I81 HydrophobicContact CG-CD1 4.11Å
67	K	94.1	Very high	91.4	Very high	155 Å²	155	46 Å²	46	67%	0.674	26%	0.256	S	S	*	.	H	α-helix	trans	-61	-46.6	175.3	-177.8	-179.1	175.6	-173.5	0	112	K63 E64 M65 F69 G70 I73	K63-K67 VanDerWaalsContact O-CB 3.27Å; K63-K67 WeakPolarHBondContact O-CB 3.47Å; K63-K67 PolarHBondContact O-N 2.83Å; E64-K67 PolarHBondContact O-N 2.91Å; M65-K67 PolarHBondContact O-N 3.25Å; K67-F69 VanDerWaalsContact C-N 3.33Å; K67-F69 PolarHBondContact O-N 2.99Å; K67-G70 PolarHBondContact O-N 3.3Å; K67-I73 HydrophobicContact CB-CD1 3.9Å; K67-I73 HydrophobicContact CB-CG1 4.34Å; K67-I73 HydrophobicContact CG-CD1 4.24Å
68	F	93.1	Very high	92.1	Very high	33 Å²	33	46.5 Å²	46.5	15%	0.145	26%	0.256	C	S	.	.	H	α-helix	trans	-59.9	-43.4	179.2	179.9	-84	0	0	0	111.8	Y46 E64 M65 G70 D94 H227 S228 S229 P237	Y46-F68 HydrophobicContact CE1-CB 4.44Å; E64-F68 WeakPolarHBondContact O-CB 3.45Å; E64-F68 PolarHBondContact O-N 2.81Å; M65-F68 WeakPolarHBondContact O-CB 3.45Å; M65-F68 PolarHBondContact O-N 3Å; F68-G70 VanDerWaalsContact C-N 3.28Å; F68-G70 PolarHBondContact O-N 2.64Å; F68-D94 HydrophobicContact CD2-CB 4.3Å; F68-D94 HydrophobicContact CE2-CB 4.21Å; F68-D94 HydrophobicContact CZ-CB 4.34Å; F68-H227 HydrophobicContact CE2-CB 4.17Å; F68-H227 HydrophobicContact CZ-CB 3.68Å; F68-S228 WeakPolarHBondContact CZ-O 3.43Å; F68-S229 WeakPolarHBondContact O-CB 3.36Å; F68-P237 HydrophobicContact CE1-CG 3.74Å; F68-P237 HydrophobicContact CZ-CG 4.25Å
69	F	92.9	Very high	92.5	Very high	18 Å²	18	49.5 Å²	49.5	8%	0.079	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	3.1	-179.9	-78.3	-87.1	0	0	0	114	Y46 M65 E66 K67 L71 I84 Y236 P237	Y46-F69 WeakPolarHBondContact OH-CE2 3Å; M65-F69 HydrophobicContact CE-CD2 4.04Å; M65-F69 HydrophobicContact CE-CE2 4.01Å; M65-F69 HydrophobicContact CG-CD2 3.69Å; M65-F69 HydrophobicContact CG-CE2 3.99Å; M65-F69 WeakPolarHBondContact O-CD2 3.45Å; M65-F69 PolarHBondContact O-N 3.31Å; E66-F69 PolarHBondContact O-N 3.06Å; K67-F69 VanDerWaalsContact C-N 3.33Å; K67-F69 PolarHBondContact O-N 2.99Å; F69-L71 VanDerWaalsContact C-N 3.29Å; F69-L71 HydrophobicContact CB-CD1 3.96Å; F69-L71 HydrophobicContact CB-CG 3.85Å; F69-L71 PolarHBondContact O-N 3.02Å; F69-I84 HydrophobicContact CD1-CG2 3.86Å; F69-I84 HydrophobicContact CE1-CG2 3.77Å; F69-I84 HydrophobicContact CE2-CG2 4.46Å; F69-I84 HydrophobicContact CG-CG2 4.29Å; F69-I84 HydrophobicContact CZ-CG2 4.09Å; F69-Y236 HydrophobicContact CD1-CE2 4.5Å; F69-Y236 AromaticContact CD1-CZ 3.94Å; F69-Y236 WeakPolarHBondContact CD1-OH 3.46Å; F69-Y236 HydrophobicContact CE1-CE1 4.44Å; F69-Y236 AromaticContact CE1-CZ 3.92Å; F69-P237 HydrophobicContact CE1-CG 4.17Å; F69-P237 HydrophobicContact CZ-CG 3.86Å
70	G	92.6	Very high	92.7	Very high	69 Å²	69	53.2 Å²	53.2	71%	0.711	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	28.3	-179.1	0	0	0	0	0	114.1	E66 K67 F68	E66-G70 PolarHBondContact O-N 2.92Å; E66-G70 VanDerWaalsContact O-N 3.09Å; K67-G70 PolarHBondContact O-N 3.3Å; F68-G70 VanDerWaalsContact C-N 3.28Å; F68-G70 PolarHBondContact O-N 2.64Å
71	L	94.2	Very high	92.9	Very high	20 Å²	20	51.6 Å²	51.6	11%	0.105	28%	0.275	C	S	.	.			trans	-90.1	161.7	179.4	-54.9	175.8	0	0	0	111.2	E66 F69 I73 I81 I84	E66-L71 HydrophobicContact CB-CB 4.13Å; E66-L71 HydrophobicContact CG-CB 4.42Å; E66-L71 PolarHBondContact O-N 3.37Å; F69-L71 VanDerWaalsContact C-N 3.29Å; F69-L71 HydrophobicContact CB-CD1 3.96Å; F69-L71 HydrophobicContact CB-CG 3.85Å; F69-L71 PolarHBondContact O-N 3.02Å; L71-I73 PolarHBondContact O-N 3.03Å; L71-I81 HydrophobicContact CD1-CG1 4.31Å; L71-I84 HydrophobicContact CD1-CD1 3.59Å; L71-I84 HydrophobicContact CD2-CD1 3.97Å; L71-I84 HydrophobicContact CG-CD1 4.34Å
72	P	95.1	Very high	93.1	Very high	93 Å²	93	50.7 Å²	50.7	60%	0.604	27%	0.271	S	S	*	.			trans	-55.4	127.6	165.9	-23.6	34.7	0	0	0	110.7	T74	P72-T74 HydrophobicContact CB-CG2 4.35Å; P72-T74 PolarHBondContact O-N 3.06Å
73	I	95.8	Very high	93.1	Very high	98 Å²	98	56.3 Å²	56.3	50%	0.503	30%	0.297	S	S	.	.			trans	-84.8	96.6	-175.9	-56.6	173.2	0	0	0	108.8	K63 E66 K67 L71	K63-I73 HydrophobicContact CB-CG2 3.66Å; K63-I73 HydrophobicContact CD-CG2 4.1Å; K63-I73 HydrophobicContact CG-CG2 3.59Å; E66-I73 HydrophobicContact CB-CG1 4.37Å; E66-I73 VanDerWaalsContact OE2-CA 3.31Å; E66-I73 WeakPolarHBondContact OE2-CA 3.37Å; K67-I73 HydrophobicContact CB-CD1 3.9Å; K67-I73 HydrophobicContact CB-CG1 4.34Å; K67-I73 HydrophobicContact CG-CD1 4.24Å; L71-I73 PolarHBondContact O-N 3.03Å
74	T	93.6	Very high	93.1	Very high	63 Å²	63	53.5 Å²	53.5	39%	0.387	29%	0.286	S	S	.	.			trans	-111.5	-26.6	-177.2	70.4	0	0	0	0	112.9	E66 P72 M76	E66-T74 VanDerWaalsContact CD-N 3.27Å; E66-T74 PolarHBondContact OE1-N 3.14Å; E66-T74 VanDerWaalsContact OE1-N 3.14Å; E66-T74 PolarHBondContact OE1-OG1 2.96Å; E66-T74 PolarHBondContact OE2-N 3Å; P72-T74 HydrophobicContact CB-CG2 4.35Å; P72-T74 PolarHBondContact O-N 3.06Å; T74-M76 PolarHBondContact O-N 3.05Å; T74-M76 PolarHBondContact OG1-N 3.18Å; T74-M76 VanDerWaalsContact OG1-N 3.16Å; T74-M76 PolarHBondContact OG1-O 3.44Å
75	G	92.6	Very high	93.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	67.1	16.5	-170.2	0	0	0	0	0	113.6	L62 E66	L62-G75 WeakPolarHBondContact CD1-O 3.19Å; E66-G75 PolarHBondContact OE1-N 2.86Å; E66-G75 PolarHBondContact OE2-N 3.26Å
76	M	92	Very high	93	Very high	68 Å²	68	55.7 Å²	55.7	34%	0.335	30%	0.296	S	S	.	.			trans	-123.3	135.2	-176.6	-66.4	-174.7	62.5	0	0	110.6	T74 I81	T74-M76 PolarHBondContact O-N 3.05Å; T74-M76 PolarHBondContact OG1-N 3.18Å; T74-M76 VanDerWaalsContact OG1-N 3.16Å; T74-M76 PolarHBondContact OG1-O 3.44Å; M76-I81 WeakPolarHBondContact O-CD1 3.29Å
77	L	92.2	Very high	92.9	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.016	32%	0.318	C	S	.	.			trans	-65.2	143.7	171	-67.9	-177.8	0	0	0	111.5	E26 M30 W35 A38 L62 I81 I82 M85	E26-L77 PolarHBondContact O-N 3.43Å; M30-L77 HydrophobicContact CG-CB 3.85Å; M30-L77 HydrophobicContact CG-CD1 4.38Å; W35-L77 HydrophobicContact CE3-CD1 3.43Å; W35-L77 VanDerWaalsContact CE3-CD1 3.43Å; W35-L77 HydrophobicContact CE3-CG 4.4Å; W35-L77 HydrophobicContact CZ3-CD1 3.74Å; W35-L77 HydrophobicContact CZ3-CG 4.25Å; A38-L77 HydrophobicContact CB-CD1 3.52Å; A38-L77 HydrophobicContact CB-CD2 3.79Å; A38-L77 HydrophobicContact CB-CG 4.28Å; L62-L77 HydrophobicContact CD1-CD2 4.04Å; L62-L77 HydrophobicContact CD1-CG 4.07Å; L62-L77 HydrophobicContact CD2-CD2 3.55Å; L62-L77 HydrophobicContact CD2-CG 4.46Å; L62-L77 HydrophobicContact CG-CD2 4.46Å; L77-I81 HydrophobicContact CD2-CG2 3.72Å; L77-I82 HydrophobicContact CD1-CD1 4.29Å; L77-I82 HydrophobicContact CD2-CD1 4.31Å; L77-M85 HydrophobicContact CD2-CE 4.11Å; L77-M85 HydrophobicContact CD2-SD 4.4Å
78	N	90.9	Very high	92.8	Very high	59 Å²	59	56 Å²	56	32%	0.316	30%	0.303	S	S	.	.			trans	-148.5	171.6	169.9	60	59	0	0	0	108.8	R80 I81 I82	N78-R80 VanDerWaalsContact C-N 3.25Å; N78-R80 PolarHBondContact O-N 3.36Å; N78-R80 WeakPolarHBondContact OD1-CB 3.14Å; N78-R80 PolarHBondContact OD1-N 2.92Å; N78-R80 VanDerWaalsContact OD1-N 3.08Å; N78-I81 WeakPolarHBondContact ND2-CD1 3.42Å; N78-I81 PolarHBondContact O-N 3.19Å; N78-I81 VanDerWaalsContact O-N 3.11Å; N78-I81 PolarHBondContact OD1-N 3.41Å; N78-I82 PolarHBondContact O-N 3.43Å; N78-I82 VanDerWaalsContact O-N 3.11Å
79	S	91.3	Very high	92.9	Very high	76 Å²	76	54.4 Å²	54.4	53%	0.531	30%	0.296	S	S	.	.	H	α-helix	trans	-54.4	-40.9	-178	52.1	0	0	0	0	112.9	I81 I82 E83	S79-I81 PolarHBondContact O-N 2.78Å; S79-I82 PolarHBondContact O-N 3.29Å; S79-E83 WeakPolarHBondContact O-CG 3.32Å; S79-E83 PolarHBondContact O-N 2.71Å
80	R	92.1	Very high	93.1	Very high	147 Å²	147	53.5 Å²	53.5	56%	0.555	29%	0.292	S	S	*	.	H	α-helix	trans	-65.3	-38.3	179.7	-175.8	177.6	178.9	179.2	-0.9	112.6	N78 I84	N78-R80 VanDerWaalsContact C-N 3.25Å; N78-R80 PolarHBondContact O-N 3.36Å; N78-R80 WeakPolarHBondContact OD1-CB 3.14Å; N78-R80 PolarHBondContact OD1-N 2.92Å; N78-R80 VanDerWaalsContact OD1-N 3.08Å; R80-I84 HydrophobicContact CG-CD1 4.4Å; R80-I84 WeakPolarHBondContact O-CG1 3.43Å; R80-I84 PolarHBondContact O-N 2.97Å; R80-I84 VanDerWaalsContact O-N 3.14Å
81	I	93.3	Very high	93.2	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.021	26%	0.263	C	S	.	.	H	α-helix	trans	-66.4	-44.1	175.9	-69	169.3	0	0	0	110.1	L62 M65 E66 L71 M76 L77 N78 S79 E83 I84 M85	L62-I81 HydrophobicContact CD2-CG2 4.41Å; M65-I81 HydrophobicContact CE-CG2 4.42Å; M65-I81 HydrophobicContact SD-CG2 4.43Å; E66-I81 HydrophobicContact CG-CD1 4.11Å; L71-I81 HydrophobicContact CD1-CG1 4.31Å; M76-I81 WeakPolarHBondContact O-CD1 3.29Å; L77-I81 HydrophobicContact CD2-CG2 3.72Å; N78-I81 WeakPolarHBondContact ND2-CD1 3.42Å; N78-I81 PolarHBondContact O-N 3.19Å; N78-I81 VanDerWaalsContact O-N 3.11Å; N78-I81 PolarHBondContact OD1-N 3.41Å; S79-I81 PolarHBondContact O-N 2.78Å; I81-E83 VanDerWaalsContact C-N 3.35Å; I81-E83 PolarHBondContact O-N 2.97Å; I81-I84 PolarHBondContact O-N 3.38Å; I81-I84 VanDerWaalsContact O-N 3.15Å; I81-M85 HydrophobicContact CG2-CE 3.67Å; I81-M85 HydrophobicContact CG2-CG 4.33Å; I81-M85 HydrophobicContact CG2-SD 4Å; I81-M85 WeakPolarHBondContact O-CG 3.27Å; I81-M85 PolarHBondContact O-N 3Å
82	I	93.3	Very high	93.2	Very high	5 Å²	5	50 Å²	50	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-61.5	-43.6	177	-63.7	-60.9	0	0	0	111.2	M30 Q34 A38 L77 N78 S79 I84 M85 Q86	M30-I82 HydrophobicContact CG-CG1 4.47Å; M30-I82 HydrophobicContact SD-CG1 4.15Å; Q34-I82 HydrophobicContact CB-CD1 4.11Å; Q34-I82 HydrophobicContact CG-CG2 4.4Å; A38-I82 HydrophobicContact CB-CD1 4.46Å; L77-I82 HydrophobicContact CD1-CD1 4.29Å; L77-I82 HydrophobicContact CD2-CD1 4.31Å; N78-I82 PolarHBondContact O-N 3.43Å; N78-I82 VanDerWaalsContact O-N 3.11Å; S79-I82 PolarHBondContact O-N 3.29Å; I82-I84 VanDerWaalsContact C-N 3.26Å; I82-I84 PolarHBondContact O-N 3.26Å; I82-M85 HydrophobicContact CD1-SD 4.27Å; I82-M85 PolarHBondContact O-N 3.48Å; I82-M85 VanDerWaalsContact O-N 3.14Å; I82-Q86 HydrophobicContact CG2-CG 4.3Å; I82-Q86 WeakPolarHBondContact O-CB 3.27Å; I82-Q86 VanDerWaalsContact O-CG 3.29Å; I82-Q86 WeakPolarHBondContact O-CG 3.41Å; I82-Q86 PolarHBondContact O-N 2.84Å
83	E	92.1	Very high	93	Very high	118 Å²	118	46.7 Å²	46.7	55%	0.551	24%	0.238	S	C	*	.	H	α-helix	trans	-57.7	-38.8	175	-75.9	168.4	-159	0	0	112.2	S79 I81 K87	S79-E83 WeakPolarHBondContact O-CG 3.32Å; S79-E83 PolarHBondContact O-N 2.71Å; I81-E83 VanDerWaalsContact C-N 3.35Å; I81-E83 PolarHBondContact O-N 2.97Å; E83-K87 WeakPolarHBondContact O-CG 3.27Å; E83-K87 PolarHBondContact O-N 2.9Å
84	I	92.3	Very high	92.6	Very high	18 Å²	18	42.6 Å²	42.6	9%	0.092	22%	0.217	C	C	.	.	H	α-helix	trans	-68.6	-44.7	175.5	-68.3	165.8	0	0	0	110.6	M65 F69 L71 R80 I81 I82 Q86 K87	M65-I84 HydrophobicContact CE-CB 4.35Å; M65-I84 HydrophobicContact CE-CG2 3.71Å; F69-I84 HydrophobicContact CD1-CG2 3.86Å; F69-I84 HydrophobicContact CE1-CG2 3.77Å; F69-I84 HydrophobicContact CE2-CG2 4.46Å; F69-I84 HydrophobicContact CG-CG2 4.29Å; F69-I84 HydrophobicContact CZ-CG2 4.09Å; L71-I84 HydrophobicContact CD1-CD1 3.59Å; L71-I84 HydrophobicContact CD2-CD1 3.97Å; L71-I84 HydrophobicContact CG-CD1 4.34Å; R80-I84 HydrophobicContact CG-CD1 4.4Å; R80-I84 WeakPolarHBondContact O-CG1 3.43Å; R80-I84 PolarHBondContact O-N 2.97Å; R80-I84 VanDerWaalsContact O-N 3.14Å; I81-I84 PolarHBondContact O-N 3.38Å; I81-I84 VanDerWaalsContact O-N 3.15Å; I82-I84 VanDerWaalsContact C-N 3.26Å; I82-I84 PolarHBondContact O-N 3.26Å; I84-Q86 PolarHBondContact O-N 2.9Å; I84-K87 WeakPolarHBondContact O-CB 3.41Å; I84-K87 PolarHBondContact O-N 2.78Å; I84-K87 VanDerWaalsContact O-N 3.13Å
85	M	93.2	Very high	91.6	Very high	10 Å²	10	41 Å²	41	5%	0.049	21%	0.208	C	C	.	.	H	α-helix	trans	-62.7	-25.6	179	-69.5	177.3	167.7	0	0	113.2	A38 Y41 L42 L62 M65 L77 I81 I82	A38-M85 HydrophobicContact CB-CE 3.98Å; A38-M85 HydrophobicContact CB-SD 3.66Å; Y41-M85 HydrophobicContact CD1-CE 3.93Å; Y41-M85 HydrophobicContact CD1-CG 3.82Å; Y41-M85 HydrophobicContact CD1-SD 4.33Å; Y41-M85 HydrophobicContact CD2-CB 3.73Å; Y41-M85 HydrophobicContact CD2-CG 3.87Å; Y41-M85 HydrophobicContact CE1-CE 4.45Å; Y41-M85 HydrophobicContact CE1-CG 4.01Å; Y41-M85 HydrophobicContact CE2-CB 3.98Å; Y41-M85 HydrophobicContact CE2-CG 4.06Å; Y41-M85 HydrophobicContact CG-CB 4.03Å; Y41-M85 HydrophobicContact CG-CE 4.43Å; Y41-M85 HydrophobicContact CG-CG 3.73Å; Y41-M85 HydrophobicContact CG-SD 4.27Å; L42-M85 HydrophobicContact CD2-CE 4.28Å; L42-M85 HydrophobicContact CG-CE 4.22Å; L62-M85 HydrophobicContact CD2-CE 3.78Å; M65-M85 HydrophobicContact CE-CE 4.16Å; M65-M85 HydrophobicContact CE-CG 3.74Å; M65-M85 HydrophobicContact SD-CE 3.39Å; M65-M85 WeakPolarHBondContact SD-CE 3.29Å; M65-M85 HydrophobicContact SD-CG 4.22Å; L77-M85 HydrophobicContact CD2-CE 4.11Å; L77-M85 HydrophobicContact CD2-SD 4.4Å; I81-M85 HydrophobicContact CG2-CE 3.67Å; I81-M85 HydrophobicContact CG2-CG 4.33Å; I81-M85 HydrophobicContact CG2-SD 4Å; I81-M85 WeakPolarHBondContact O-CG 3.27Å; I81-M85 PolarHBondContact O-N 3Å; I82-M85 HydrophobicContact CD1-SD 4.27Å; I82-M85 PolarHBondContact O-N 3.48Å; I82-M85 VanDerWaalsContact O-N 3.14Å
86	Q	91.6	Very high	90.1	Very high	110 Å²	110	42.1 Å²	42.1	51%	0.514	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.8	178.8	-71.9	175.1	-9.8	0	0	113.7	I82 I84	I82-Q86 HydrophobicContact CG2-CG 4.3Å; I82-Q86 WeakPolarHBondContact O-CB 3.27Å; I82-Q86 VanDerWaalsContact O-CG 3.29Å; I82-Q86 WeakPolarHBondContact O-CG 3.41Å; I82-Q86 PolarHBondContact O-N 2.84Å; I84-Q86 PolarHBondContact O-N 2.9Å
87	K	92.4	Very high	88.4	Confident	109 Å²	109	43.8 Å²	43.8	47%	0.474	22%	0.223	S	C	.	.	S	Bend	trans	-71.1	130.5	178	-76.1	177.2	-175.9	-176.2	0	110.1	E83 I84 R89 T238	E83-K87 WeakPolarHBondContact O-CG 3.27Å; E83-K87 PolarHBondContact O-N 2.9Å; I84-K87 WeakPolarHBondContact O-CB 3.41Å; I84-K87 PolarHBondContact O-N 2.78Å; I84-K87 VanDerWaalsContact O-N 3.13Å; K87-R89 PolarHBondContact O-N 3.25Å; K87-T238 HydrophobicContact CB-CG2 3.87Å; K87-T238 HydrophobicContact CD-CG2 4.36Å
88	P	93.4	Very high	86.6	Confident	54 Å²	54	45 Å²	45	35%	0.351	23%	0.228	S	C	.	.			trans	-56.6	138.3	170.2	-23.7	33.9	0	0	0	111.6	N177 L179	P88-N177 CarbonylContact C-O 3.52Å; P88-N177 WeakPolarHBondContact CA-O 3.38Å; P88-L179 HydrophobicContact CB-CD1 3.74Å; P88-L179 HydrophobicContact CB-CD2 3.67Å; P88-L179 HydrophobicContact CB-CG 3.79Å
89	R	95.3	Very high	84.2	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	172.9	-168.3	56.8	171	-68.8	154.6	3.6	112.6	Y41 F45 K87 D94 N177 L179 P237 T238	Y41-R89 PolarHBondContact OH-NH1 2.59Å; F45-R89 HydrophobicContact CZ-CG 4.1Å; K87-R89 PolarHBondContact O-N 3.25Å; R89-D94 IonicContact CZ-OD1 3.71Å; R89-D94 IonicContact CZ-OD2 2.78Å; R89-D94 IonicContact NH1-OD1 3.46Å; R89-D94 IonicContact NH1-OD2 2.69Å; R89-D94 PolarHBondContact NH1-OD2 3.18Å; R89-D94 IonicContact NH2-OD1 3.68Å; R89-D94 PolarHBondContact NH2-OD1 3.03Å; R89-D94 IonicContact NH2-OD2 3.65Å; R89-D94 PolarHBondContact NH2-OD2 3.23Å; R89-N177 PolarHBondContact N-O 3.46Å; R89-L179 PolarHBondContact O-N 3.3Å; R89-P237 CarbonylContact C-O 3.54Å; R89-P237 VanDerWaalsContact CA-O 3.25Å; R89-P237 WeakPolarHBondContact CA-O 3.16Å; R89-P237 WeakPolarHBondContact CB-O 3.44Å; R89-T238 HydrophobicContact CB-CG2 4.09Å
90	C	96.7	Very high	81.8	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	140.9	166.5	175.4	0	0	0	0	111.3	F45 V92 H217 E218 H227 P237 Y239	F45-C90 VanDerWaalsContact CE1-O 3.24Å; F45-C90 WeakPolarHBondContact CE1-O 3.23Å; C90-V92 VanDerWaalsContact C-N 3.33Å; C90-V92 VanDerWaalsContact SG-CB 3.55Å; C90-V92 VanDerWaalsContact SG-CG2 3.57Å; C90-V92 PolarHBondContact SG-N 3.13Å; C90-H217 VanDerWaalsContact CB-NE2 3.32Å; C90-H217 WeakPolarHBondContact CB-NE2 3.34Å; C90-E218 PolarHBondContact SG-OE1 3.35Å; C90-E218 VanDerWaalsContact SG-OE1 3.38Å; C90-H227 WeakPolarHBondContact CB-NE2 3.19Å; C90-H227 PolarHBondContact SG-NE2 3.38Å; C90-H227 VanDerWaalsContact SG-NE2 3.39Å; C90-P237 PolarHBondContact N-O 3.2Å; C90-Y239 HydrophobicContact CB-CE1 4.15Å
91	G	94.9	Very high	79.7	Confident	9 Å²	9	45.7 Å²	45.7	9%	0.093	24%	0.237	C	C	.	.	S	Bend	trans	-78.7	-9.8	179.8	0	0	0	0	0	115.1	A180	G91-A180 WeakPolarHBondContact CA-O 3.28Å; G91-A180 PolarHBondContact N-O 2.88Å
92	V	93.3	Very high	77.3	Confident	5 Å²	5	51 Å²	51	3%	0.03	27%	0.272	C	S	.	.	S	Bend	trans	-73.5	139.3	179.6	178.3	0	0	0	0	110.5	C90 A96 Y98 H181 A182 H227	C90-V92 VanDerWaalsContact C-N 3.33Å; C90-V92 VanDerWaalsContact SG-CB 3.55Å; C90-V92 VanDerWaalsContact SG-CG2 3.57Å; C90-V92 PolarHBondContact SG-N 3.13Å; V92-A96 HydrophobicContact CG1-CB 4.46Å; V92-Y98 HydrophobicContact CG1-CE2 3.58Å; V92-Y98 WeakPolarHBondContact CG1-OH 3.17Å; V92-H181 HydrophobicContact CG2-CB 4.18Å; V92-A182 WeakPolarHBondContact CG2-O 3.33Å; V92-H227 PolarHBondContact O-CE1 3.3Å
93	P	91	Very high	75.4	Confident	24 Å²	24	58.3 Å²	58.3	16%	0.156	31%	0.311	C	S	.	.			trans	-62.6	139.1	177.5	-22.3	32.5	0	0	0	113.5	F45 L47 V95 A96	F45-P93 CarbonylContact O-C 3.5Å; F45-P93 WeakPolarHBondContact O-CA 3.4Å; L47-P93 HydrophobicContact CD2-CB 4.27Å; L47-P93 HydrophobicContact CD2-CG 4.15Å; P93-V95 PolarHBondContact O-N 3.15Å; P93-A96 HydrophobicContact CB-CB 4.14Å; P93-A96 VanDerWaalsContact O-CB 3.25Å; P93-A96 WeakPolarHBondContact O-CB 3.26Å; P93-A96 PolarHBondContact O-N 3.11Å
94	D	87.3	Confident	74.3	Confident	13 Å²	13	54.6 Å²	54.6	7%	0.07	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-28.1	-179.8	-72.9	-35.8	0	0	0	112.8	F45 Y46 F68 R89 H227	F45-D94 PolarHBondContact O-N 3.09Å; Y46-D94 HydrophobicContact CE1-CB 4.08Å; Y46-D94 HydrophobicContact CE2-CB 4.18Å; Y46-D94 WeakPolarHBondContact CE2-OD2 3.21Å; Y46-D94 PolarHBondContact OH-OD2 2.88Å; F68-D94 HydrophobicContact CD2-CB 4.3Å; F68-D94 HydrophobicContact CE2-CB 4.21Å; F68-D94 HydrophobicContact CZ-CB 4.34Å; R89-D94 IonicContact CZ-OD1 3.71Å; R89-D94 IonicContact CZ-OD2 2.78Å; R89-D94 IonicContact NH1-OD1 3.46Å; R89-D94 IonicContact NH1-OD2 2.69Å; R89-D94 PolarHBondContact NH1-OD2 3.18Å; R89-D94 IonicContact NH2-OD1 3.68Å; R89-D94 PolarHBondContact NH2-OD1 3.03Å; R89-D94 IonicContact NH2-OD2 3.65Å; R89-D94 PolarHBondContact NH2-OD2 3.23Å; D94-H227 IonicContact OD1-CE1 2.84Å; D94-H227 PolarHBondContact OD1-CE1 3.43Å; D94-H227 IonicContact OD1-CG 2.71Å; D94-H227 IonicContact OD1-ND1 2.62Å; D94-H227 PolarHBondContact OD1-ND1 2.98Å
95	V	72.4	Confident	73.6	Confident	30 Å²	30	55.3 Å²	55.3	18%	0.182	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	11.2	179.8	-56.6	0	0	0	0	111.9	Y46 L47 E64 P93 E97	Y46-V95 HydrophobicContact CD1-CG1 3.48Å; Y46-V95 VanDerWaalsContact CD1-CG1 3.48Å; Y46-V95 HydrophobicContact CE1-CG1 3.81Å; Y46-V95 HydrophobicContact CG-CG1 4.38Å; L47-V95 HydrophobicContact CD1-CG2 4.1Å; L47-V95 HydrophobicContact CG-CG2 4.01Å; E64-V95 HydrophobicContact CG-CG1 4.06Å; E64-V95 WeakPolarHBondContact OE1-CG1 3.4Å; P93-V95 PolarHBondContact O-N 3.15Å; V95-E97 PolarHBondContact O-N 3.21Å
96	A	61.9	Low	73.6	Confident	22 Å²	22	59.6 Å²	59.6	18%	0.182	32%	0.322	C	S	.	.			trans	-62.8	106.7	172.3	0	0	0	0	0	108.4	V92 P93 Y98	V92-A96 HydrophobicContact CG1-CB 4.46Å; P93-A96 HydrophobicContact CB-CB 4.14Å; P93-A96 VanDerWaalsContact O-CB 3.25Å; P93-A96 WeakPolarHBondContact O-CB 3.26Å; P93-A96 PolarHBondContact O-N 3.11Å; A96-Y98 HydrophobicContact CB-CD2 3.8Å; A96-Y98 HydrophobicContact CB-CE1 4.34Å; A96-Y98 HydrophobicContact CB-CE2 3.33Å; A96-Y98 WeakPolarHBondContact O-CD2 3.17Å; A96-Y98 PolarHBondContact O-N 3.34Å
97	E	55.9	Low	73.7	Confident	104 Å²	104	55.9 Å²	55.9	49%	0.486	30%	0.303	S	S	.	.			trans	-71.3	42.5	-172.1	-80.8	-164.7	-174.2	0	0	113.4	V95 S99 L100 F101	V95-E97 PolarHBondContact O-N 3.21Å; E97-S99 PolarHBondContact O-N 3.35Å; E97-L100 HydrophobicContact CB-CB 4.03Å; E97-L100 HydrophobicContact CG-CB 4.23Å; E97-L100 HydrophobicContact CG-CD1 4.18Å; E97-L100 PolarHBondContact O-N 3.22Å; E97-F101 HydrophobicContact CB-CD2 4.23Å; E97-F101 HydrophobicContact CB-CE2 3.92Å; E97-F101 HydrophobicContact CB-CZ 4.08Å; E97-F101 WeakPolarHBondContact O-CD2 3.49Å; E97-F101 WeakPolarHBondContact O-CE2 3.44Å; E97-F101 PolarHBondContact O-N 3.39Å
98	Y	53.2	Low	73.8	Confident	28 Å²	28	57.4 Å²	57.4	11%	0.11	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-31.6	-179.1	-61.5	-61.8	0	0	0	113.2	V92 A96 P105 A184	V92-Y98 HydrophobicContact CG1-CE2 3.58Å; V92-Y98 WeakPolarHBondContact CG1-OH 3.17Å; A96-Y98 HydrophobicContact CB-CD2 3.8Å; A96-Y98 HydrophobicContact CB-CE1 4.34Å; A96-Y98 HydrophobicContact CB-CE2 3.33Å; A96-Y98 WeakPolarHBondContact O-CD2 3.17Å; A96-Y98 PolarHBondContact O-N 3.34Å; Y98-P105 HydrophobicContact CD1-CG 4.48Å; Y98-P105 WeakPolarHBondContact O-CD 3.4Å; Y98-A184 HydrophobicContact CD1-CB 3.56Å; Y98-A184 HydrophobicContact CE1-CB 3.48Å; Y98-A184 VanDerWaalsContact CE1-CB 3.48Å
99	S	42	Very low	73.8	Confident	68 Å²	68	57.6 Å²	57.6	48%	0.476	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-15.8	177.8	-48.3	0	0	0	0	115	E97	E97-S99 PolarHBondContact O-N 3.35Å
100	L	40.8	Very low	73.8	Confident	127 Å²	127	65.1 Å²	65.1	67%	0.665	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-12.6	-172.3	-61.3	174.2	0	0	0	113.5	E97	E97-L100 HydrophobicContact CB-CB 4.03Å; E97-L100 HydrophobicContact CG-CB 4.23Å; E97-L100 HydrophobicContact CG-CD1 4.18Å; E97-L100 PolarHBondContact O-N 3.22Å
101	F	48.5	Very low	73.8	Confident	102 Å²	102	67.6 Å²	67.6	45%	0.447	37%	0.372	S	S	.	.	S	Bend	trans	-57.7	137.7	169.4	-71.8	-66	0	0	0	110.9	E97 N103 S104	E97-F101 HydrophobicContact CB-CD2 4.23Å; E97-F101 HydrophobicContact CB-CE2 3.92Å; E97-F101 HydrophobicContact CB-CZ 4.08Å; E97-F101 WeakPolarHBondContact O-CD2 3.49Å; E97-F101 WeakPolarHBondContact O-CE2 3.44Å; E97-F101 PolarHBondContact O-N 3.39Å; F101-N103 PolarHBondContact O-N 3.31Å; F101-S104 PolarHBondContact O-N 3.01Å
102	P	41.9	Very low	74	Confident	116 Å²	116	67.2 Å²	67.2	75%	0.753	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	120.3	167.6	-9.1	15.3	0	0	0	108.5
103	N	54.4	Low	74.3	Confident	158 Å²	158	67.8 Å²	67.8	85%	0.845	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.3	-5.2	-178.1	-51	-35.1	0	0	0	118.7	F101	F101-N103 PolarHBondContact O-N 3.31Å
104	S	67.2	Low	74.6	Confident	40 Å²	40	67.3 Å²	67.3	28%	0.28	37%	0.367	S	S	.	.			trans	38.4	82.3	177.5	-57.7	0	0	0	0	113.1	F101 K106	F101-S104 PolarHBondContact O-N 3.01Å; S104-K106 PolarHBondContact O-N 3.25Å
105	P	79.4	Confident	75.2	Confident	33 Å²	33	70.1 Å²	70.1	21%	0.214	38%	0.376	C	S	.	.			trans	-49.9	113.1	-169.2	19.8	-33.3	0	0	0	111.5	Y98 A184 P185 G224	Y98-P105 HydrophobicContact CD1-CG 4.48Å; Y98-P105 WeakPolarHBondContact O-CD 3.4Å; P105-A184 HydrophobicContact CB-CB 4.06Å; P105-A184 HydrophobicContact CG-CB 3.86Å; P105-P185 WeakPolarHBondContact O-CD 3.42Å; P105-P185 WeakPolarHBondContact O-CG 3.47Å; P105-G224 WeakPolarHBondContact O-CA 3.3Å
106	K	91.4	Very high	76.4	Confident	99 Å²	99	69.2 Å²	69.2	43%	0.43	37%	0.37	S	S	.	.			trans	-145.1	153.1	-177.6	70.7	172.6	176.7	178.4	0	110.9	S104 T108 L260 Y261	S104-K106 PolarHBondContact O-N 3.25Å; K106-T108 PolarHBondContact O-N 3.38Å; K106-L260 WeakPolarHBondContact CD-O 3.15Å; K106-L260 PolarHBondContact NZ-O 3.16Å; K106-Y261 WeakPolarHBondContact CA-OH 3.5Å; K106-Y261 HydrophobicContact CB-CE1 3.83Å; K106-Y261 HydrophobicContact CD-CE1 4.4Å; K106-Y261 HydrophobicContact CG-CE1 4.5Å
107	W	95.4	Very high	78.2	Confident	32 Å²	32	71.6 Å²	71.6	12%	0.121	38%	0.383	C	S	.	.			trans	-69.1	128.7	171.6	-60.2	110.1	0	0	0	110.8	V112 D156 I157 P185 S222 Y261	W107-V112 HydrophobicContact CB-CG2 3.75Å; W107-V112 HydrophobicContact CD2-CG1 4.41Å; W107-V112 HydrophobicContact CD2-CG2 4.3Å; W107-V112 HydrophobicContact CG-CG1 4.4Å; W107-V112 HydrophobicContact CG-CG2 3.62Å; W107-D156 HydrophobicContact CE3-CB 4.47Å; W107-D156 HydrophobicContact CH2-CB 3.81Å; W107-D156 VanDerWaalsContact CH2-O 3.29Å; W107-D156 WeakPolarHBondContact CH2-O 3.49Å; W107-D156 HydrophobicContact CZ2-CB 4.1Å; W107-D156 WeakPolarHBondContact CZ2-O 3.22Å; W107-D156 HydrophobicContact CZ3-CB 4Å; W107-I157 HydrophobicContact CZ2-CG1 4.14Å; W107-P185 HydrophobicContact CD2-CB 3.93Å; W107-P185 HydrophobicContact CE3-CB 4.4Å; W107-P185 HydrophobicContact CG-CB 4.27Å; W107-P185 HydrophobicContact CH2-CB 4.49Å; W107-P185 HydrophobicContact CZ2-CB 4.03Å; W107-S222 PolarHBondContact NE1-O 3.17Å; W107-Y261 HydrophobicContact CB-CE1 4.34Å; W107-Y261 PolarHBondContact N-OH 2.87Å; W107-Y261 VanDerWaalsContact N-OH 3.15Å; W107-Y261 WeakPolarHBondContact O-CE1 3.43Å
108	T	93.4	Very high	80.2	Confident	141 Å²	141	68.6 Å²	68.6	87%	0.865	37%	0.373	S	S	*	.			trans	-89.4	-25.5	176.1	54.7	0	0	0	0	112.1	K106	K106-T108 PolarHBondContact O-N 3.38Å
109	S	93.7	Very high	82.3	Confident	59 Å²	59	70 Å²	70	41%	0.413	38%	0.379	S	S	.	.	S	Bend	trans	-70.7	142.8	171.7	177.8	0	0	0	0	110.9	V111 L145	S109-V111 VanDerWaalsContact C-N 3.26Å; S109-V111 WeakPolarHBondContact CB-O 3.42Å; S109-V111 PolarHBondContact OG-N 2.86Å; S109-V111 VanDerWaalsContact OG-N 3.09Å; S109-V111 PolarHBondContact OG-O 3.46Å; S109-L145 VanDerWaalsContact O-CD2 3.24Å; S109-L145 WeakPolarHBondContact O-CD2 3.49Å
110	K	94.6	Very high	85	Confident	158 Å²	158	66.9 Å²	66.9	69%	0.687	36%	0.357	S	S	*	.	S	Bend	trans	-73.8	-19.5	170.8	-64.7	-172.1	-176.6	-178.8	0	112.9	L145 H146	K110-L145 CarbonylContact O-C 3.52Å; K110-L145 WeakPolarHBondContact O-CA 3.44Å; K110-H146 PolarHBondContact O-N 2.56Å
111	V	98.1	Very high	87.7	Confident	52 Å²	52	72 Å²	72	32%	0.315	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.3	177.2	-179.4	0	0	0	0	108.1	S109 H146 R148	S109-V111 VanDerWaalsContact C-N 3.26Å; S109-V111 WeakPolarHBondContact CB-O 3.42Å; S109-V111 PolarHBondContact OG-N 2.86Å; S109-V111 VanDerWaalsContact OG-N 3.09Å; S109-V111 PolarHBondContact OG-O 3.46Å; V111-H146 CarbonylContact C-O 3.38Å; V111-H146 VanDerWaalsContact CA-O 3.29Å; V111-H146 WeakPolarHBondContact CA-O 3.18Å; V111-H146 HydrophobicContact CG2-CB 4.39Å; V111-R148 HydrophobicContact CG1-CB 4.12Å
112	V	98.6	Very high	90.1	Very high	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	122.7	173.1	-178.5	0	0	0	0	107.5	W107 L145 H146 F147 R148 D156 I157	W107-V112 HydrophobicContact CB-CG2 3.75Å; W107-V112 HydrophobicContact CD2-CG1 4.41Å; W107-V112 HydrophobicContact CD2-CG2 4.3Å; W107-V112 HydrophobicContact CG-CG1 4.4Å; W107-V112 HydrophobicContact CG-CG2 3.62Å; V112-L145 HydrophobicContact CG2-CD1 4.02Å; V112-H146 PolarHBondContact N-O 2.68Å; V112-F147 HydrophobicContact CB-CD1 3.85Å; V112-F147 HydrophobicContact CB-CE1 3.85Å; V112-F147 HydrophobicContact CG1-CD1 4.23Å; V112-F147 HydrophobicContact CG1-CE1 4.15Å; V112-F147 HydrophobicContact CG2-CE1 4.34Å; V112-F147 VanDerWaalsContact O-CA 3.31Å; V112-F147 WeakPolarHBondContact O-CA 3.34Å; V112-R148 PolarHBondContact O-N 3.27Å; V112-D156 HydrophobicContact CG1-CB 3.88Å; V112-I157 HydrophobicContact CG1-CD1 3.64Å; V112-I157 HydrophobicContact CG1-CG1 4.03Å
113	T	98.7	Very high	92.7	Very high	18 Å²	18	66 Å²	66	11%	0.11	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	144.9	177.8	57.6	0	0	0	0	110.7	R148 V150 A155 D156 I157	T113-R148 VanDerWaalsContact CA-O 3.23Å; T113-R148 WeakPolarHBondContact CA-O 3.47Å; T113-V150 HydrophobicContact CG2-CG1 3.99Å; T113-A155 WeakPolarHBondContact OG1-CA 3.33Å; T113-D156 WeakPolarHBondContact CB-OD2 2.89Å; T113-D156 PolarHBondContact N-OD2 3.09Å; T113-D156 WeakPolarHBondContact O-CB 3.44Å; T113-D156 PolarHBondContact O-N 3.41Å; T113-D156 PolarHBondContact OG1-N 3.11Å; T113-D156 PolarHBondContact OG1-OD2 2.99Å; T113-I157 PolarHBondContact O-N 2.77Å
114	Y	98.9	Very high	94.8	Very high	13 Å²	13	61.7 Å²	61.7	5%	0.051	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	152.3	174.1	71.3	-83.8	0	0	0	111.4	V132 L136 F147 R148 K149 V150 I157 I159	Y114-V132 HydrophobicContact CD2-CG1 3.85Å; Y114-V132 HydrophobicContact CE2-CG1 3.66Å; Y114-L136 HydrophobicContact CD1-CD1 3.26Å; Y114-L136 HydrophobicContact CD2-CD1 3.8Å; Y114-L136 HydrophobicContact CE1-CD1 3.41Å; Y114-L136 VanDerWaalsContact CE1-CD1 3.41Å; Y114-L136 HydrophobicContact CE2-CD1 3.96Å; Y114-L136 HydrophobicContact CG-CD1 3.44Å; Y114-L136 VanDerWaalsContact CG-CD1 3.44Å; Y114-F147 HydrophobicContact CD1-CB 4.25Å; Y114-F147 HydrophobicContact CE1-CB 4.15Å; Y114-R148 PolarHBondContact N-O 2.83Å; Y114-K149 HydrophobicContact CD2-CG 4.42Å; Y114-K149 HydrophobicContact CE1-CB 3.91Å; Y114-K149 VanDerWaalsContact CE1-N 3.31Å; Y114-K149 HydrophobicContact CE2-CB 3.9Å; Y114-K149 HydrophobicContact CE2-CD 4.17Å; Y114-K149 HydrophobicContact CE2-CG 3.89Å; Y114-K149 CarbonylContact O-C 3.55Å; Y114-K149 WeakPolarHBondContact O-CA 3.42Å; Y114-V150 PolarHBondContact O-N 2.84Å; Y114-I157 CarbonylContact C-O 3.55Å; Y114-I157 WeakPolarHBondContact CA-O 3.27Å; Y114-I159 HydrophobicContact CD2-CD1 4.12Å
115	R	98.7	Very high	96.3	Very high	72 Å²	72	65.1 Å²	65.1	27%	0.272	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	134.1	177.3	-178.9	175.1	176.2	-155.1	-7.9	110.2	V117 V150 G153 A155 I157 M158 I159	R115-V117 HydrophobicContact CG-CG1 4.29Å; R115-V150 HydrophobicContact CB-CG2 3.97Å; R115-G153 WeakPolarHBondContact CD-O 3.46Å; R115-G153 PolarHBondContact NH1-O 3.33Å; R115-A155 HydrophobicContact CB-CB 3.8Å; R115-I157 PolarHBondContact N-O 2.82Å; R115-M158 HydrophobicContact CB-SD 3.91Å; R115-M158 WeakPolarHBondContact O-CA 3.38Å; R115-I159 PolarHBondContact O-N 3.21Å
116	I	98.8	Very high	97.2	Very high	11 Å²	11	69.8 Å²	69.8	6%	0.056	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	120.9	171	-60.9	156.4	0	0	0	107.3	S118 Y119 V128 D129 V132 I159	I116-S118 WeakPolarHBondContact CG2-O 3.47Å; I116-Y119 HydrophobicContact CB-CE1 4.38Å; I116-Y119 HydrophobicContact CB-CE2 4.37Å; I116-Y119 HydrophobicContact CD1-CE1 4.4Å; I116-Y119 HydrophobicContact CG2-CD1 4.05Å; I116-Y119 HydrophobicContact CG2-CD2 4.13Å; I116-Y119 HydrophobicContact CG2-CE1 3.63Å; I116-Y119 HydrophobicContact CG2-CE2 3.71Å; I116-Y119 HydrophobicContact CG2-CG 4.28Å; I116-Y119 VanDerWaalsContact CG2-CZ 3.44Å; I116-V128 HydrophobicContact CD1-CG1 4.38Å; I116-V128 HydrophobicContact CG2-CG1 4.45Å; I116-D129 WeakPolarHBondContact CD1-OD1 3.28Å; I116-V132 HydrophobicContact CD1-CB 4.06Å; I116-V132 HydrophobicContact CD1-CG1 4.22Å; I116-V132 HydrophobicContact CD1-CG2 3.95Å; I116-V132 HydrophobicContact CG1-CG1 4.45Å; I116-V132 HydrophobicContact CG1-CG2 4.3Å; I116-I159 CarbonylContact C-O 3.49Å; I116-I159 WeakPolarHBondContact CA-O 3.25Å; I116-I159 HydrophobicContact CG1-CB 4.14Å; I116-I159 HydrophobicContact CG1-CD1 4.42Å; I116-I159 HydrophobicContact CG1-CG2 4.34Å
117	V	97.7	Very high	97.5	Very high	73 Å²	73	65.4 Å²	65.4	44%	0.442	32%	0.324	S	S	.	.			trans	-100.9	-28.5	-173.1	-67.5	0	0	0	0	113.4	R115 M158 I159	R115-V117 HydrophobicContact CG-CG1 4.29Å; V117-M158 HydrophobicContact CG1-CB 4.43Å; V117-M158 HydrophobicContact CG1-CE 3.35Å; V117-M158 HydrophobicContact CG1-SD 4.24Å; V117-I159 VanDerWaalsContact CG2-O 3.3Å; V117-I159 WeakPolarHBondContact CG2-O 3.2Å; V117-I159 PolarHBondContact N-O 3.18Å
118	S	97.9	Very high	97.7	Very high	40 Å²	40	63.9 Å²	63.9	28%	0.28	32%	0.318	S	S	.	.			trans	-139.3	164.1	171	56.9	0	0	0	0	109.7	I116 G160 F161	I116-S118 WeakPolarHBondContact CG2-O 3.47Å; S118-G160 WeakPolarHBondContact OG-CA 3.36Å; S118-F161 WeakPolarHBondContact O-CD2 3.39Å; S118-F161 PolarHBondContact OG-N 3.27Å; S118-F161 PolarHBondContact OG-O 3.13Å
119	Y	98.6	Very high	97.9	Very high	58 Å²	58	59.2 Å²	59.2	23%	0.227	29%	0.288	C	S	.	.			trans	-133.3	141.1	-176.8	-70.9	-93.4	0	0	0	109.2	I116 H125 V128 D129	I116-Y119 HydrophobicContact CB-CE1 4.38Å; I116-Y119 HydrophobicContact CB-CE2 4.37Å; I116-Y119 HydrophobicContact CD1-CE1 4.4Å; I116-Y119 HydrophobicContact CG2-CD1 4.05Å; I116-Y119 HydrophobicContact CG2-CD2 4.13Å; I116-Y119 HydrophobicContact CG2-CE1 3.63Å; I116-Y119 HydrophobicContact CG2-CE2 3.71Å; I116-Y119 HydrophobicContact CG2-CG 4.28Å; I116-Y119 VanDerWaalsContact CG2-CZ 3.44Å; Y119-H125 VanDerWaalsContact CB-CD2 3.42Å; Y119-H125 WeakPolarHBondContact CB-CD2 3.43Å; Y119-H125 WeakPolarHBondContact CB-NE2 3.23Å; Y119-H125 HydrophobicContact CD1-CB 3.77Å; Y119-H125 AromaticContact CD1-CD2 3.78Å; Y119-H125 AromaticContact CD1-CG 3.71Å; Y119-H125 AromaticContact CD2-CE1 3.88Å; Y119-H125 AromaticContact CD2-ND1 3.84Å; Y119-H125 HydrophobicContact CE1-CB 3.77Å; Y119-H125 HydrophobicContact CG-CB 4.25Å; Y119-H125 AromaticContact CG-CD2 3.51Å; Y119-H125 AromaticContact CG-CG 3.67Å; Y119-H125 AromaticContact CG-ND1 3.98Å; Y119-H125 AromaticContact CG-NE2 3.78Å; Y119-V128 HydrophobicContact CD1-CB 3.71Å; Y119-V128 HydrophobicContact CD1-CG1 3.76Å; Y119-V128 HydrophobicContact CD1-CG2 4.07Å; Y119-V128 HydrophobicContact CE1-CB 3.92Å; Y119-V128 HydrophobicContact CE1-CG1 3.91Å; Y119-D129 WeakPolarHBondContact CE1-OD1 3.18Å; Y119-D129 PolarHBondContact OH-OD1 3.48Å
120	T	98.4	Very high	98.1	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.012	29%	0.293	C	S	.	.			trans	-66.6	151.7	170.5	-178.1	0	0	0	0	112.1	D122 L123 V128 F161 E197 W201	T120-D122 VanDerWaalsContact C-N 3.29Å; T120-D122 HydrophobicContact CG2-CB 4.37Å; T120-D122 PolarHBondContact OG1-N 2.85Å; T120-L123 HydrophobicContact CG2-CB 4.02Å; T120-L123 HydrophobicContact CG2-CG 4.44Å; T120-V128 HydrophobicContact CG2-CG2 4.15Å; T120-F161 HydrophobicContact CG2-CD1 4.25Å; T120-F161 HydrophobicContact CG2-CE1 3.73Å; T120-F161 HydrophobicContact CG2-CZ 3.87Å; T120-E197 WeakPolarHBondContact CA-OE1 3.41Å; T120-E197 WeakPolarHBondContact CA-OE2 2.98Å; T120-E197 WeakPolarHBondContact CB-OE2 3.48Å; T120-E197 PolarHBondContact OG1-OE1 3.27Å; T120-E197 PolarHBondContact OG1-OE2 3Å; T120-W201 HydrophobicContact CG2-CB 4.21Å
121	R	97.8	Very high	98.3	Very high	235 Å²	235	55.8 Å²	55.8	89%	0.887	26%	0.262	S	S	*	.	S	Bend	trans	-77.5	-15.3	171.5	-64.8	-177.6	-179.6	179.6	1.6	113.4	L123 E197	R121-L123 VanDerWaalsContact C-N 3.34Å; R121-E197 PolarHBondContact N-OE1 3.03Å; R121-E197 VanDerWaalsContact N-OE1 3.13Å
122	D	97.9	Very high	98.3	Very high	76 Å²	76	53.3 Å²	53.3	41%	0.406	25%	0.248	S	C	.	.	S	Bend	trans	-75.4	-24.7	-175.6	-64.3	-26.1	0	0	0	113.2	T120 R200 W201	T120-D122 VanDerWaalsContact C-N 3.29Å; T120-D122 HydrophobicContact CG2-CB 4.37Å; T120-D122 PolarHBondContact OG1-N 2.85Å; D122-R200 WeakPolarHBondContact OD2-CA 3.36Å; D122-W201 HydrophobicContact CB-CB 4.31Å; D122-W201 VanDerWaalsContact CB-O 3.25Å; D122-W201 WeakPolarHBondContact CB-O 3.31Å; D122-W201 PolarHBondContact OD2-N 3.37Å
123	L	97.8	Very high	98.3	Very high	15 Å²	15	56 Å²	56	8%	0.079	27%	0.266	C	S	.	.	S	Bend	trans	-129.2	140.1	-176.3	-66.6	173.7	0	0	0	111	T120 R121 T127 V128 L131 W201 D203 F211	T120-L123 HydrophobicContact CG2-CB 4.02Å; T120-L123 HydrophobicContact CG2-CG 4.44Å; R121-L123 VanDerWaalsContact C-N 3.34Å; L123-T127 HydrophobicContact CB-CG2 4.48Å; L123-T127 HydrophobicContact CD1-CG2 4.48Å; L123-T127 HydrophobicContact CD2-CG2 4.18Å; L123-V128 HydrophobicContact CB-CG2 3.91Å; L123-L131 HydrophobicContact CD1-CD1 4.45Å; L123-W201 HydrophobicContact CD1-CB 4.29Å; L123-D203 HydrophobicContact CD2-CB 4.31Å; L123-F211 HydrophobicContact CD1-CB 4.11Å; L123-F211 HydrophobicContact CD1-CG 4.48Å
124	P	98.3	Very high	98.3	Very high	69 Å²	69	60 Å²	60	45%	0.448	28%	0.282	S	S	.	.			trans	-57	145.4	170.4	-24.6	34.1	0	0	0	111.8	F126 T127 V128	P124-F126 HydrophobicContact CB-CD1 3.44Å; P124-F126 VanDerWaalsContact CB-CD1 3.44Å; P124-F126 HydrophobicContact CB-CE1 3.29Å; P124-F126 HydrophobicContact CB-CG 4.44Å; P124-F126 HydrophobicContact CB-CZ 4.21Å; P124-F126 HydrophobicContact CG-CD1 4.4Å; P124-F126 HydrophobicContact CG-CE1 3.77Å; P124-F126 HydrophobicContact CG-CZ 4.38Å; P124-F126 PolarHBondContact O-N 3.12Å; P124-F126 VanDerWaalsContact O-N 3.13Å; P124-T127 WeakPolarHBondContact O-CA 3.25Å; P124-T127 VanDerWaalsContact O-CB 3.32Å; P124-T127 WeakPolarHBondContact O-CB 3.38Å; P124-T127 PolarHBondContact O-N 2.99Å; P124-V128 PolarHBondContact O-N 3.27Å
125	H	98.4	Very high	98.2	Very high	112 Å²	112	59.4 Å²	59.4	52%	0.519	28%	0.28	S	S	.	.	H	α-helix	trans	-54.5	-39.2	-178.8	-66.8	-168.9	0	0	0	112.7	Y119 T127 V128 D129	Y119-H125 VanDerWaalsContact CB-CD2 3.42Å; Y119-H125 WeakPolarHBondContact CB-CD2 3.43Å; Y119-H125 WeakPolarHBondContact CB-NE2 3.23Å; Y119-H125 HydrophobicContact CD1-CB 3.77Å; Y119-H125 AromaticContact CD1-CD2 3.78Å; Y119-H125 AromaticContact CD1-CG 3.71Å; Y119-H125 AromaticContact CD2-CE1 3.88Å; Y119-H125 AromaticContact CD2-ND1 3.84Å; Y119-H125 HydrophobicContact CE1-CB 3.77Å; Y119-H125 HydrophobicContact CG-CB 4.25Å; Y119-H125 AromaticContact CG-CD2 3.51Å; Y119-H125 AromaticContact CG-CG 3.67Å; Y119-H125 AromaticContact CG-ND1 3.98Å; Y119-H125 AromaticContact CG-NE2 3.78Å; H125-T127 PolarHBondContact O-N 3.11Å; H125-V128 PolarHBondContact O-N 2.77Å; H125-D129 WeakPolarHBondContact O-CB 3.36Å; H125-D129 VanDerWaalsContact O-CG 3.29Å; H125-D129 PolarHBondContact O-N 3.37Å
126	F	98.1	Very high	98.2	Very high	131 Å²	131	56 Å²	56	58%	0.575	27%	0.267	S	S	*	.	H	α-helix	trans	-63.4	-31.3	177.6	82.3	-95.5	0	0	0	112.5	P124 R130	P124-F126 HydrophobicContact CB-CD1 3.44Å; P124-F126 VanDerWaalsContact CB-CD1 3.44Å; P124-F126 HydrophobicContact CB-CE1 3.29Å; P124-F126 HydrophobicContact CB-CG 4.44Å; P124-F126 HydrophobicContact CB-CZ 4.21Å; P124-F126 HydrophobicContact CG-CD1 4.4Å; P124-F126 HydrophobicContact CG-CE1 3.77Å; P124-F126 HydrophobicContact CG-CZ 4.38Å; P124-F126 PolarHBondContact O-N 3.12Å; P124-F126 VanDerWaalsContact O-N 3.13Å; F126-R130 VanDerWaalsContact O-CB 3.27Å; F126-R130 WeakPolarHBondContact O-CB 3.31Å; F126-R130 PolarHBondContact O-N 3.33Å
127	T	98.2	Very high	98.2	Very high	6 Å²	6	59.4 Å²	59.4	4%	0.037	29%	0.285	C	S	.	.	H	α-helix	trans	-71.5	-47.9	177	-64.5	0	0	0	0	109.8	L123 P124 H125 D129 R130 L131 D203	L123-T127 HydrophobicContact CB-CG2 4.48Å; L123-T127 HydrophobicContact CD1-CG2 4.48Å; L123-T127 HydrophobicContact CD2-CG2 4.18Å; P124-T127 WeakPolarHBondContact O-CA 3.25Å; P124-T127 VanDerWaalsContact O-CB 3.32Å; P124-T127 WeakPolarHBondContact O-CB 3.38Å; P124-T127 PolarHBondContact O-N 2.99Å; H125-T127 PolarHBondContact O-N 3.11Å; T127-D129 VanDerWaalsContact C-N 3.34Å; T127-D129 PolarHBondContact O-N 2.78Å; T127-R130 PolarHBondContact O-N 2.91Å; T127-L131 HydrophobicContact CG2-CD1 3.94Å; T127-L131 HydrophobicContact CG2-CG 4.26Å; T127-L131 WeakPolarHBondContact O-CB 3.27Å; T127-L131 VanDerWaalsContact O-CG 3.28Å; T127-L131 WeakPolarHBondContact O-CG 3.49Å; T127-L131 PolarHBondContact O-N 2.78Å; T127-D203 HydrophobicContact CG2-CB 4.13Å
128	V	98.6	Very high	98.1	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.2	-49.7	175	176.5	0	0	0	0	110.5	I116 Y119 T120 L123 P124 H125 R130 L131 V132 F161 F211	I116-V128 HydrophobicContact CD1-CG1 4.38Å; I116-V128 HydrophobicContact CG2-CG1 4.45Å; Y119-V128 HydrophobicContact CD1-CB 3.71Å; Y119-V128 HydrophobicContact CD1-CG1 3.76Å; Y119-V128 HydrophobicContact CD1-CG2 4.07Å; Y119-V128 HydrophobicContact CE1-CB 3.92Å; Y119-V128 HydrophobicContact CE1-CG1 3.91Å; T120-V128 HydrophobicContact CG2-CG2 4.15Å; L123-V128 HydrophobicContact CB-CG2 3.91Å; P124-V128 PolarHBondContact O-N 3.27Å; H125-V128 PolarHBondContact O-N 2.77Å; V128-R130 VanDerWaalsContact C-N 3.32Å; V128-R130 PolarHBondContact O-N 3.38Å; V128-L131 PolarHBondContact O-N 3.19Å; V128-L131 VanDerWaalsContact O-N 3.16Å; V128-V132 HydrophobicContact CG1-CG2 4.4Å; V128-V132 WeakPolarHBondContact O-CG2 3.3Å; V128-V132 PolarHBondContact O-N 3.36Å; V128-F161 HydrophobicContact CG1-CE2 3.88Å; V128-F161 HydrophobicContact CG1-CZ 4.11Å; V128-F161 HydrophobicContact CG2-CZ 4.44Å; V128-F211 HydrophobicContact CB-CE1 4.49Å; V128-F211 HydrophobicContact CG1-CE1 3.88Å; V128-F211 HydrophobicContact CG1-CZ 4.12Å
129	D	98.6	Very high	98.2	Very high	44 Å²	44	55.1 Å²	55.1	24%	0.235	26%	0.256	C	S	.	.	H	α-helix	trans	-53.8	-47.8	176.8	-78.6	-18.5	0	0	0	112.6	I116 Y119 H125 T127 S133 K149	I116-D129 WeakPolarHBondContact CD1-OD1 3.28Å; Y119-D129 WeakPolarHBondContact CE1-OD1 3.18Å; Y119-D129 PolarHBondContact OH-OD1 3.48Å; H125-D129 WeakPolarHBondContact O-CB 3.36Å; H125-D129 VanDerWaalsContact O-CG 3.29Å; H125-D129 PolarHBondContact O-N 3.37Å; T127-D129 VanDerWaalsContact C-N 3.34Å; T127-D129 PolarHBondContact O-N 2.78Å; D129-S133 WeakPolarHBondContact O-CB 3.1Å; D129-S133 PolarHBondContact O-N 2.97Å; D129-K149 IonicContact OD1-NZ 2.69Å; D129-K149 PolarHBondContact OD1-NZ 3.12Å; D129-K149 IonicContact OD2-NZ 2.91Å; D129-K149 PolarHBondContact OD2-NZ 3.15Å
130	R	98.3	Very high	98.1	Very high	134 Å²	134	52.7 Å²	52.7	51%	0.506	25%	0.248	S	C	.	.	H	α-helix	trans	-64.5	-41.7	179.5	-178.9	-178.8	65	-167.1	-0.2	111.6	F126 T127 V128 K134	F126-R130 VanDerWaalsContact O-CB 3.27Å; F126-R130 WeakPolarHBondContact O-CB 3.31Å; F126-R130 PolarHBondContact O-N 3.33Å; T127-R130 PolarHBondContact O-N 2.91Å; V128-R130 VanDerWaalsContact C-N 3.32Å; V128-R130 PolarHBondContact O-N 3.38Å; R130-K134 VanDerWaalsContact O-CB 3.27Å; R130-K134 WeakPolarHBondContact O-CB 3.5Å; R130-K134 PolarHBondContact O-N 3.08Å
131	L	97.8	Very high	98	Very high	10 Å²	10	58.6 Å²	58.6	5%	0.052	27%	0.274	C	S	.	.	H	α-helix	trans	-71.2	-42.7	-178	-67.5	-177.9	0	0	0	111.9	L123 T127 V128 K134 A135 D203 F211 L212	L123-L131 HydrophobicContact CD1-CD1 4.45Å; T127-L131 HydrophobicContact CG2-CD1 3.94Å; T127-L131 HydrophobicContact CG2-CG 4.26Å; T127-L131 WeakPolarHBondContact O-CB 3.27Å; T127-L131 VanDerWaalsContact O-CG 3.28Å; T127-L131 WeakPolarHBondContact O-CG 3.49Å; T127-L131 PolarHBondContact O-N 2.78Å; V128-L131 PolarHBondContact O-N 3.19Å; V128-L131 VanDerWaalsContact O-N 3.16Å; L131-K134 WeakPolarHBondContact O-CB 3.45Å; L131-K134 PolarHBondContact O-N 2.9Å; L131-A135 WeakPolarHBondContact O-CB 3.4Å; L131-A135 PolarHBondContact O-N 3.3Å; L131-D203 HydrophobicContact CD1-CB 4.03Å; L131-F211 HydrophobicContact CB-CD1 3.84Å; L131-F211 HydrophobicContact CB-CE1 4.21Å; L131-F211 HydrophobicContact CD1-CB 4.22Å; L131-F211 HydrophobicContact CD1-CD1 3.85Å; L131-F211 HydrophobicContact CG-CD1 4.5Å; L131-L212 HydrophobicContact CD2-CB 4.16Å; L131-L212 HydrophobicContact CD2-CD1 4.35Å
132	V	98.8	Very high	98	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-59.2	-48.7	171.7	168.8	0	0	0	0	110.7	Y114 I116 V128 K134 A135 L136 I159 F211	Y114-V132 HydrophobicContact CD2-CG1 3.85Å; Y114-V132 HydrophobicContact CE2-CG1 3.66Å; I116-V132 HydrophobicContact CD1-CB 4.06Å; I116-V132 HydrophobicContact CD1-CG1 4.22Å; I116-V132 HydrophobicContact CD1-CG2 3.95Å; I116-V132 HydrophobicContact CG1-CG1 4.45Å; I116-V132 HydrophobicContact CG1-CG2 4.3Å; V128-V132 HydrophobicContact CG1-CG2 4.4Å; V128-V132 WeakPolarHBondContact O-CG2 3.3Å; V128-V132 PolarHBondContact O-N 3.36Å; V132-K134 PolarHBondContact O-N 2.83Å; V132-A135 PolarHBondContact O-N 2.95Å; V132-L136 HydrophobicContact CG1-CD1 4.16Å; V132-L136 PolarHBondContact O-N 2.93Å; V132-I159 HydrophobicContact CG1-CD1 3.41Å; V132-I159 VanDerWaalsContact CG1-CD1 3.41Å; V132-I159 HydrophobicContact CG2-CD1 4.33Å; V132-I159 HydrophobicContact CG2-CG2 4.38Å; V132-F211 HydrophobicContact CG2-CE1 3.91Å; V132-F211 HydrophobicContact CG2-CZ 4.06Å
133	S	98.5	Very high	98	Very high	55 Å²	55	46.7 Å²	46.7	39%	0.385	23%	0.226	S	C	.	.	H	α-helix	trans	-62.1	-34.9	177.8	-176.5	0	0	0	0	112	D129 N137	D129-S133 WeakPolarHBondContact O-CB 3.1Å; D129-S133 PolarHBondContact O-N 2.97Å; S133-N137 WeakPolarHBondContact O-CB 3.28Å; S133-N137 PolarHBondContact O-N 2.77Å
134	K	97.9	Very high	97.9	Very high	103 Å²	103	48.2 Å²	48.2	45%	0.448	24%	0.237	S	C	.	.	H	α-helix	trans	-67.8	-46.1	176.6	-175	178	176	-170.2	0	111	R130 L131 V132 N137 M138 L212	R130-K134 VanDerWaalsContact O-CB 3.27Å; R130-K134 WeakPolarHBondContact O-CB 3.5Å; R130-K134 PolarHBondContact O-N 3.08Å; L131-K134 WeakPolarHBondContact O-CB 3.45Å; L131-K134 PolarHBondContact O-N 2.9Å; V132-K134 PolarHBondContact O-N 2.83Å; K134-N137 PolarHBondContact O-N 3.08Å; K134-M138 WeakPolarHBondContact O-CG 3.42Å; K134-M138 PolarHBondContact O-N 3.45Å; K134-L212 HydrophobicContact CB-CD1 3.99Å; K134-L212 HydrophobicContact CD-CD1 3.94Å; K134-L212 HydrophobicContact CD-CD2 3.74Å; K134-L212 HydrophobicContact CG-CD1 3.96Å
135	A	98	Very high	97.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.9	-52.3	176.6	0	0	0	0	0	112	L131 V132 N137 M138 W139 L212 A215 T216 L219	L131-A135 WeakPolarHBondContact O-CB 3.4Å; L131-A135 PolarHBondContact O-N 3.3Å; V132-A135 PolarHBondContact O-N 2.95Å; A135-N137 VanDerWaalsContact C-N 3.29Å; A135-N137 PolarHBondContact O-N 3.16Å; A135-M138 WeakPolarHBondContact O-CB 3.13Å; A135-M138 PolarHBondContact O-N 3.13Å; A135-M138 VanDerWaalsContact O-N 3.09Å; A135-W139 PolarHBondContact O-N 3.41Å; A135-L212 HydrophobicContact CB-CD1 4.25Å; A135-A215 HydrophobicContact CB-CB 4.2Å; A135-T216 VanDerWaalsContact CB-OG1 3.28Å; A135-T216 WeakPolarHBondContact CB-OG1 3.06Å; A135-L219 HydrophobicContact CB-CD1 3.88Å
136	L	98.6	Very high	97.8	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-60.2	-38.4	176.2	-72.4	174.2	0	0	0	112.6	Y114 V132 M138 W139 G140 F147 L219	Y114-L136 HydrophobicContact CD1-CD1 3.26Å; Y114-L136 HydrophobicContact CD2-CD1 3.8Å; Y114-L136 HydrophobicContact CE1-CD1 3.41Å; Y114-L136 VanDerWaalsContact CE1-CD1 3.41Å; Y114-L136 HydrophobicContact CE2-CD1 3.96Å; Y114-L136 HydrophobicContact CG-CD1 3.44Å; Y114-L136 VanDerWaalsContact CG-CD1 3.44Å; V132-L136 HydrophobicContact CG1-CD1 4.16Å; V132-L136 PolarHBondContact O-N 2.93Å; L136-M138 VanDerWaalsContact C-N 3.31Å; L136-M138 PolarHBondContact O-N 3.12Å; L136-W139 PolarHBondContact O-N 3.08Å; L136-G140 PolarHBondContact O-N 3.48Å; L136-F147 HydrophobicContact CB-CB 4.09Å; L136-F147 HydrophobicContact CB-CD1 4.41Å; L136-F147 HydrophobicContact CB-CD2 3.87Å; L136-F147 HydrophobicContact CB-CE2 4.44Å; L136-F147 HydrophobicContact CB-CG 3.85Å; L136-F147 HydrophobicContact CD1-CB 4.15Å; L136-F147 HydrophobicContact CD1-CD1 4.34Å; L136-F147 HydrophobicContact CD1-CG 4.28Å; L136-F147 HydrophobicContact CD2-CD1 3.75Å; L136-F147 HydrophobicContact CD2-CD2 4.44Å; L136-F147 HydrophobicContact CD2-CE1 3.84Å; L136-F147 HydrophobicContact CD2-CG 4.06Å; L136-F147 HydrophobicContact CD2-CZ 4.23Å; L136-F147 HydrophobicContact CG-CD1 4.39Å; L136-F147 HydrophobicContact CG-CG 4.29Å; L136-F147 VanDerWaalsContact O-CD2 3.27Å; L136-F147 WeakPolarHBondContact O-CD2 3.48Å; L136-F147 WeakPolarHBondContact O-CE2 3.28Å; L136-L219 HydrophobicContact CD2-CB 4.22Å; L136-L219 HydrophobicContact CD2-CD1 3.75Å; L136-L219 HydrophobicContact CD2-CD2 4.06Å; L136-L219 HydrophobicContact CD2-CG 4.24Å; L136-L219 HydrophobicContact CG-CD1 3.73Å
137	N	97.4	Very high	97.9	Very high	82 Å²	82	40.5 Å²	40.5	44%	0.439	20%	0.196	S	C	.	.	H	α-helix	trans	-68.2	-29.6	177.1	-177.4	55.8	0	0	0	112.8	S133 K134 A135 K141	S133-N137 WeakPolarHBondContact O-CB 3.28Å; S133-N137 PolarHBondContact O-N 2.77Å; K134-N137 PolarHBondContact O-N 3.08Å; A135-N137 VanDerWaalsContact C-N 3.29Å; A135-N137 PolarHBondContact O-N 3.16Å; N137-K141 WeakPolarHBondContact ND2-CE 3.39Å; N137-K141 VanDerWaalsContact O-CG 3.28Å; N137-K141 WeakPolarHBondContact O-CG 3.49Å; N137-K141 PolarHBondContact O-N 3.43Å; N137-K141 VanDerWaalsContact O-N 3.12Å
138	M	97.2	Very high	97.9	Very high	23 Å²	23	47.3 Å²	47.3	11%	0.113	22%	0.221	C	C	.	.	H	α-helix	trans	-61.8	-48.6	173.1	-71.2	172.9	59.8	0	0	110.5	K134 A135 L136 T216 F247 L249	K134-M138 WeakPolarHBondContact O-CG 3.42Å; K134-M138 PolarHBondContact O-N 3.45Å; A135-M138 WeakPolarHBondContact O-CB 3.13Å; A135-M138 PolarHBondContact O-N 3.13Å; A135-M138 VanDerWaalsContact O-N 3.09Å; L136-M138 VanDerWaalsContact C-N 3.31Å; L136-M138 PolarHBondContact O-N 3.12Å; M138-T216 HydrophobicContact CE-CG2 4.22Å; M138-T216 HydrophobicContact SD-CG2 4.46Å; M138-F247 HydrophobicContact CE-CD1 3.76Å; M138-F247 HydrophobicContact CE-CE1 3.47Å; M138-F247 VanDerWaalsContact CE-CE1 3.47Å; M138-F247 HydrophobicContact CE-CZ 4.04Å; M138-F247 HydrophobicContact SD-CD1 3.9Å; M138-F247 HydrophobicContact SD-CE1 3.64Å; M138-L249 HydrophobicContact CB-CD1 4.43Å; M138-L249 HydrophobicContact CB-CG 4.4Å; M138-L249 HydrophobicContact CE-CD2 4.35Å; M138-L249 HydrophobicContact CE-CG 4.22Å
139	W	98.2	Very high	97.9	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-50	173.6	-65.8	116.9	0	0	0	112	A135 L136 K141 E142 I143 F147 T216 L223 M225 M235 L249 D253 I257	A135-W139 PolarHBondContact O-N 3.41Å; L136-W139 PolarHBondContact O-N 3.08Å; W139-K141 PolarHBondContact O-N 3.49Å; W139-K141 VanDerWaalsContact O-N 3.08Å; W139-E142 PolarHBondContact O-N 2.98Å; W139-I143 WeakPolarHBondContact O-CG1 3.44Å; W139-I143 PolarHBondContact O-N 2.82Å; W139-F147 HydrophobicContact CB-CE2 4.46Å; W139-T216 HydrophobicContact CZ2-CG2 4.32Å; W139-T216 WeakPolarHBondContact CZ2-O 3.12Å; W139-T216 PolarHBondContact NE1-O 3.18Å; W139-L223 HydrophobicContact CB-CD1 3.63Å; W139-L223 HydrophobicContact CD2-CD1 4.17Å; W139-L223 HydrophobicContact CG-CD1 3.64Å; W139-M225 HydrophobicContact CH2-CE 4.5Å; W139-M235 HydrophobicContact CH2-CG 4.13Å; W139-M235 HydrophobicContact CH2-SD 4.17Å; W139-M235 HydrophobicContact CZ2-CG 4.47Å; W139-M235 HydrophobicContact CZ2-SD 3.94Å; W139-L249 HydrophobicContact CD2-CD1 4.12Å; W139-L249 HydrophobicContact CD2-CD2 4.12Å; W139-L249 HydrophobicContact CE3-CD1 3.65Å; W139-L249 HydrophobicContact CE3-CD2 4.04Å; W139-L249 HydrophobicContact CH2-CD2 3.69Å; W139-L249 HydrophobicContact CZ2-CD2 3.75Å; W139-L249 HydrophobicContact CZ3-CD1 3.94Å; W139-L249 HydrophobicContact CZ3-CD2 3.84Å; W139-D253 HydrophobicContact CH2-CB 3.93Å; W139-D253 HydrophobicContact CZ3-CB 4.09Å; W139-I257 HydrophobicContact CE3-CB 4.12Å; W139-I257 HydrophobicContact CE3-CD1 4.39Å; W139-I257 HydrophobicContact CE3-CG1 3.99Å; W139-I257 HydrophobicContact CE3-CG2 4.08Å; W139-I257 HydrophobicContact CZ3-CB 3.95Å; W139-I257 HydrophobicContact CZ3-CG1 4.28Å; W139-I257 HydrophobicContact CZ3-CG2 4.04Å
140	G	97.6	Very high	97.9	Very high	6 Å²	6	50.2 Å²	50.2	6%	0.062	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-21.2	-175.5	0	0	0	0	0	115	L136 E142 R264	L136-G140 PolarHBondContact O-N 3.48Å; G140-E142 VanDerWaalsContact C-N 3.3Å; G140-R264 PolarHBondContact O-NH1 3.24Å
141	K	97.1	Very high	97.7	Very high	127 Å²	127	48.6 Å²	48.6	55%	0.552	24%	0.239	S	C	*	.	H	α-helix	trans	-68.1	-30	172	-79.3	170.7	179.4	179.5	0	112.9	N137 W139 R264	N137-K141 WeakPolarHBondContact ND2-CE 3.39Å; N137-K141 VanDerWaalsContact O-CG 3.28Å; N137-K141 WeakPolarHBondContact O-CG 3.49Å; N137-K141 PolarHBondContact O-N 3.43Å; N137-K141 VanDerWaalsContact O-N 3.12Å; W139-K141 PolarHBondContact O-N 3.49Å; W139-K141 VanDerWaalsContact O-N 3.08Å; K141-R264 WeakPolarHBondContact O-CD 3.13Å
142	E	97.6	Very high	97.6	Very high	61 Å²	61	58 Å²	58	29%	0.285	27%	0.274	S	S	.	.	H	α-helix	trans	-93.9	-18.2	-172	-58.2	-56.8	146.6	0	0	113.6	W139 G140 L249 I254 I257 Q258 R264	W139-E142 PolarHBondContact O-N 2.98Å; G140-E142 VanDerWaalsContact C-N 3.3Å; E142-L249 HydrophobicContact CG-CD1 3.95Å; E142-I254 HydrophobicContact CG-CG1 4.12Å; E142-I257 HydrophobicContact CB-CG2 4.46Å; E142-Q258 PolarHBondContact O-NE2 3.3Å; E142-Q258 VanDerWaalsContact O-NE2 3.12Å; E142-R264 PolarHBondContact O-N 2.86Å
143	I	96.7	Very high	97.5	Very high	0 Å²	0	60 Å²	60	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	-131.2	160.8	-174.1	59	172.4	0	0	0	113.1	W139 L145 I257 Q258 Y261 R264	W139-I143 WeakPolarHBondContact O-CG1 3.44Å; W139-I143 PolarHBondContact O-N 2.82Å; I143-L145 HydrophobicContact CD1-CB 4.03Å; I143-L145 HydrophobicContact CD1-CD1 3.75Å; I143-L145 HydrophobicContact CD1-CG 3.86Å; I143-L145 HydrophobicContact CG1-CB 4.22Å; I143-L145 HydrophobicContact CG1-CG 4.38Å; I143-L145 PolarHBondContact O-N 2.9Å; I143-I257 HydrophobicContact CD1-CD1 4.32Å; I143-I257 HydrophobicContact CD1-CG1 3.87Å; I143-I257 HydrophobicContact CG2-CB 4.28Å; I143-I257 HydrophobicContact CG2-CG1 3.72Å; I143-I257 HydrophobicContact CG2-CG2 3.83Å; I143-Q258 HydrophobicContact CG2-CG 4.29Å; I143-Y261 HydrophobicContact CD1-CD2 3.8Å; I143-Y261 HydrophobicContact CD1-CE2 4.32Å; I143-Y261 HydrophobicContact CD1-CG 4.11Å; I143-Y261 HydrophobicContact CG2-CD2 4.44Å; I143-R264 PolarHBondContact O-NH1 2.67Å; I143-R264 VanDerWaalsContact O-NH1 3.14Å
144	P	96.8	Very high	97.4	Very high	46 Å²	46	63.4 Å²	63.4	30%	0.299	31%	0.313	S	S	.	.	S	Bend	trans	-79.3	29.9	-179.8	34.3	-38.7	0	0	0	114.3	Y261 G262	P144-Y261 WeakPolarHBondContact CD-O 3.47Å; P144-Y261 WeakPolarHBondContact CG-O 3.36Å; P144-G262 VanDerWaalsContact CD-O 3.31Å; P144-G262 WeakPolarHBondContact CD-O 3.27Å
145	L	97.3	Very high	97.5	Very high	7 Å²	7	59 Å²	59	4%	0.037	30%	0.296	C	S	.	.			trans	-96.4	153.9	171.6	-64.6	-172.2	0	0	0	111.5	S109 K110 V112 I143 F147 L223 Y261 R264	S109-L145 VanDerWaalsContact O-CD2 3.24Å; S109-L145 WeakPolarHBondContact O-CD2 3.49Å; K110-L145 CarbonylContact O-C 3.52Å; K110-L145 WeakPolarHBondContact O-CA 3.44Å; V112-L145 HydrophobicContact CG2-CD1 4.02Å; I143-L145 HydrophobicContact CD1-CB 4.03Å; I143-L145 HydrophobicContact CD1-CD1 3.75Å; I143-L145 HydrophobicContact CD1-CG 3.86Å; I143-L145 HydrophobicContact CG1-CB 4.22Å; I143-L145 HydrophobicContact CG1-CG 4.38Å; I143-L145 PolarHBondContact O-N 2.9Å; L145-F147 HydrophobicContact CB-CE2 4.47Å; L145-F147 HydrophobicContact CB-CZ 4.24Å; L145-F147 HydrophobicContact CD1-CZ 4.39Å; L145-L223 HydrophobicContact CD1-CD2 4.01Å; L145-Y261 HydrophobicContact CD1-CD1 3.89Å; L145-Y261 HydrophobicContact CD1-CE1 3.64Å; L145-Y261 HydrophobicContact CD1-CE2 4.4Å; L145-Y261 HydrophobicContact CD1-CG 4.37Å; L145-Y261 HydrophobicContact CD2-CD1 4.18Å; L145-Y261 HydrophobicContact CD2-CE1 4.36Å; L145-Y261 HydrophobicContact CG-CD1 4.03Å; L145-Y261 HydrophobicContact CG-CE1 4.25Å; L145-Y261 HydrophobicContact CG-CG 4.47Å; L145-R264 PolarHBondContact O-NH1 3.29Å
146	H	97.5	Very high	97.5	Very high	99 Å²	99	61.6 Å²	61.6	46%	0.458	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	129.7	173.9	-69.3	-90.9	0	0	0	109.6	K110 V111 V112 R264	K110-H146 PolarHBondContact O-N 2.56Å; V111-H146 CarbonylContact C-O 3.38Å; V111-H146 VanDerWaalsContact CA-O 3.29Å; V111-H146 WeakPolarHBondContact CA-O 3.18Å; V111-H146 HydrophobicContact CG2-CB 4.39Å; V112-H146 PolarHBondContact N-O 2.68Å; H146-R264 PolarHBondContact CE1-NH2 2.85Å
147	F	98.6	Very high	97.5	Very high	44 Å²	44	61.5 Å²	61.5	19%	0.193	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.8	-179.5	-61.2	-73.5	0	0	0	110.9	V112 Y114 L136 W139 L145 L223	V112-F147 HydrophobicContact CB-CD1 3.85Å; V112-F147 HydrophobicContact CB-CE1 3.85Å; V112-F147 HydrophobicContact CG1-CD1 4.23Å; V112-F147 HydrophobicContact CG1-CE1 4.15Å; V112-F147 HydrophobicContact CG2-CE1 4.34Å; V112-F147 VanDerWaalsContact O-CA 3.31Å; V112-F147 WeakPolarHBondContact O-CA 3.34Å; Y114-F147 HydrophobicContact CD1-CB 4.25Å; Y114-F147 HydrophobicContact CE1-CB 4.15Å; L136-F147 HydrophobicContact CB-CB 4.09Å; L136-F147 HydrophobicContact CB-CD1 4.41Å; L136-F147 HydrophobicContact CB-CD2 3.87Å; L136-F147 HydrophobicContact CB-CE2 4.44Å; L136-F147 HydrophobicContact CB-CG 3.85Å; L136-F147 HydrophobicContact CD1-CB 4.15Å; L136-F147 HydrophobicContact CD1-CD1 4.34Å; L136-F147 HydrophobicContact CD1-CG 4.28Å; L136-F147 HydrophobicContact CD2-CD1 3.75Å; L136-F147 HydrophobicContact CD2-CD2 4.44Å; L136-F147 HydrophobicContact CD2-CE1 3.84Å; L136-F147 HydrophobicContact CD2-CG 4.06Å; L136-F147 HydrophobicContact CD2-CZ 4.23Å; L136-F147 HydrophobicContact CG-CD1 4.39Å; L136-F147 HydrophobicContact CG-CG 4.29Å; L136-F147 VanDerWaalsContact O-CD2 3.27Å; L136-F147 WeakPolarHBondContact O-CD2 3.48Å; L136-F147 WeakPolarHBondContact O-CE2 3.28Å; W139-F147 HydrophobicContact CB-CE2 4.46Å; L145-F147 HydrophobicContact CB-CE2 4.47Å; L145-F147 HydrophobicContact CB-CZ 4.24Å; L145-F147 HydrophobicContact CD1-CZ 4.39Å; F147-L223 HydrophobicContact CE1-CD2 3.75Å; F147-L223 HydrophobicContact CZ-CD1 4.02Å; F147-L223 HydrophobicContact CZ-CD2 3.69Å; F147-L223 HydrophobicContact CZ-CG 4.46Å
148	R	98.5	Very high	97.6	Very high	150 Å²	150	59 Å²	59	57%	0.566	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.5	117.9	-179.9	-176.6	174.2	65	-167.2	-1.1	110.8	V111 V112 T113 Y114	V111-R148 HydrophobicContact CG1-CB 4.12Å; V112-R148 PolarHBondContact O-N 3.27Å; T113-R148 VanDerWaalsContact CA-O 3.23Å; T113-R148 WeakPolarHBondContact CA-O 3.47Å; Y114-R148 PolarHBondContact N-O 2.83Å
149	K	98.5	Very high	97.6	Very high	72 Å²	72	58 Å²	58	31%	0.313	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	134.7	171.9	-168.9	171.9	173.5	177.4	0	109.6	Y114 D129	Y114-K149 HydrophobicContact CD2-CG 4.42Å; Y114-K149 HydrophobicContact CE1-CB 3.91Å; Y114-K149 VanDerWaalsContact CE1-N 3.31Å; Y114-K149 HydrophobicContact CE2-CB 3.9Å; Y114-K149 HydrophobicContact CE2-CD 4.17Å; Y114-K149 HydrophobicContact CE2-CG 3.89Å; Y114-K149 CarbonylContact O-C 3.55Å; Y114-K149 WeakPolarHBondContact O-CA 3.42Å; D129-K149 IonicContact OD1-NZ 2.69Å; D129-K149 PolarHBondContact OD1-NZ 3.12Å; D129-K149 IonicContact OD2-NZ 2.91Å; D129-K149 PolarHBondContact OD2-NZ 3.15Å
150	V	98.3	Very high	97.7	Very high	33 Å²	33	58.2 Å²	58.2	20%	0.2	29%	0.293	C	S	.	.			trans	-116.4	149.9	166.3	-58.9	0	0	0	0	109.3	T113 Y114 R115 A155	T113-V150 HydrophobicContact CG2-CG1 3.99Å; Y114-V150 PolarHBondContact O-N 2.84Å; R115-V150 HydrophobicContact CB-CG2 3.97Å; V150-A155 HydrophobicContact CG2-CB 3.66Å
151	V	94.9	Very high	97.7	Very high	99 Å²	99	58.6 Å²	58.6	60%	0.6	29%	0.293	S	S	*	.	S	Bend	trans	-107.3	-14.2	-173.6	-62.8	0	0	0	0	113.3
152	W	95.8	Very high	97.8	Very high	208 Å²	208	53.7 Å²	53.7	79%	0.788	28%	0.276	S	S	*	.	S	Bend	trans	-140.2	163.2	177.1	60.1	65.7	0	0	0	110.6
153	G	96.5	Very high	97.8	Very high	42 Å²	42	57.5 Å²	57.5	43%	0.433	29%	0.288	S	S	.	.	S	Bend	trans	70.9	-169.5	179.8	0	0	0	0	0	113.8	R115	R115-G153 WeakPolarHBondContact CD-O 3.46Å; R115-G153 PolarHBondContact NH1-O 3.33Å
154	T	97.6	Very high	97.8	Very high	127 Å²	127	58.7 Å²	58.7	78%	0.779	30%	0.3	S	S	*	.			trans	-89.7	137.6	178.9	-52.6	0	0	0	0	110
155	A	98.3	Very high	97.9	Very high	11 Å²	11	61 Å²	61	9%	0.091	32%	0.323	C	S	.	.			trans	-108	171.4	174.4	0	0	0	0	0	110.3	T113 R115 V150 I157 M158	T113-A155 WeakPolarHBondContact OG1-CA 3.33Å; R115-A155 HydrophobicContact CB-CB 3.8Å; V150-A155 HydrophobicContact CG2-CB 3.66Å; A155-I157 VanDerWaalsContact C-N 3.28Å; A155-M158 HydrophobicContact CB-SD 3.84Å; A155-M158 PolarHBondContact N-SD 3.01Å; A155-M158 VanDerWaalsContact N-SD 3.38Å
156	D	98.5	Very high	97.9	Very high	55 Å²	55	62.6 Å²	62.6	29%	0.294	33%	0.33	S	S	.	.	S	Bend	trans	-69.2	-29	172.8	-54.8	-63.7	0	0	0	111.9	W107 V112 T113	W107-D156 HydrophobicContact CE3-CB 4.47Å; W107-D156 HydrophobicContact CH2-CB 3.81Å; W107-D156 VanDerWaalsContact CH2-O 3.29Å; W107-D156 WeakPolarHBondContact CH2-O 3.49Å; W107-D156 HydrophobicContact CZ2-CB 4.1Å; W107-D156 WeakPolarHBondContact CZ2-O 3.22Å; W107-D156 HydrophobicContact CZ3-CB 4Å; V112-D156 HydrophobicContact CG1-CB 3.88Å; T113-D156 WeakPolarHBondContact CB-OD2 2.89Å; T113-D156 PolarHBondContact N-OD2 3.09Å; T113-D156 WeakPolarHBondContact O-CB 3.44Å; T113-D156 PolarHBondContact O-N 3.41Å; T113-D156 PolarHBondContact OG1-N 3.11Å; T113-D156 PolarHBondContact OG1-OD2 2.99Å
157	I	98.8	Very high	97.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	109.6	176.9	-61.1	171.4	0	0	0	108.9	W107 V112 T113 Y114 R115 A155 I159 G191 L219	W107-I157 HydrophobicContact CZ2-CG1 4.14Å; V112-I157 HydrophobicContact CG1-CD1 3.64Å; V112-I157 HydrophobicContact CG1-CG1 4.03Å; T113-I157 PolarHBondContact O-N 2.77Å; Y114-I157 CarbonylContact C-O 3.55Å; Y114-I157 WeakPolarHBondContact CA-O 3.27Å; R115-I157 PolarHBondContact N-O 2.82Å; A155-I157 VanDerWaalsContact C-N 3.28Å; I157-I159 HydrophobicContact CG2-CD1 4.18Å; I157-I159 HydrophobicContact CG2-CG1 3.77Å; I157-G191 VanDerWaalsContact CG2-O 3.3Å; I157-G191 WeakPolarHBondContact CG2-O 3.32Å; I157-L219 HydrophobicContact CG2-CD2 3.88Å
158	M	98.8	Very high	97.5	Very high	30 Å²	30	60.4 Å²	60.4	15%	0.148	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	129	171.3	-52.8	-70.4	-86.4	0	0	109.3	R115 V117 A155 D192 A193	R115-M158 HydrophobicContact CB-SD 3.91Å; R115-M158 WeakPolarHBondContact O-CA 3.38Å; V117-M158 HydrophobicContact CG1-CB 4.43Å; V117-M158 HydrophobicContact CG1-CE 3.35Å; V117-M158 HydrophobicContact CG1-SD 4.24Å; A155-M158 HydrophobicContact CB-SD 3.84Å; A155-M158 PolarHBondContact N-SD 3.01Å; A155-M158 VanDerWaalsContact N-SD 3.38Å; M158-D192 WeakPolarHBondContact CA-OD1 3.38Å; M158-D192 HydrophobicContact CB-CB 4.46Å; M158-D192 WeakPolarHBondContact CB-OD1 3.41Å; M158-D192 WeakPolarHBondContact CG-OD1 3.43Å; M158-D192 PolarHBondContact N-OD1 2.93Å; M158-D192 VanDerWaalsContact O-CA 3.3Å; M158-D192 WeakPolarHBondContact O-CA 3.28Å; M158-D192 WeakPolarHBondContact O-CB 3.48Å; M158-A193 PolarHBondContact O-N 2.83Å
159	I	98.9	Very high	97.2	Very high	1 Å²	1	58.2 Å²	58.2	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.7	-172.8	-57.8	174.7	0	0	0	108.4	Y114 R115 I116 V117 V132 I157 A193 F195 L219	Y114-I159 HydrophobicContact CD2-CD1 4.12Å; R115-I159 PolarHBondContact O-N 3.21Å; I116-I159 CarbonylContact C-O 3.49Å; I116-I159 WeakPolarHBondContact CA-O 3.25Å; I116-I159 HydrophobicContact CG1-CB 4.14Å; I116-I159 HydrophobicContact CG1-CD1 4.42Å; I116-I159 HydrophobicContact CG1-CG2 4.34Å; V117-I159 VanDerWaalsContact CG2-O 3.3Å; V117-I159 WeakPolarHBondContact CG2-O 3.2Å; V117-I159 PolarHBondContact N-O 3.18Å; V132-I159 HydrophobicContact CG1-CD1 3.41Å; V132-I159 VanDerWaalsContact CG1-CD1 3.41Å; V132-I159 HydrophobicContact CG2-CD1 4.33Å; V132-I159 HydrophobicContact CG2-CG2 4.38Å; I157-I159 HydrophobicContact CG2-CD1 4.18Å; I157-I159 HydrophobicContact CG2-CG1 3.77Å; I159-A193 WeakPolarHBondContact CA-O 3.48Å; I159-F195 HydrophobicContact CG2-CD2 4.33Å; I159-F195 HydrophobicContact CG2-CE2 3.82Å; I159-L219 HydrophobicContact CD1-CD2 4.03Å; I159-L219 HydrophobicContact CG1-CD2 4.47Å
160	G	98.4	Very high	96.9	Very high	5 Å²	5	60.7 Å²	60.7	5%	0.052	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	151.3	-174.4	0	0	0	0	0	113.9	S118 A193 H194 F195	S118-G160 WeakPolarHBondContact OG-CA 3.36Å; G160-A193 PolarHBondContact N-O 3.04Å; G160-H194 CarbonylContact O-C 3.54Å; G160-H194 VanDerWaalsContact O-CA 3.27Å; G160-H194 WeakPolarHBondContact O-CA 3.33Å; G160-F195 PolarHBondContact O-N 2.98Å
161	F	98.8	Very high	96.8	Very high	14 Å²	14	62.3 Å²	62.3	6%	0.061	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	131.9	165	-61.7	-99.5	0	0	0	109.2	S118 T120 V128 F195 E197 W201 F211	S118-F161 WeakPolarHBondContact O-CD2 3.39Å; S118-F161 PolarHBondContact OG-N 3.27Å; S118-F161 PolarHBondContact OG-O 3.13Å; T120-F161 HydrophobicContact CG2-CD1 4.25Å; T120-F161 HydrophobicContact CG2-CE1 3.73Å; T120-F161 HydrophobicContact CG2-CZ 3.87Å; V128-F161 HydrophobicContact CG1-CE2 3.88Å; V128-F161 HydrophobicContact CG1-CZ 4.11Å; V128-F161 HydrophobicContact CG2-CZ 4.44Å; F161-F195 VanDerWaalsContact CA-O 3.29Å; F161-F195 WeakPolarHBondContact CA-O 3.49Å; F161-F195 HydrophobicContact CD1-CB 3.66Å; F161-F195 HydrophobicContact CE1-CB 3.85Å; F161-F195 HydrophobicContact CE1-CG 4.3Å; F161-F195 HydrophobicContact CG-CB 4.31Å; F161-E197 HydrophobicContact CB-CB 4.19Å; F161-E197 WeakPolarHBondContact CB-OE2 3.19Å; F161-E197 WeakPolarHBondContact CD1-OE2 3.22Å; F161-W201 AromaticContact CD1-CD1 3.97Å; F161-W201 AromaticContact CD1-NE1 3.83Å; F161-W201 AromaticContact CE1-CD1 3.79Å; F161-W201 HydrophobicContact CE1-CD2 4.33Å; F161-W201 HydrophobicContact CE1-CG 4.05Å; F161-W201 AromaticContact CE1-NE1 3.89Å; F161-F211 HydrophobicContact CE1-CD2 4.13Å; F161-F211 AromaticContact CE1-CE2 3.67Å; F161-F211 HydrophobicContact CE1-CE2 3.67Å; F161-F211 HydrophobicContact CE1-CZ 4.29Å; F161-F211 HydrophobicContact CE2-CE2 4.36Å; F161-F211 HydrophobicContact CE2-CZ 4.22Å; F161-F211 HydrophobicContact CZ-CD2 4.07Å; F161-F211 HydrophobicContact CZ-CE1 4.32Å; F161-F211 AromaticContact CZ-CE2 3.33Å; F161-F211 HydrophobicContact CZ-CE2 3.33Å; F161-F211 AromaticContact CZ-CZ 3.49Å; F161-F211 HydrophobicContact CZ-CZ 3.49Å; F161-F211 VanDerWaalsContact CZ-CZ 3.49Å
162	A	98.1	Very high	96.9	Very high	24 Å²	24	58 Å²	58	20%	0.198	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	169.1	-177.3	0	0	0	0	0	112.1	H166 F172 F195 D196 E197	A162-H166 HydrophobicContact CB-CB 3.42Å; A162-H166 VanDerWaalsContact CB-CB 3.42Å; A162-F172 WeakPolarHBondContact O-CD2 3.36Å; A162-F195 PolarHBondContact N-O 3.34Å; A162-D196 CarbonylContact O-C 3.57Å; A162-D196 WeakPolarHBondContact O-CA 3.42Å; A162-E197 PolarHBondContact O-N 3.16Å
163	R	98	Very high	96.8	Very high	140 Å²	140	51.5 Å²	51.5	53%	0.528	32%	0.321	S	S	.	.			trans	-127.6	147.8	179.5	-60.7	-177.5	175.4	-176.4	-8.6	110.6	A165 E197 D198	R163-A165 PolarHBondContact O-N 2.96Å; R163-E197 HydrophobicContact CG-CB 3.76Å; R163-E197 HydrophobicContact CG-CG 4.39Å; R163-E197 PolarHBondContact NE-O 3.33Å; R163-E197 PolarHBondContact NH2-O 3.36Å; R163-D198 WeakPolarHBondContact CD-OD1 3.17Å; R163-D198 IonicContact CZ-OD1 3.69Å; R163-D198 VanDerWaalsContact CZ-OD1 3.31Å; R163-D198 IonicContact NE-OD1 3.68Å; R163-D198 PolarHBondContact NE-OD1 2.8Å; R163-D198 VanDerWaalsContact NE-OD1 3.09Å; R163-D198 IonicContact NH1-OD1 3.29Å; R163-D198 IonicContact NH2-OD1 3.09Å
164	G	97.6	Very high	96.7	Very high	25 Å²	25	49.9 Å²	49.9	26%	0.258	31%	0.305	S	S	.	.	S	Bend	trans	50	-134.1	173.1	0	0	0	0	0	112.6	H166 P171 F172	G164-H166 PolarHBondContact O-N 3.46Å; G164-H166 PolarHBondContact O-ND1 3.44Å; G164-P171 VanDerWaalsContact O-CA 3.27Å; G164-P171 WeakPolarHBondContact O-CA 3.34Å; G164-F172 WeakPolarHBondContact CA-O 3.24Å; G164-F172 PolarHBondContact O-N 2.94Å
165	A	97.6	Very high	96.5	Very high	95 Å²	95	49.1 Å²	49.1	79%	0.785	30%	0.302	S	S	*	.	S	Bend	trans	-73.2	120.6	172.8	0	0	0	0	0	111.4	R163 P171	R163-A165 PolarHBondContact O-N 2.96Å; A165-P171 HydrophobicContact CB-CB 4.38Å
166	H	97.6	Very high	96.1	Very high	40 Å²	40	49.5 Å²	49.5	19%	0.185	31%	0.307	C	S	.	.			trans	-136.8	29.1	-168.2	59	-87.3	0	0	0	115.4	A162 G164 D168 Y170 F172 H181 H194	A162-H166 HydrophobicContact CB-CB 3.42Å; A162-H166 VanDerWaalsContact CB-CB 3.42Å; G164-H166 PolarHBondContact O-N 3.46Å; G164-H166 PolarHBondContact O-ND1 3.44Å; H166-D168 IonicContact CD2-OD2 3.66Å; H166-D168 IonicContact NE2-OD1 3.83Å; H166-D168 IonicContact NE2-OD2 3.2Å; H166-D168 PolarHBondContact NE2-OD2 3.02Å; H166-Y170 PolarHBondContact CE1-O 3.44Å; H166-Y170 VanDerWaalsContact CE1-O 3.27Å; H166-F172 AromaticContact CE1-CD2 3.41Å; H166-F172 VanDerWaalsContact CE1-CD2 3.41Å; H166-F172 WeakPolarHBondContact CE1-CD2 3.42Å; H166-F172 AromaticContact CE1-CE2 3.41Å; H166-F172 VanDerWaalsContact CE1-CE2 3.41Å; H166-F172 WeakPolarHBondContact CE1-CE2 3.4Å; H166-F172 AromaticContact CE1-CG 3.97Å; H166-F172 AromaticContact CE1-CZ 3.95Å; H166-F172 AromaticContact ND1-CD2 3.68Å; H166-F172 AromaticContact ND1-CE2 3.99Å; H166-F172 AromaticContact NE2-CE2 3.67Å; H166-H181 AromaticContact CE1-CE1 3.6Å; H166-H181 AromaticContact NE2-CE1 3.43Å; H166-H181 PolarHBondContact NE2-CE1 3.41Å; H166-H181 AromaticContact NE2-NE2 3.48Å; H166-H181 PolarHBondContact NE2-NE2 2.86Å; H166-H194 AromaticContact CD2-ND1 3.43Å; H166-H194 PolarHBondContact CD2-ND1 2.96Å; H166-H194 AromaticContact NE2-CG 3.81Å; H166-H194 AromaticContact NE2-ND1 3.21Å; H166-H194 PolarHBondContact NE2-ND1 3.48Å
167	G	93.9	Very high	95.8	Very high	78 Å²	78	49.8 Å²	49.8	80%	0.804	31%	0.308	S	S	*	.	S	Bend	trans	97.5	3.3	171.1	0	0	0	0	0	115.3
168	D	95.1	Very high	95.6	Very high	20 Å²	20	49.8 Å²	49.8	11%	0.107	31%	0.308	C	S	.	.	S	Bend	trans	-124.6	171.9	167.1	71	40.4	0	0	0	111	H166 Y170 H181 F183 L189 H194	H166-D168 IonicContact CD2-OD2 3.66Å; H166-D168 IonicContact NE2-OD1 3.83Å; H166-D168 IonicContact NE2-OD2 3.2Å; H166-D168 PolarHBondContact NE2-OD2 3.02Å; D168-Y170 PolarHBondContact O-N 3.41Å; D168-Y170 WeakPolarHBondContact OD1-CA 3.44Å; D168-Y170 PolarHBondContact OD1-N 3.13Å; D168-H181 IonicContact OD1-CE1 3.31Å; D168-H181 IonicContact OD1-NE2 3.84Å; D168-H181 IonicContact OD2-CE1 3.18Å; D168-H181 IonicContact OD2-NE2 2.84Å; D168-H181 PolarHBondContact OD2-NE2 2.64Å; D168-F183 HydrophobicContact CB-CZ 3.97Å; D168-F183 WeakPolarHBondContact OD2-CZ 3.39Å; D168-L189 HydrophobicContact CB-CD1 3.78Å; D168-H194 IonicContact OD2-CE1 3.77Å; D168-H194 PolarHBondContact OD2-CE1 2.86Å; D168-H194 IonicContact OD2-ND1 3.96Å; D168-H194 PolarHBondContact OD2-ND1 2.98Å
169	P	91.1	Very high	95.5	Very high	103 Å²	103	48.5 Å²	48.5	67%	0.669	30%	0.302	S	S	*	.	S	Bend	trans	-71.7	-0.4	-179.1	-20.1	34.4	0	0	0	115.8	P171	P169-P171 VanDerWaalsContact O-CD 3.29Å; P169-P171 WeakPolarHBondContact O-CD 3.3Å
170	Y	92.8	Very high	95.4	Very high	124 Å²	124	48.4 Å²	48.4	49%	0.486	30%	0.302	S	S	.	.			trans	-119.2	77	-169.7	-57.6	-72	0	0	0	110.7	H166 D168 H181 F183	H166-Y170 PolarHBondContact CE1-O 3.44Å; H166-Y170 VanDerWaalsContact CE1-O 3.27Å; D168-Y170 PolarHBondContact O-N 3.41Å; D168-Y170 WeakPolarHBondContact OD1-CA 3.44Å; D168-Y170 PolarHBondContact OD1-N 3.13Å; Y170-H181 PolarHBondContact O-CE1 3.47Å; Y170-F183 AromaticContact CD2-CE1 3.87Å; Y170-F183 HydrophobicContact CD2-CE1 3.87Å; Y170-F183 HydrophobicContact CD2-CZ 4.12Å; Y170-F183 AromaticContact CE2-CE1 3.89Å; Y170-F183 HydrophobicContact CE2-CE1 3.89Å
171	P	96.1	Very high	95.4	Very high	67 Å²	67	48.5 Å²	48.5	44%	0.435	30%	0.301	S	S	.	.			trans	-61.8	146.5	179.2	27.9	-35.4	0	0	0	112	R44 G164 A165 P169	R44-P171 PolarHBondContact NH2-O 3.19Å; G164-P171 VanDerWaalsContact O-CA 3.27Å; G164-P171 WeakPolarHBondContact O-CA 3.34Å; A165-P171 HydrophobicContact CB-CB 4.38Å; P169-P171 VanDerWaalsContact O-CD 3.29Å; P169-P171 WeakPolarHBondContact O-CD 3.3Å
172	F	97.1	Very high	95.3	Very high	10 Å²	10	48 Å²	48	4%	0.044	30%	0.299	C	S	.	.			trans	-73.2	156.5	167.1	-70.4	-50.8	0	0	0	111.6	A162 G164 H166 T178 H181 H194 D196	A162-F172 WeakPolarHBondContact O-CD2 3.36Å; G164-F172 WeakPolarHBondContact CA-O 3.24Å; G164-F172 PolarHBondContact O-N 2.94Å; H166-F172 AromaticContact CE1-CD2 3.41Å; H166-F172 VanDerWaalsContact CE1-CD2 3.41Å; H166-F172 WeakPolarHBondContact CE1-CD2 3.42Å; H166-F172 AromaticContact CE1-CE2 3.41Å; H166-F172 VanDerWaalsContact CE1-CE2 3.41Å; H166-F172 WeakPolarHBondContact CE1-CE2 3.4Å; H166-F172 AromaticContact CE1-CG 3.97Å; H166-F172 AromaticContact CE1-CZ 3.95Å; H166-F172 AromaticContact ND1-CD2 3.68Å; H166-F172 AromaticContact ND1-CE2 3.99Å; H166-F172 AromaticContact NE2-CE2 3.67Å; F172-T178 HydrophobicContact CD1-CG2 4.25Å; F172-T178 HydrophobicContact CE1-CG2 4.39Å; F172-H181 AromaticContact CE1-ND1 3.78Å; F172-H194 HydrophobicContact CE2-CB 4.05Å; F172-H194 HydrophobicContact CZ-CB 3.8Å; F172-D196 HydrophobicContact CB-CB 4.08Å; F172-D196 WeakPolarHBondContact CB-OD2 3.39Å; F172-D196 HydrophobicContact CD1-CB 3.73Å; F172-D196 HydrophobicContact CD2-CB 3.78Å; F172-D196 HydrophobicContact CE1-CB 4.1Å; F172-D196 HydrophobicContact CE2-CB 4.12Å; F172-D196 HydrophobicContact CG-CB 3.59Å; F172-D196 HydrophobicContact CZ-CB 4.3Å
173	D	94.4	Very high	95.1	Very high	70 Å²	70	48.4 Å²	48.4	37%	0.374	30%	0.297	S	S	.	.			trans	-106.4	3.6	-171.6	45	3.5	0	0	0	114.3	R44 N177 T178	R44-D173 IonicContact NH1-OD2 3.32Å; R44-D173 PolarHBondContact NH1-OD2 2.89Å; D173-N177 WeakPolarHBondContact OD2-CB 3.1Å; D173-N177 PolarHBondContact OD2-ND2 3Å; D173-T178 VanDerWaalsContact OD1-CB 3.23Å; D173-T178 WeakPolarHBondContact OD1-CB 3.35Å; D173-T178 PolarHBondContact OD1-N 3.33Å; D173-T178 PolarHBondContact OD2-OG1 2.78Å
174	G	94.1	Very high	94.9	Very high	9 Å²	9	42.7 Å²	42.7	9%	0.093	28%	0.279	C	S	.	.	S	Bend	trans	84.4	-161.3	-174.4	0	0	0	0	0	110.7	G176 D196	G174-G176 PolarHBondContact O-N 3.16Å; G174-D196 PolarHBondContact N-OD2 3.47Å
175	P	93.7	Very high	94.8	Very high	111 Å²	111	42.1 Å²	42.1	72%	0.721	27%	0.271	S	S	*	.	S	Bend	trans	-63.2	131.1	-170.1	-23	33.2	0	0	0	114.4	D198	P175-D198 HydrophobicContact CG-CB 4.33Å
176	G	89.9	Confident	94.6	Very high	19 Å²	19	38.9 Å²	38.9	20%	0.196	25%	0.247	C	C	.	.	S	Bend	trans	83.9	-172	-178.9	0	0	0	0	0	113.3	G174 T178 E199	G174-G176 PolarHBondContact O-N 3.16Å; G176-T178 PolarHBondContact O-N 2.71Å; G176-E199 WeakPolarHBondContact CA-OE1 3.45Å; G176-E199 PolarHBondContact N-OE1 2.69Å
177	N	90.3	Very high	94.3	Very high	61 Å²	61	43.1 Å²	43.1	33%	0.326	28%	0.278	S	S	.	.	S	Bend	trans	56.9	-83.8	179.4	-163.1	36.4	0	0	0	114.5	P88 R89 D173	P88-N177 CarbonylContact C-O 3.52Å; P88-N177 WeakPolarHBondContact CA-O 3.38Å; R89-N177 PolarHBondContact N-O 3.46Å; D173-N177 WeakPolarHBondContact OD2-CB 3.1Å; D173-N177 PolarHBondContact OD2-ND2 3Å
178	T	94.4	Very high	94.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	106.4	-178.5	-49.1	0	0	0	0	112.2	R44 F172 D173 G176	R44-T178 PolarHBondContact NH1-OG1 3.15Å; R44-T178 PolarHBondContact NH2-OG1 3.11Å; F172-T178 HydrophobicContact CD1-CG2 4.25Å; F172-T178 HydrophobicContact CE1-CG2 4.39Å; D173-T178 VanDerWaalsContact OD1-CB 3.23Å; D173-T178 WeakPolarHBondContact OD1-CB 3.35Å; D173-T178 PolarHBondContact OD1-N 3.33Å; D173-T178 PolarHBondContact OD2-OG1 2.78Å; G176-T178 PolarHBondContact O-N 2.71Å
179	L	96.8	Very high	94.2	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-36.1	-172.5	-59.2	178.7	0	0	0	113.7	P88 R89 D196 E199 W201 I209 Y239	P88-L179 HydrophobicContact CB-CD1 3.74Å; P88-L179 HydrophobicContact CB-CD2 3.67Å; P88-L179 HydrophobicContact CB-CG 3.79Å; R89-L179 PolarHBondContact O-N 3.3Å; L179-D196 PolarHBondContact O-N 3.37Å; L179-E199 HydrophobicContact CD2-CG 3.78Å; L179-E199 VanDerWaalsContact CD2-OE1 3.27Å; L179-E199 WeakPolarHBondContact CD2-OE1 3.33Å; L179-W201 HydrophobicContact CB-CH2 4.45Å; L179-W201 VanDerWaalsContact O-CZ2 3.31Å; L179-W201 WeakPolarHBondContact O-CZ2 3.27Å; L179-I209 HydrophobicContact CD1-CD1 4.02Å; L179-I209 HydrophobicContact CD1-CG1 4.41Å; L179-I209 HydrophobicContact CD1-CG2 4.27Å; L179-I209 HydrophobicContact CD2-CD1 4.05Å; L179-I209 HydrophobicContact CD2-CG1 4.06Å; L179-Y239 HydrophobicContact CB-CD2 4.25Å; L179-Y239 HydrophobicContact CB-CE2 3.46Å; L179-Y239 VanDerWaalsContact CB-CE2 3.46Å; L179-Y239 HydrophobicContact CD1-CD2 3.16Å; L179-Y239 HydrophobicContact CD1-CE2 3.29Å; L179-Y239 HydrophobicContact CD1-CG 4.01Å; L179-Y239 HydrophobicContact CG-CD2 4.33Å; L179-Y239 HydrophobicContact CG-CE2 4.01Å
180	A	97.9	Very high	94.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	168.2	-177.3	0	0	0	0	0	109.4	G91 H194 F195 E218 Y239	G91-A180 WeakPolarHBondContact CA-O 3.28Å; G91-A180 PolarHBondContact N-O 2.88Å; A180-H194 CarbonylContact C-O 3.59Å; A180-H194 VanDerWaalsContact CA-O 3.23Å; A180-H194 WeakPolarHBondContact CA-O 3.38Å; A180-H194 WeakPolarHBondContact CB-O 3.29Å; A180-F195 HydrophobicContact CB-CD1 3.72Å; A180-F195 HydrophobicContact CB-CE1 4.12Å; A180-F195 HydrophobicContact CB-CG 4.29Å; A180-E218 HydrophobicContact CB-CG 3.6Å; A180-Y239 VanDerWaalsContact CB-OH 3.28Å; A180-Y239 WeakPolarHBondContact CB-OH 3.49Å
181	H	97.7	Very high	94.5	Very high	7 Å²	7	35 Å²	35	3%	0.032	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	165.1	165.5	61.4	-133	0	0	0	111.2	V92 H166 D168 Y170 F172 F183 H194 E218	V92-H181 HydrophobicContact CG2-CB 4.18Å; H166-H181 AromaticContact CE1-CE1 3.6Å; H166-H181 AromaticContact NE2-CE1 3.43Å; H166-H181 PolarHBondContact NE2-CE1 3.41Å; H166-H181 AromaticContact NE2-NE2 3.48Å; H166-H181 PolarHBondContact NE2-NE2 2.86Å; D168-H181 IonicContact OD1-CE1 3.31Å; D168-H181 IonicContact OD1-NE2 3.84Å; D168-H181 IonicContact OD2-CE1 3.18Å; D168-H181 IonicContact OD2-NE2 2.84Å; D168-H181 PolarHBondContact OD2-NE2 2.64Å; Y170-H181 PolarHBondContact O-CE1 3.47Å; F172-H181 AromaticContact CE1-ND1 3.78Å; H181-F183 AromaticContact CD2-CE2 3.93Å; H181-F183 AromaticContact NE2-CE2 3.92Å; H181-F183 AromaticContact NE2-CZ 3.91Å; H181-H194 AromaticContact CD2-ND1 3.95Å; H181-H194 PolarHBondContact N-O 2.87Å; H181-H194 AromaticContact NE2-CG 3.8Å; H181-H194 AromaticContact NE2-ND1 3.26Å; H181-H194 PolarHBondContact NE2-ND1 2.84Å; H181-H194 PolarHBondContact O-N 2.9Å; H181-H194 VanDerWaalsContact O-O 3.13Å; H181-E218 VanDerWaalsContact CA-OE2 3.3Å; H181-E218 WeakPolarHBondContact CA-OE2 3.33Å
182	A	97.2	Very high	94.7	Very high	4 Å²	4	32.4 Å²	32.4	3%	0.033	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	165	172.6	0	0	0	0	0	111.5	V92 D192 A193 E218 H221	V92-A182 WeakPolarHBondContact CG2-O 3.33Å; A182-D192 CarbonylContact C-O 3.3Å; A182-D192 WeakPolarHBondContact CA-O 3.42Å; A182-D192 WeakPolarHBondContact CB-O 3.4Å; A182-A193 HydrophobicContact CB-CB 3.99Å; A182-E218 HydrophobicContact CB-CB 3.98Å; A182-E218 VanDerWaalsContact CB-O 3.26Å; A182-E218 WeakPolarHBondContact CB-O 3.23Å; A182-E218 PolarHBondContact N-OE2 3.24Å; A182-H221 HydrophobicContact CB-CB 3.82Å
183	F	94.9	Very high	94.7	Very high	32 Å²	32	32 Å²	32	14%	0.14	22%	0.219	C	C	.	.			trans	-111.1	144.3	-179.9	-58.7	-85.1	0	0	0	110.6	D168 Y170 H181 L189 G191 D192 H194 S222	D168-F183 HydrophobicContact CB-CZ 3.97Å; D168-F183 WeakPolarHBondContact OD2-CZ 3.39Å; Y170-F183 AromaticContact CD2-CE1 3.87Å; Y170-F183 HydrophobicContact CD2-CE1 3.87Å; Y170-F183 HydrophobicContact CD2-CZ 4.12Å; Y170-F183 AromaticContact CE2-CE1 3.89Å; Y170-F183 HydrophobicContact CE2-CE1 3.89Å; H181-F183 AromaticContact CD2-CE2 3.93Å; H181-F183 AromaticContact NE2-CE2 3.92Å; H181-F183 AromaticContact NE2-CZ 3.91Å; F183-L189 WeakPolarHBondContact CB-O 3.29Å; F183-L189 HydrophobicContact CD2-CB 4.27Å; F183-L189 WeakPolarHBondContact CD2-O 3.21Å; F183-L189 HydrophobicContact CE2-CB 4.44Å; F183-L189 HydrophobicContact CG-CB 4.39Å; F183-L189 WeakPolarHBondContact CG-O 3.24Å; F183-L189 HydrophobicContact CZ-CD1 4.44Å; F183-G191 VanDerWaalsContact O-CA 3.32Å; F183-G191 WeakPolarHBondContact O-CA 3.32Å; F183-G191 PolarHBondContact O-N 3.31Å; F183-G191 VanDerWaalsContact O-N 3.16Å; F183-D192 HydrophobicContact CD2-CB 4.12Å; F183-D192 PolarHBondContact N-O 3.37Å; F183-H194 AromaticContact CE2-CE1 3.96Å; F183-S222 WeakPolarHBondContact O-CA 3.36Å
184	A	93.4	Very high	94.9	Very high	19 Å²	19	29.8 Å²	29.8	16%	0.157	21%	0.207	C	C	.	.			trans	-60	157.3	173.4	0	0	0	0	0	112.5	Y98 P105 G186 G190 G191	Y98-A184 HydrophobicContact CD1-CB 3.56Å; Y98-A184 HydrophobicContact CE1-CB 3.48Å; Y98-A184 VanDerWaalsContact CE1-CB 3.48Å; P105-A184 HydrophobicContact CB-CB 4.06Å; P105-A184 HydrophobicContact CG-CB 3.86Å; A184-G186 PolarHBondContact O-N 3.44Å; A184-G190 CarbonylContact O-C 3.55Å; A184-G190 WeakPolarHBondContact O-CA 3.47Å; A184-G191 PolarHBondContact O-N 3.49Å
185	P	95.4	Very high	95.2	Very high	13 Å²	13	29.4 Å²	29.4	8%	0.084	20%	0.202	C	C	.	.	S	Bend	trans	-50.1	128.6	176.8	-29.8	35.6	0	0	0	112.9	P105 W107 S222 G224	P105-P185 WeakPolarHBondContact O-CD 3.42Å; P105-P185 WeakPolarHBondContact O-CG 3.47Å; W107-P185 HydrophobicContact CD2-CB 3.93Å; W107-P185 HydrophobicContact CE3-CB 4.4Å; W107-P185 HydrophobicContact CG-CB 4.27Å; W107-P185 HydrophobicContact CH2-CB 4.49Å; W107-P185 HydrophobicContact CZ2-CB 4.03Å; P185-S222 WeakPolarHBondContact CG-O 3.47Å; P185-G224 VanDerWaalsContact CD-N 3.35Å
186	G	92.7	Very high	95.4	Very high	28 Å²	28	24.1 Å²	24.1	29%	0.289	17%	0.168	S	C	.	.			trans	174.3	-179.6	-178.6	0	0	0	0	0	113.2	A184 G190	A184-G186 PolarHBondContact O-N 3.44Å; G186-G190 CarbonylContact O-C 3.59Å
187	P	91.3	Very high	95.8	Very high	129 Å²	129	24.4 Å²	24.4	84%	0.838	16%	0.164	S	C	*	.	S	Bend	trans	-75.7	163.7	173.5	32.8	-35.2	0	0	0	112	L189 G190	P187-L189 PolarHBondContact O-N 3.03Å; P187-G190 PolarHBondContact O-N 3.14Å; P187-G190 VanDerWaalsContact O-N 3.11Å
188	G	93.1	Very high	96.2	Very high	72 Å²	72	24.3 Å²	24.3	74%	0.742	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.8	-119.7	175.1	0	0	0	0	0	111.3	G190	G188-G190 PolarHBondContact O-N 3.47Å
189	L	93.9	Very high	96.3	Very high	69 Å²	69	25.1 Å²	25.1	36%	0.361	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-11.7	173.9	-65.3	174.9	0	0	0	112.9	D168 F183 P187 G191 D192	D168-L189 HydrophobicContact CB-CD1 3.78Å; F183-L189 WeakPolarHBondContact CB-O 3.29Å; F183-L189 HydrophobicContact CD2-CB 4.27Å; F183-L189 WeakPolarHBondContact CD2-O 3.21Å; F183-L189 HydrophobicContact CE2-CB 4.44Å; F183-L189 HydrophobicContact CG-CB 4.39Å; F183-L189 WeakPolarHBondContact CG-O 3.24Å; F183-L189 HydrophobicContact CZ-CD1 4.44Å; P187-L189 PolarHBondContact O-N 3.03Å; L189-G191 PolarHBondContact O-N 2.72Å; L189-D192 WeakPolarHBondContact O-CB 3.25Å; L189-D192 PolarHBondContact O-N 3.24Å
190	G	94.9	Very high	96.2	Very high	12 Å²	12	31.7 Å²	31.7	12%	0.124	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	125.9	-178.9	0	0	0	0	0	111.5	A184 G186 P187 G188	A184-G190 CarbonylContact O-C 3.55Å; A184-G190 WeakPolarHBondContact O-CA 3.47Å; G186-G190 CarbonylContact O-C 3.59Å; P187-G190 PolarHBondContact O-N 3.14Å; P187-G190 VanDerWaalsContact O-N 3.11Å; G188-G190 PolarHBondContact O-N 3.47Å
191	G	96.4	Very high	96.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.7	-21.8	-175	0	0	0	0	0	114.6	I157 F183 A184 L189 S222	I157-G191 VanDerWaalsContact CG2-O 3.3Å; I157-G191 WeakPolarHBondContact CG2-O 3.32Å; F183-G191 VanDerWaalsContact O-CA 3.32Å; F183-G191 WeakPolarHBondContact O-CA 3.32Å; F183-G191 PolarHBondContact O-N 3.31Å; F183-G191 VanDerWaalsContact O-N 3.16Å; A184-G191 PolarHBondContact O-N 3.49Å; L189-G191 PolarHBondContact O-N 2.72Å; G191-S222 WeakPolarHBondContact O-CB 3.35Å; G191-S222 PolarHBondContact O-OG 3.22Å
192	D	98.5	Very high	96	Very high	14 Å²	14	31.7 Å²	31.7	8%	0.075	19%	0.192	C	C	.	.			trans	-66.3	151.6	-174.6	-67.4	-9.7	0	0	0	111.9	M158 A182 F183 L189	M158-D192 WeakPolarHBondContact CA-OD1 3.38Å; M158-D192 HydrophobicContact CB-CB 4.46Å; M158-D192 WeakPolarHBondContact CB-OD1 3.41Å; M158-D192 WeakPolarHBondContact CG-OD1 3.43Å; M158-D192 PolarHBondContact N-OD1 2.93Å; M158-D192 VanDerWaalsContact O-CA 3.3Å; M158-D192 WeakPolarHBondContact O-CA 3.28Å; M158-D192 WeakPolarHBondContact O-CB 3.48Å; A182-D192 CarbonylContact C-O 3.3Å; A182-D192 WeakPolarHBondContact CA-O 3.42Å; A182-D192 WeakPolarHBondContact CB-O 3.4Å; F183-D192 HydrophobicContact CD2-CB 4.12Å; F183-D192 PolarHBondContact N-O 3.37Å; L189-D192 WeakPolarHBondContact O-CB 3.25Å; L189-D192 PolarHBondContact O-N 3.24Å
193	A	98.7	Very high	95.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	124.2	178.3	0	0	0	0	0	110.2	M158 I159 G160 A182 F195 E218 L219	M158-A193 PolarHBondContact O-N 2.83Å; I159-A193 WeakPolarHBondContact CA-O 3.48Å; G160-A193 PolarHBondContact N-O 3.04Å; A182-A193 HydrophobicContact CB-CB 3.99Å; A193-F195 HydrophobicContact CB-CE2 4.16Å; A193-E218 HydrophobicContact CB-CB 4.21Å; A193-L219 HydrophobicContact CB-CD2 4.44Å
194	H	98.8	Very high	95.4	Very high	25 Å²	25	34 Å²	34	12%	0.116	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.6	-178	-58.3	160.5	0	0	0	110.4	G160 H166 D168 F172 A180 H181 F183	G160-H194 CarbonylContact O-C 3.54Å; G160-H194 VanDerWaalsContact O-CA 3.27Å; G160-H194 WeakPolarHBondContact O-CA 3.33Å; H166-H194 AromaticContact CD2-ND1 3.43Å; H166-H194 PolarHBondContact CD2-ND1 2.96Å; H166-H194 AromaticContact NE2-CG 3.81Å; H166-H194 AromaticContact NE2-ND1 3.21Å; H166-H194 PolarHBondContact NE2-ND1 3.48Å; D168-H194 IonicContact OD2-CE1 3.77Å; D168-H194 PolarHBondContact OD2-CE1 2.86Å; D168-H194 IonicContact OD2-ND1 3.96Å; D168-H194 PolarHBondContact OD2-ND1 2.98Å; F172-H194 HydrophobicContact CE2-CB 4.05Å; F172-H194 HydrophobicContact CZ-CB 3.8Å; A180-H194 CarbonylContact C-O 3.59Å; A180-H194 VanDerWaalsContact CA-O 3.23Å; A180-H194 WeakPolarHBondContact CA-O 3.38Å; A180-H194 WeakPolarHBondContact CB-O 3.29Å; H181-H194 AromaticContact CD2-ND1 3.95Å; H181-H194 PolarHBondContact N-O 2.87Å; H181-H194 AromaticContact NE2-CG 3.8Å; H181-H194 AromaticContact NE2-ND1 3.26Å; H181-H194 PolarHBondContact NE2-ND1 2.84Å; H181-H194 PolarHBondContact O-N 2.9Å; H181-H194 VanDerWaalsContact O-O 3.13Å; F183-H194 AromaticContact CE2-CE1 3.96Å
195	F	98.7	Very high	95	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	134.6	179.1	-62.6	-91.1	0	0	0	108.9	I159 G160 F161 A162 A180 A193 E197 W201 F211 A214 A215 E218	I159-F195 HydrophobicContact CG2-CD2 4.33Å; I159-F195 HydrophobicContact CG2-CE2 3.82Å; G160-F195 PolarHBondContact O-N 2.98Å; F161-F195 VanDerWaalsContact CA-O 3.29Å; F161-F195 WeakPolarHBondContact CA-O 3.49Å; F161-F195 HydrophobicContact CD1-CB 3.66Å; F161-F195 HydrophobicContact CE1-CB 3.85Å; F161-F195 HydrophobicContact CE1-CG 4.3Å; F161-F195 HydrophobicContact CG-CB 4.31Å; A162-F195 PolarHBondContact N-O 3.34Å; A180-F195 HydrophobicContact CB-CD1 3.72Å; A180-F195 HydrophobicContact CB-CE1 4.12Å; A180-F195 HydrophobicContact CB-CG 4.29Å; A193-F195 HydrophobicContact CB-CE2 4.16Å; F195-E197 PolarHBondContact O-N 3.12Å; F195-W201 HydrophobicContact CB-CH2 4.31Å; F195-W201 HydrophobicContact CB-CZ2 3.68Å; F195-W201 AromaticContact CD1-CH2 3.71Å; F195-W201 HydrophobicContact CD1-CH2 3.71Å; F195-W201 AromaticContact CD1-CZ2 3.97Å; F195-W201 HydrophobicContact CD1-CZ2 3.97Å; F195-W201 HydrophobicContact CD1-CZ3 4.18Å; F195-W201 HydrophobicContact CG-CH2 4.5Å; F195-W201 HydrophobicContact CG-CZ2 4.32Å; F195-F211 HydrophobicContact CD1-CD2 4.11Å; F195-F211 AromaticContact CD1-CE2 3.61Å; F195-F211 HydrophobicContact CD1-CE2 3.61Å; F195-F211 HydrophobicContact CD2-CE2 4.03Å; F195-F211 HydrophobicContact CE1-CD2 4.27Å; F195-F211 AromaticContact CE1-CE2 3.71Å; F195-F211 HydrophobicContact CE1-CE2 3.71Å; F195-F211 HydrophobicContact CE2-CE2 4.15Å; F195-F211 HydrophobicContact CE2-CZ 4.42Å; F195-F211 AromaticContact CG-CE2 3.79Å; F195-F211 HydrophobicContact CG-CE2 3.79Å; F195-F211 AromaticContact CZ-CE2 4Å; F195-F211 HydrophobicContact CZ-CE2 4Å; F195-F211 HydrophobicContact CZ-CZ 4.4Å; F195-A214 HydrophobicContact CD1-CB 4.45Å; F195-A214 HydrophobicContact CE1-CB 4.08Å; F195-A215 HydrophobicContact CE1-CB 4.29Å; F195-A215 HydrophobicContact CZ-CB 4.04Å; F195-E218 HydrophobicContact CE1-CB 4.42Å; F195-E218 HydrophobicContact CE1-CG 3.93Å; F195-E218 HydrophobicContact CZ-CB 4.09Å; F195-E218 HydrophobicContact CZ-CG 4.08Å
196	D	98.5	Very high	94.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	118.9	179.2	-171.3	-0.6	0	0	0	110.5	A162 F172 G174 L179 D198 E199 W201	A162-D196 CarbonylContact O-C 3.57Å; A162-D196 WeakPolarHBondContact O-CA 3.42Å; F172-D196 HydrophobicContact CB-CB 4.08Å; F172-D196 WeakPolarHBondContact CB-OD2 3.39Å; F172-D196 HydrophobicContact CD1-CB 3.73Å; F172-D196 HydrophobicContact CD2-CB 3.78Å; F172-D196 HydrophobicContact CE1-CB 4.1Å; F172-D196 HydrophobicContact CE2-CB 4.12Å; F172-D196 HydrophobicContact CG-CB 3.59Å; F172-D196 HydrophobicContact CZ-CB 4.3Å; G174-D196 PolarHBondContact N-OD2 3.47Å; L179-D196 PolarHBondContact O-N 3.37Å; D196-D198 PolarHBondContact O-N 2.94Å; D196-D198 PolarHBondContact OD1-N 3.11Å; D196-E199 HydrophobicContact CB-CG 3.96Å; D196-E199 WeakPolarHBondContact O-CB 3.19Å; D196-E199 PolarHBondContact O-N 2.88Å; D196-W201 PolarHBondContact O-NE1 2.88Å
197	E	98.4	Very high	94.2	Very high	24 Å²	24	45.8 Å²	45.8	11%	0.112	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81	0.7	179.5	-174.5	56.6	-164.7	0	0	112.8	T120 R121 F161 A162 R163 F195	T120-E197 WeakPolarHBondContact CA-OE1 3.41Å; T120-E197 WeakPolarHBondContact CA-OE2 2.98Å; T120-E197 WeakPolarHBondContact CB-OE2 3.48Å; T120-E197 PolarHBondContact OG1-OE1 3.27Å; T120-E197 PolarHBondContact OG1-OE2 3Å; R121-E197 PolarHBondContact N-OE1 3.03Å; R121-E197 VanDerWaalsContact N-OE1 3.13Å; F161-E197 HydrophobicContact CB-CB 4.19Å; F161-E197 WeakPolarHBondContact CB-OE2 3.19Å; F161-E197 WeakPolarHBondContact CD1-OE2 3.22Å; A162-E197 PolarHBondContact O-N 3.16Å; R163-E197 HydrophobicContact CG-CB 3.76Å; R163-E197 HydrophobicContact CG-CG 4.39Å; R163-E197 PolarHBondContact NE-O 3.33Å; R163-E197 PolarHBondContact NH2-O 3.36Å; F195-E197 PolarHBondContact O-N 3.12Å
198	D	98.1	Very high	94.2	Very high	59 Å²	59	41.3 Å²	41.3	32%	0.316	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-9.8	164	-71.2	-40.2	0	0	0	112.4	R163 P175 D196	R163-D198 WeakPolarHBondContact CD-OD1 3.17Å; R163-D198 IonicContact CZ-OD1 3.69Å; R163-D198 VanDerWaalsContact CZ-OD1 3.31Å; R163-D198 IonicContact NE-OD1 3.68Å; R163-D198 PolarHBondContact NE-OD1 2.8Å; R163-D198 VanDerWaalsContact NE-OD1 3.09Å; R163-D198 IonicContact NH1-OD1 3.29Å; R163-D198 IonicContact NH2-OD1 3.09Å; P175-D198 HydrophobicContact CG-CB 4.33Å; D196-D198 PolarHBondContact O-N 2.94Å; D196-D198 PolarHBondContact OD1-N 3.11Å
199	E	96.9	Very high	94.2	Very high	18 Å²	18	39.7 Å²	39.7	8%	0.084	23%	0.228	C	C	.	.	S	Bend	trans	-81.3	152.9	170.3	-61.5	-61.4	166.7	0	0	112.8	G176 L179 D196 W201	G176-E199 WeakPolarHBondContact CA-OE1 3.45Å; G176-E199 PolarHBondContact N-OE1 2.69Å; L179-E199 HydrophobicContact CD2-CG 3.78Å; L179-E199 VanDerWaalsContact CD2-OE1 3.27Å; L179-E199 WeakPolarHBondContact CD2-OE1 3.33Å; D196-E199 HydrophobicContact CB-CG 3.96Å; D196-E199 WeakPolarHBondContact O-CB 3.19Å; D196-E199 PolarHBondContact O-N 2.88Å; E199-W201 HydrophobicContact CB-CZ2 3.98Å; E199-W201 HydrophobicContact CG-CZ2 4.33Å; E199-W201 PolarHBondContact O-N 2.98Å
200	R	95.7	Very high	94.2	Very high	140 Å²	140	37.8 Å²	37.8	53%	0.528	22%	0.218	S	C	.	.			trans	-88.8	101.5	173.2	-172.4	179.9	177.6	-165.7	-2.2	110.9	D122 L207 G208 I209	D122-R200 WeakPolarHBondContact OD2-CA 3.36Å; R200-L207 WeakPolarHBondContact CD-O 3.45Å; R200-L207 PolarHBondContact NE-O 3.34Å; R200-L207 PolarHBondContact NH1-O 3.22Å; R200-L207 VanDerWaalsContact NH1-O 3.11Å; R200-G208 WeakPolarHBondContact O-CA 3.49Å; R200-I209 PolarHBondContact O-N 2.96Å
201	W	96.4	Very high	94.2	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.011	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	134.8	-179.8	-63.1	102.4	0	0	0	112.3	T120 D122 L123 F161 L179 F195 D196 E199 I209 F211 A214	T120-W201 HydrophobicContact CG2-CB 4.21Å; D122-W201 HydrophobicContact CB-CB 4.31Å; D122-W201 VanDerWaalsContact CB-O 3.25Å; D122-W201 WeakPolarHBondContact CB-O 3.31Å; D122-W201 PolarHBondContact OD2-N 3.37Å; L123-W201 HydrophobicContact CD1-CB 4.29Å; F161-W201 AromaticContact CD1-CD1 3.97Å; F161-W201 AromaticContact CD1-NE1 3.83Å; F161-W201 AromaticContact CE1-CD1 3.79Å; F161-W201 HydrophobicContact CE1-CD2 4.33Å; F161-W201 HydrophobicContact CE1-CG 4.05Å; F161-W201 AromaticContact CE1-NE1 3.89Å; L179-W201 HydrophobicContact CB-CH2 4.45Å; L179-W201 VanDerWaalsContact O-CZ2 3.31Å; L179-W201 WeakPolarHBondContact O-CZ2 3.27Å; F195-W201 HydrophobicContact CB-CH2 4.31Å; F195-W201 HydrophobicContact CB-CZ2 3.68Å; F195-W201 AromaticContact CD1-CH2 3.71Å; F195-W201 HydrophobicContact CD1-CH2 3.71Å; F195-W201 AromaticContact CD1-CZ2 3.97Å; F195-W201 HydrophobicContact CD1-CZ2 3.97Å; F195-W201 HydrophobicContact CD1-CZ3 4.18Å; F195-W201 HydrophobicContact CG-CH2 4.5Å; F195-W201 HydrophobicContact CG-CZ2 4.32Å; D196-W201 PolarHBondContact O-NE1 2.88Å; E199-W201 HydrophobicContact CB-CZ2 3.98Å; E199-W201 HydrophobicContact CG-CZ2 4.33Å; E199-W201 PolarHBondContact O-N 2.98Å; W201-I209 HydrophobicContact CE3-CB 3.94Å; W201-I209 HydrophobicContact CE3-CG2 3.96Å; W201-I209 HydrophobicContact CH2-CG2 4.17Å; W201-I209 HydrophobicContact CZ3-CB 3.87Å; W201-I209 HydrophobicContact CZ3-CG2 3.42Å; W201-I209 VanDerWaalsContact CZ3-CG2 3.42Å; W201-F211 HydrophobicContact CD2-CD2 4.02Å; W201-F211 HydrophobicContact CE3-CB 4.04Å; W201-F211 AromaticContact CE3-CD2 3.66Å; W201-F211 HydrophobicContact CE3-CD2 3.66Å; W201-F211 HydrophobicContact CE3-CG 4.34Å; W201-F211 HydrophobicContact CZ3-CD2 4.12Å; W201-A214 HydrophobicContact CH2-CB 4.05Å; W201-A214 HydrophobicContact CZ3-CB 3.54Å
202	T	94.9	Very high	94.2	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.018	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	161.2	178.4	76.7	0	0	0	0	110.7	G204 S206 I209 F211	T202-G204 PolarHBondContact O-N 2.93Å; T202-G204 PolarHBondContact OG1-N 3.26Å; T202-G204 VanDerWaalsContact OG1-N 3.15Å; T202-S206 WeakPolarHBondContact CG2-OG 3.46Å; T202-I209 PolarHBondContact N-O 3.25Å; T202-I209 PolarHBondContact OG1-O 3.48Å; T202-F211 WeakPolarHBondContact O-CB 3.15Å; T202-F211 PolarHBondContact O-N 3.41Å
203	D	91.9	Very high	94	Very high	60 Å²	60	37.9 Å²	37.9	32%	0.321	21%	0.214	S	C	.	.	S	Bend	trans	-84	10.9	168.8	66.7	-7.2	0	0	0	112.9	L123 T127 L131 S205	L123-D203 HydrophobicContact CD2-CB 4.31Å; T127-D203 HydrophobicContact CG2-CB 4.13Å; L131-D203 HydrophobicContact CD1-CB 4.03Å; D203-S205 VanDerWaalsContact OD1-CB 3.23Å; D203-S205 WeakPolarHBondContact OD1-CB 3.25Å; D203-S205 PolarHBondContact OD1-N 2.94Å; D203-S205 VanDerWaalsContact OD1-N 3.11Å; D203-S205 PolarHBondContact OD1-OG 3.43Å
204	G	87.3	Confident	93.8	Very high	26 Å²	26	37.9 Å²	37.9	27%	0.268	21%	0.214	S	C	.	.	S	Bend	trans	89.2	-1.8	-175.8	0	0	0	0	0	114.8	T202	T202-G204 PolarHBondContact O-N 2.93Å; T202-G204 PolarHBondContact OG1-N 3.26Å; T202-G204 VanDerWaalsContact OG1-N 3.15Å
205	S	84.2	Confident	93.8	Very high	100 Å²	100	36.7 Å²	36.7	70%	0.699	21%	0.209	S	C	*	.	S	Bend	trans	-83.5	-10.6	177.5	65.9	0	0	0	0	114.5	D203	D203-S205 VanDerWaalsContact OD1-CB 3.23Å; D203-S205 WeakPolarHBondContact OD1-CB 3.25Å; D203-S205 PolarHBondContact OD1-N 2.94Å; D203-S205 VanDerWaalsContact OD1-N 3.11Å; D203-S205 PolarHBondContact OD1-OG 3.43Å
206	S	84	Confident	93.8	Very high	60 Å²	60	36.7 Å²	36.7	42%	0.42	21%	0.209	S	C	.	.	S	Bend	trans	-142.3	170.5	-175.7	59.9	0	0	0	0	111.6	T202 G208	T202-S206 WeakPolarHBondContact CG2-OG 3.46Å; S206-G208 PolarHBondContact O-N 3.43Å
207	L	87.9	Confident	93.7	Very high	146 Å²	146	36.7 Å²	36.7	76%	0.764	21%	0.209	S	C	*	.	S	Bend	trans	-66	122.2	177.6	-176.5	69.2	0	0	0	110.7	R200	R200-L207 WeakPolarHBondContact CD-O 3.45Å; R200-L207 PolarHBondContact NE-O 3.34Å; R200-L207 PolarHBondContact NH1-O 3.22Å; R200-L207 VanDerWaalsContact NH1-O 3.11Å
208	G	91.2	Very high	93.7	Very high	36 Å²	36	35.5 Å²	35.5	37%	0.371	20%	0.203	S	C	.	.	S	Bend	trans	154.2	-168.5	176.9	0	0	0	0	0	110.2	R200 S206	R200-G208 WeakPolarHBondContact O-CA 3.49Å; S206-G208 PolarHBondContact O-N 3.43Å
209	I	92.6	Very high	93.7	Very high	38 Å²	38	32.8 Å²	32.8	20%	0.195	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	127.5	179.9	-51.1	-56.9	0	0	0	109.3	L179 R200 W201 T202 F211 A214 Y239	L179-I209 HydrophobicContact CD1-CD1 4.02Å; L179-I209 HydrophobicContact CD1-CG1 4.41Å; L179-I209 HydrophobicContact CD1-CG2 4.27Å; L179-I209 HydrophobicContact CD2-CD1 4.05Å; L179-I209 HydrophobicContact CD2-CG1 4.06Å; R200-I209 PolarHBondContact O-N 2.96Å; W201-I209 HydrophobicContact CE3-CB 3.94Å; W201-I209 HydrophobicContact CE3-CG2 3.96Å; W201-I209 HydrophobicContact CH2-CG2 4.17Å; W201-I209 HydrophobicContact CZ3-CB 3.87Å; W201-I209 HydrophobicContact CZ3-CG2 3.42Å; W201-I209 VanDerWaalsContact CZ3-CG2 3.42Å; T202-I209 PolarHBondContact N-O 3.25Å; T202-I209 PolarHBondContact OG1-O 3.48Å; I209-F211 PolarHBondContact O-N 3.13Å; I209-F211 VanDerWaalsContact O-N 3.12Å; I209-A214 HydrophobicContact CG2-CB 4.47Å; I209-Y239 HydrophobicContact CG2-CD2 3.73Å; I209-Y239 HydrophobicContact CG2-CE2 4.13Å
210	N	93.8	Very high	93.8	Very high	29 Å²	29	31.9 Å²	31.9	16%	0.155	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	106.4	176.5	-175.8	-24.8	0	0	0	109.9	L212 Y213 A214	N210-L212 PolarHBondContact O-N 3.47Å; N210-L212 WeakPolarHBondContact OD1-CB 3.32Å; N210-L212 PolarHBondContact OD1-N 2.98Å; N210-Y213 WeakPolarHBondContact O-CB 3.47Å; N210-Y213 PolarHBondContact O-N 2.91Å; N210-A214 PolarHBondContact O-N 3.05Å
211	F	95.8	Very high	93.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.9	-29.4	-175.8	-176.5	-110.8	0	0	0	112.8	L123 V128 L131 V132 F161 F195 W201 T202 I209 Y213 A215	L123-F211 HydrophobicContact CD1-CB 4.11Å; L123-F211 HydrophobicContact CD1-CG 4.48Å; V128-F211 HydrophobicContact CB-CE1 4.49Å; V128-F211 HydrophobicContact CG1-CE1 3.88Å; V128-F211 HydrophobicContact CG1-CZ 4.12Å; L131-F211 HydrophobicContact CB-CD1 3.84Å; L131-F211 HydrophobicContact CB-CE1 4.21Å; L131-F211 HydrophobicContact CD1-CB 4.22Å; L131-F211 HydrophobicContact CD1-CD1 3.85Å; L131-F211 HydrophobicContact CG-CD1 4.5Å; V132-F211 HydrophobicContact CG2-CE1 3.91Å; V132-F211 HydrophobicContact CG2-CZ 4.06Å; F161-F211 HydrophobicContact CE1-CD2 4.13Å; F161-F211 AromaticContact CE1-CE2 3.67Å; F161-F211 HydrophobicContact CE1-CE2 3.67Å; F161-F211 HydrophobicContact CE1-CZ 4.29Å; F161-F211 HydrophobicContact CE2-CE2 4.36Å; F161-F211 HydrophobicContact CE2-CZ 4.22Å; F161-F211 HydrophobicContact CZ-CD2 4.07Å; F161-F211 HydrophobicContact CZ-CE1 4.32Å; F161-F211 AromaticContact CZ-CE2 3.33Å; F161-F211 HydrophobicContact CZ-CE2 3.33Å; F161-F211 AromaticContact CZ-CZ 3.49Å; F161-F211 HydrophobicContact CZ-CZ 3.49Å; F161-F211 VanDerWaalsContact CZ-CZ 3.49Å; F195-F211 HydrophobicContact CD1-CD2 4.11Å; F195-F211 AromaticContact CD1-CE2 3.61Å; F195-F211 HydrophobicContact CD1-CE2 3.61Å; F195-F211 HydrophobicContact CD2-CE2 4.03Å; F195-F211 HydrophobicContact CE1-CD2 4.27Å; F195-F211 AromaticContact CE1-CE2 3.71Å; F195-F211 HydrophobicContact CE1-CE2 3.71Å; F195-F211 HydrophobicContact CE2-CE2 4.15Å; F195-F211 HydrophobicContact CE2-CZ 4.42Å; F195-F211 AromaticContact CG-CE2 3.79Å; F195-F211 HydrophobicContact CG-CE2 3.79Å; F195-F211 AromaticContact CZ-CE2 4Å; F195-F211 HydrophobicContact CZ-CE2 4Å; F195-F211 HydrophobicContact CZ-CZ 4.4Å; W201-F211 HydrophobicContact CD2-CD2 4.02Å; W201-F211 HydrophobicContact CE3-CB 4.04Å; W201-F211 AromaticContact CE3-CD2 3.66Å; W201-F211 HydrophobicContact CE3-CD2 3.66Å; W201-F211 HydrophobicContact CE3-CG 4.34Å; W201-F211 HydrophobicContact CZ3-CD2 4.12Å; T202-F211 WeakPolarHBondContact O-CB 3.15Å; T202-F211 PolarHBondContact O-N 3.41Å; I209-F211 PolarHBondContact O-N 3.13Å; I209-F211 VanDerWaalsContact O-N 3.12Å; F211-Y213 VanDerWaalsContact C-N 3.33Å; F211-Y213 PolarHBondContact O-N 3.35Å; F211-A215 HydrophobicContact CE1-CB 4.31Å; F211-A215 HydrophobicContact CE2-CB 4.45Å; F211-A215 HydrophobicContact CZ-CB 4.21Å; F211-A215 WeakPolarHBondContact O-CB 3.25Å; F211-A215 PolarHBondContact O-N 3.14Å
212	L	95.4	Very high	93.9	Very high	6 Å²	6	25.1 Å²	25.1	3%	0.031	16%	0.159	C	C	.	.	H	α-helix	trans	-64.7	-40.3	175.4	-177.6	59.7	0	0	0	111.7	L131 K134 A135 N210 T216 F247	L131-L212 HydrophobicContact CD2-CB 4.16Å; L131-L212 HydrophobicContact CD2-CD1 4.35Å; K134-L212 HydrophobicContact CB-CD1 3.99Å; K134-L212 HydrophobicContact CD-CD1 3.94Å; K134-L212 HydrophobicContact CD-CD2 3.74Å; K134-L212 HydrophobicContact CG-CD1 3.96Å; A135-L212 HydrophobicContact CB-CD1 4.25Å; N210-L212 PolarHBondContact O-N 3.47Å; N210-L212 WeakPolarHBondContact OD1-CB 3.32Å; N210-L212 PolarHBondContact OD1-N 2.98Å; L212-T216 WeakPolarHBondContact O-CB 3.47Å; L212-T216 PolarHBondContact O-N 3.42Å; L212-T216 PolarHBondContact O-OG1 3.27Å; L212-F247 HydrophobicContact CD1-CE1 4.47Å; L212-F247 HydrophobicContact CD2-CD1 3.69Å; L212-F247 HydrophobicContact CD2-CE1 4.22Å; L212-F247 HydrophobicContact CG-CD1 3.76Å; L212-F247 HydrophobicContact CG-CE1 3.77Å
213	Y	94.6	Very high	94	Very high	22 Å²	22	25 Å²	25	9%	0.086	16%	0.158	C	C	.	.	H	α-helix	trans	-66.6	-54	179.3	-164.4	-75.4	0	0	0	109.9	N210 F211 A215 T216 H217 A233 Y239 G240 F247	N210-Y213 WeakPolarHBondContact O-CB 3.47Å; N210-Y213 PolarHBondContact O-N 2.91Å; F211-Y213 VanDerWaalsContact C-N 3.33Å; F211-Y213 PolarHBondContact O-N 3.35Å; Y213-A215 PolarHBondContact O-N 3.4Å; Y213-T216 PolarHBondContact O-N 2.73Å; Y213-T216 VanDerWaalsContact O-N 3.15Å; Y213-H217 PolarHBondContact O-N 2.95Å; Y213-A233 PolarHBondContact OH-O 3.32Å; Y213-Y239 HydrophobicContact CD1-CD1 4.11Å; Y213-Y239 HydrophobicContact CD1-CG 4.05Å; Y213-Y239 HydrophobicContact CE1-CD1 4.24Å; Y213-Y239 HydrophobicContact CE1-CG 4.44Å; Y213-G240 VanDerWaalsContact CE1-N 3.27Å; Y213-G240 VanDerWaalsContact CZ-N 3.27Å; Y213-G240 PolarHBondContact OH-N 3.21Å; Y213-F247 AromaticContact CD2-CD2 3.46Å; Y213-F247 HydrophobicContact CD2-CD2 3.46Å; Y213-F247 VanDerWaalsContact CD2-CD2 3.46Å; Y213-F247 AromaticContact CD2-CE2 3.13Å; Y213-F247 HydrophobicContact CD2-CE2 3.13Å; Y213-F247 HydrophobicContact CD2-CZ 4.01Å; Y213-F247 AromaticContact CE2-CD2 3.86Å; Y213-F247 HydrophobicContact CE2-CD2 3.86Å; Y213-F247 AromaticContact CE2-CE2 3.46Å; Y213-F247 HydrophobicContact CE2-CE2 3.46Å; Y213-F247 VanDerWaalsContact CE2-CE2 3.46Å; Y213-F247 HydrophobicContact CG-CD2 4.44Å; Y213-F247 AromaticContact CG-CE2 3.84Å; Y213-F247 HydrophobicContact CG-CE2 3.84Å; Y213-F247 HydrophobicContact CG-CZ 4.32Å
214	A	96	Very high	94.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-56.6	-49.9	178.6	0	0	0	0	0	111.4	F195 W201 I209 N210 T216 H217 E218 Y239	F195-A214 HydrophobicContact CD1-CB 4.45Å; F195-A214 HydrophobicContact CE1-CB 4.08Å; W201-A214 HydrophobicContact CH2-CB 4.05Å; W201-A214 HydrophobicContact CZ3-CB 3.54Å; I209-A214 HydrophobicContact CG2-CB 4.47Å; N210-A214 PolarHBondContact O-N 3.05Å; A214-T216 VanDerWaalsContact C-N 3.3Å; A214-T216 PolarHBondContact O-N 3.19Å; A214-H217 WeakPolarHBondContact O-CB 3.35Å; A214-H217 PolarHBondContact O-N 3.3Å; A214-H217 VanDerWaalsContact O-N 3.13Å; A214-E218 WeakPolarHBondContact O-CG 3.32Å; A214-E218 PolarHBondContact O-N 2.87Å; A214-Y239 HydrophobicContact CB-CD2 3.88Å; A214-Y239 HydrophobicContact CB-CE1 4.5Å; A214-Y239 HydrophobicContact CB-CE2 3.36Å
215	A	97.8	Very high	94.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-61.2	-37.8	178.7	0	0	0	0	0	112.7	A135 F195 F211 Y213 H217 L219	A135-A215 HydrophobicContact CB-CB 4.2Å; F195-A215 HydrophobicContact CE1-CB 4.29Å; F195-A215 HydrophobicContact CZ-CB 4.04Å; F211-A215 HydrophobicContact CE1-CB 4.31Å; F211-A215 HydrophobicContact CE2-CB 4.45Å; F211-A215 HydrophobicContact CZ-CB 4.21Å; F211-A215 WeakPolarHBondContact O-CB 3.25Å; F211-A215 PolarHBondContact O-N 3.14Å; Y213-A215 PolarHBondContact O-N 3.4Å; A215-H217 VanDerWaalsContact C-N 3.35Å; A215-L219 WeakPolarHBondContact O-CB 3.34Å; A215-L219 VanDerWaalsContact O-CD1 3.28Å; A215-L219 WeakPolarHBondContact O-CD1 3.48Å; A215-L219 WeakPolarHBondContact O-CG 3.48Å; A215-L219 PolarHBondContact O-N 3.37Å
216	T	97.7	Very high	94.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.6	-37.1	177.5	-52.4	0	0	0	0	111.6	A135 M138 W139 L212 Y213 A214 G220 V234 F247 L249	A135-T216 VanDerWaalsContact CB-OG1 3.28Å; A135-T216 WeakPolarHBondContact CB-OG1 3.06Å; M138-T216 HydrophobicContact CE-CG2 4.22Å; M138-T216 HydrophobicContact SD-CG2 4.46Å; W139-T216 HydrophobicContact CZ2-CG2 4.32Å; W139-T216 WeakPolarHBondContact CZ2-O 3.12Å; W139-T216 PolarHBondContact NE1-O 3.18Å; L212-T216 WeakPolarHBondContact O-CB 3.47Å; L212-T216 PolarHBondContact O-N 3.42Å; L212-T216 PolarHBondContact O-OG1 3.27Å; Y213-T216 PolarHBondContact O-N 2.73Å; Y213-T216 VanDerWaalsContact O-N 3.15Å; A214-T216 VanDerWaalsContact C-N 3.3Å; A214-T216 PolarHBondContact O-N 3.19Å; T216-G220 PolarHBondContact O-N 3.44Å; T216-G220 VanDerWaalsContact O-N 3.17Å; T216-V234 HydrophobicContact CG2-CG1 3.83Å; T216-F247 HydrophobicContact CG2-CE1 4.16Å; T216-F247 HydrophobicContact CG2-CZ 3.92Å; T216-F247 VanDerWaalsContact OG1-CE1 3.32Å; T216-F247 WeakPolarHBondContact OG1-CE1 3.29Å; T216-L249 HydrophobicContact CG2-CD2 3.95Å
217	H	97.5	Very high	95.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.7	-58.1	174.1	-176.3	106.3	0	0	0	111.6	C90 Y213 A214 A215 L219 G220 H221 H227 V234 M235 Y236 Y239	C90-H217 VanDerWaalsContact CB-NE2 3.32Å; C90-H217 WeakPolarHBondContact CB-NE2 3.34Å; Y213-H217 PolarHBondContact O-N 2.95Å; A214-H217 WeakPolarHBondContact O-CB 3.35Å; A214-H217 PolarHBondContact O-N 3.3Å; A214-H217 VanDerWaalsContact O-N 3.13Å; A215-H217 VanDerWaalsContact C-N 3.35Å; H217-L219 VanDerWaalsContact C-N 3.3Å; H217-L219 PolarHBondContact O-N 3.14Å; H217-G220 WeakPolarHBondContact O-CA 3.39Å; H217-G220 PolarHBondContact O-N 2.83Å; H217-H221 AromaticContact CD2-CD2 3.88Å; H217-H221 AromaticContact CD2-NE2 3.66Å; H217-H221 AromaticContact NE2-CD2 3.93Å; H217-H221 AromaticContact NE2-NE2 3.22Å; H217-H221 PolarHBondContact NE2-NE2 2.97Å; H217-H221 PolarHBondContact O-N 3.3Å; H217-H227 AromaticContact CE1-CD2 3.44Å; H217-H227 PolarHBondContact CE1-CD2 3.09Å; H217-H227 VanDerWaalsContact CE1-CD2 3.44Å; H217-H227 AromaticContact CE1-NE2 3.61Å; H217-H227 AromaticContact NE2-CD2 3.3Å; H217-H227 PolarHBondContact NE2-CD2 2.96Å; H217-H227 VanDerWaalsContact NE2-CD2 3.3Å; H217-H227 AromaticContact NE2-NE2 3.11Å; H217-H227 PolarHBondContact NE2-NE2 2.89Å; H217-H227 VanDerWaalsContact NE2-NE2 3.11Å; H217-V234 HydrophobicContact CB-CG1 4.34Å; H217-V234 PolarHBondContact ND1-O 3.47Å; H217-M235 WeakPolarHBondContact O-CE 3.38Å; H217-M235 VanDerWaalsContact O-SD 3.4Å; H217-Y236 PolarHBondContact CE1-O 3.39Å; H217-Y236 PolarHBondContact ND1-O 3.21Å; H217-Y239 HydrophobicContact CB-CE1 4.11Å; H217-Y239 AromaticContact CG-CE1 3.91Å
218	E	98.3	Very high	95.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-61.3	-40.1	-177.4	-61.3	-42.7	135.2	0	0	111.8	C90 A180 H181 A182 A193 F195 A214 G220 H221 S222 Y239	C90-E218 PolarHBondContact SG-OE1 3.35Å; C90-E218 VanDerWaalsContact SG-OE1 3.38Å; A180-E218 HydrophobicContact CB-CG 3.6Å; H181-E218 VanDerWaalsContact CA-OE2 3.3Å; H181-E218 WeakPolarHBondContact CA-OE2 3.33Å; A182-E218 HydrophobicContact CB-CB 3.98Å; A182-E218 VanDerWaalsContact CB-O 3.26Å; A182-E218 WeakPolarHBondContact CB-O 3.23Å; A182-E218 PolarHBondContact N-OE2 3.24Å; A193-E218 HydrophobicContact CB-CB 4.21Å; F195-E218 HydrophobicContact CE1-CB 4.42Å; F195-E218 HydrophobicContact CE1-CG 3.93Å; F195-E218 HydrophobicContact CZ-CB 4.09Å; F195-E218 HydrophobicContact CZ-CG 4.08Å; A214-E218 WeakPolarHBondContact O-CG 3.32Å; A214-E218 PolarHBondContact O-N 2.87Å; E218-G220 PolarHBondContact O-N 3.07Å; E218-H221 WeakPolarHBondContact O-CA 3.38Å; E218-H221 WeakPolarHBondContact O-CB 3.47Å; E218-H221 PolarHBondContact O-N 3.21Å; E218-H221 IonicContact OE2-CD2 3Å; E218-S222 PolarHBondContact O-N 2.96Å; E218-S222 PolarHBondContact O-OG 2.95Å; E218-Y239 PolarHBondContact OE1-OH 2.84Å
219	L	98.6	Very high	95.5	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-69.2	-17.7	175.4	-66.1	169.6	0	0	0	112.8	A135 L136 I157 I159 A193 A215 H217 L223	A135-L219 HydrophobicContact CB-CD1 3.88Å; L136-L219 HydrophobicContact CD2-CB 4.22Å; L136-L219 HydrophobicContact CD2-CD1 3.75Å; L136-L219 HydrophobicContact CD2-CD2 4.06Å; L136-L219 HydrophobicContact CD2-CG 4.24Å; L136-L219 HydrophobicContact CG-CD1 3.73Å; I157-L219 HydrophobicContact CG2-CD2 3.88Å; I159-L219 HydrophobicContact CD1-CD2 4.03Å; I159-L219 HydrophobicContact CG1-CD2 4.47Å; A193-L219 HydrophobicContact CB-CD2 4.44Å; A215-L219 WeakPolarHBondContact O-CB 3.34Å; A215-L219 VanDerWaalsContact O-CD1 3.28Å; A215-L219 WeakPolarHBondContact O-CD1 3.48Å; A215-L219 WeakPolarHBondContact O-CG 3.48Å; A215-L219 PolarHBondContact O-N 3.37Å; H217-L219 VanDerWaalsContact C-N 3.3Å; H217-L219 PolarHBondContact O-N 3.14Å; L219-L223 WeakPolarHBondContact O-CG 3.3Å; L219-L223 PolarHBondContact O-N 3.36Å
220	G	97.3	Very high	95.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-64.9	-44	166.2	0	0	0	0	0	111.5	T216 H217 E218 L223 G224 M225	T216-G220 PolarHBondContact O-N 3.44Å; T216-G220 VanDerWaalsContact O-N 3.17Å; H217-G220 WeakPolarHBondContact O-CA 3.39Å; H217-G220 PolarHBondContact O-N 2.83Å; E218-G220 PolarHBondContact O-N 3.07Å; G220-L223 CarbonylContact O-C 3.56Å; G220-L223 WeakPolarHBondContact O-CA 3.37Å; G220-L223 WeakPolarHBondContact O-CB 3.47Å; G220-L223 PolarHBondContact O-N 2.57Å; G220-G224 PolarHBondContact O-N 2.83Å; G220-M225 VanDerWaalsContact O-CB 3.24Å; G220-M225 WeakPolarHBondContact O-CB 3.42Å; G220-M225 WeakPolarHBondContact O-CG 3.28Å; G220-M225 PolarHBondContact O-N 3.34Å
221	H	96.8	Very high	95.3	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-63.1	-41.8	172.4	-64.7	-51.3	0	0	0	112.2	A182 H217 E218 L223 G224 M225 H227 M235	A182-H221 HydrophobicContact CB-CB 3.82Å; H217-H221 AromaticContact CD2-CD2 3.88Å; H217-H221 AromaticContact CD2-NE2 3.66Å; H217-H221 AromaticContact NE2-CD2 3.93Å; H217-H221 AromaticContact NE2-NE2 3.22Å; H217-H221 PolarHBondContact NE2-NE2 2.97Å; H217-H221 PolarHBondContact O-N 3.3Å; E218-H221 WeakPolarHBondContact O-CA 3.38Å; E218-H221 WeakPolarHBondContact O-CB 3.47Å; E218-H221 PolarHBondContact O-N 3.21Å; E218-H221 IonicContact OE2-CD2 3Å; H221-L223 PolarHBondContact O-N 3.05Å; H221-G224 PolarHBondContact O-N 3.15Å; H221-M225 PolarHBondContact ND1-O 3.38Å; H221-H227 AromaticContact CE1-CD2 3.37Å; H221-H227 PolarHBondContact CE1-CD2 3.29Å; H221-H227 AromaticContact CE1-NE2 3.64Å; H221-H227 AromaticContact NE2-CD2 3.35Å; H221-H227 PolarHBondContact NE2-CD2 3.18Å; H221-H227 AromaticContact NE2-NE2 3.21Å; H221-H227 PolarHBondContact NE2-NE2 3.46Å; H221-M235 WeakPolarHBondContact CE1-CE 3.37Å; H221-M235 WeakPolarHBondContact ND1-CE 3.49Å
222	S	97.7	Very high	95	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-14.5	171.2	-56.6	0	0	0	0	113.7	W107 F183 P185 G191 E218	W107-S222 PolarHBondContact NE1-O 3.17Å; F183-S222 WeakPolarHBondContact O-CA 3.36Å; P185-S222 WeakPolarHBondContact CG-O 3.47Å; G191-S222 WeakPolarHBondContact O-CB 3.35Å; G191-S222 PolarHBondContact O-OG 3.22Å; E218-S222 PolarHBondContact O-N 2.96Å; E218-S222 PolarHBondContact O-OG 2.95Å
223	L	96.9	Very high	94.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.4	1	174.3	-62.9	172.8	0	0	0	113.4	W139 L145 F147 L219 G220 H221 I257 Y261	W139-L223 HydrophobicContact CB-CD1 3.63Å; W139-L223 HydrophobicContact CD2-CD1 4.17Å; W139-L223 HydrophobicContact CG-CD1 3.64Å; L145-L223 HydrophobicContact CD1-CD2 4.01Å; F147-L223 HydrophobicContact CE1-CD2 3.75Å; F147-L223 HydrophobicContact CZ-CD1 4.02Å; F147-L223 HydrophobicContact CZ-CD2 3.69Å; F147-L223 HydrophobicContact CZ-CG 4.46Å; L219-L223 WeakPolarHBondContact O-CG 3.3Å; L219-L223 PolarHBondContact O-N 3.36Å; G220-L223 CarbonylContact O-C 3.56Å; G220-L223 WeakPolarHBondContact O-CA 3.37Å; G220-L223 WeakPolarHBondContact O-CB 3.47Å; G220-L223 PolarHBondContact O-N 2.57Å; H221-L223 PolarHBondContact O-N 3.05Å; L223-I257 HydrophobicContact CB-CD1 3.81Å; L223-I257 HydrophobicContact CD1-CD1 4.21Å; L223-Y261 HydrophobicContact CB-CE2 4.27Å; L223-Y261 WeakPolarHBondContact O-CE2 3.12Å; L223-Y261 VanDerWaalsContact O-CZ 3.32Å; L223-Y261 PolarHBondContact O-OH 2.57Å
224	G	93.8	Very high	94.9	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.01	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	10.5	177.6	0	0	0	0	0	114.6	P105 P185 G220 H221	P105-G224 WeakPolarHBondContact O-CA 3.3Å; P185-G224 VanDerWaalsContact CD-N 3.35Å; G220-G224 PolarHBondContact O-N 2.83Å; H221-G224 PolarHBondContact O-N 3.15Å
225	M	93.8	Very high	94.9	Very high	14 Å²	14	19.4 Å²	19.4	7%	0.069	12%	0.118	C	C	.	.			trans	-74	139.9	172.8	-61.1	-70.9	-73	0	0	110.3	W139 G220 H221 M235 D253 G256 I257 L260	W139-M225 HydrophobicContact CH2-CE 4.5Å; G220-M225 VanDerWaalsContact O-CB 3.24Å; G220-M225 WeakPolarHBondContact O-CB 3.42Å; G220-M225 WeakPolarHBondContact O-CG 3.28Å; G220-M225 PolarHBondContact O-N 3.34Å; H221-M225 PolarHBondContact ND1-O 3.38Å; M225-M235 HydrophobicContact CB-CE 4Å; M225-M235 HydrophobicContact CB-CG 4.21Å; M225-M235 HydrophobicContact CB-SD 4.21Å; M225-M235 HydrophobicContact CE-CG 4.26Å; M225-D253 WeakPolarHBondContact CE-O 3.48Å; M225-G256 VanDerWaalsContact SD-C 3.53Å; M225-I257 HydrophobicContact CE-CB 4.23Å; M225-I257 HydrophobicContact CG-CD1 3.6Å; M225-I257 WeakPolarHBondContact SD-CA 3.19Å; M225-I257 HydrophobicContact SD-CB 3.69Å; M225-I257 HydrophobicContact SD-CD1 3.67Å; M225-I257 HydrophobicContact SD-CG1 4.27Å; M225-I257 PolarHBondContact SD-N 3.38Å; M225-L260 HydrophobicContact SD-CD1 4.01Å
226	G	92.1	Very high	94.7	Very high	16 Å²	16	20.9 Å²	20.9	17%	0.165	12%	0.123	C	C	.	.			trans	-89.8	177	163.1	0	0	0	0	0	111.5
227	H	93.8	Very high	94.5	Very high	24 Å²	24	20.9 Å²	20.9	11%	0.111	12%	0.123	C	C	.	.			trans	-64.6	149.2	171.6	-68.5	152.2	0	0	0	111.8	F68 C90 V92 D94 H217 H221 M235	F68-H227 HydrophobicContact CE2-CB 4.17Å; F68-H227 HydrophobicContact CZ-CB 3.68Å; C90-H227 WeakPolarHBondContact CB-NE2 3.19Å; C90-H227 PolarHBondContact SG-NE2 3.38Å; C90-H227 VanDerWaalsContact SG-NE2 3.39Å; V92-H227 PolarHBondContact O-CE1 3.3Å; D94-H227 IonicContact OD1-CE1 2.84Å; D94-H227 PolarHBondContact OD1-CE1 3.43Å; D94-H227 IonicContact OD1-CG 2.71Å; D94-H227 IonicContact OD1-ND1 2.62Å; D94-H227 PolarHBondContact OD1-ND1 2.98Å; H217-H227 AromaticContact CE1-CD2 3.44Å; H217-H227 PolarHBondContact CE1-CD2 3.09Å; H217-H227 VanDerWaalsContact CE1-CD2 3.44Å; H217-H227 AromaticContact CE1-NE2 3.61Å; H217-H227 AromaticContact NE2-CD2 3.3Å; H217-H227 PolarHBondContact NE2-CD2 2.96Å; H217-H227 VanDerWaalsContact NE2-CD2 3.3Å; H217-H227 AromaticContact NE2-NE2 3.11Å; H217-H227 PolarHBondContact NE2-NE2 2.89Å; H217-H227 VanDerWaalsContact NE2-NE2 3.11Å; H221-H227 AromaticContact CE1-CD2 3.37Å; H221-H227 PolarHBondContact CE1-CD2 3.29Å; H221-H227 AromaticContact CE1-NE2 3.64Å; H221-H227 AromaticContact NE2-CD2 3.35Å; H221-H227 PolarHBondContact NE2-CD2 3.18Å; H221-H227 AromaticContact NE2-NE2 3.21Å; H221-H227 PolarHBondContact NE2-NE2 3.46Å; H227-M235 CarbonylContact C-O 3.56Å; H227-M235 WeakPolarHBondContact CA-O 3.29Å; H227-M235 PolarHBondContact CD2-O 2.86Å
228	S	93.3	Very high	94.2	Very high	9 Å²	9	21.8 Å²	21.8	6%	0.063	13%	0.129	C	C	.	.			trans	-97.6	147.6	171	-178.1	0	0	0	0	110.6	F68 D230 M235 Y236 D252	F68-S228 WeakPolarHBondContact CZ-O 3.43Å; S228-D230 VanDerWaalsContact C-N 3.34Å; S228-D230 PolarHBondContact OG-N 2.88Å; S228-M235 PolarHBondContact N-O 3.05Å; S228-Y236 VanDerWaalsContact O-CD2 3.32Å; S228-Y236 WeakPolarHBondContact O-CD2 3.42Å; S228-D252 VanDerWaalsContact CB-OD2 3.28Å; S228-D252 WeakPolarHBondContact CB-OD2 3.25Å; S228-D252 PolarHBondContact OG-OD2 3.29Å
229	S	92.7	Very high	93.2	Very high	75 Å²	75	22.8 Å²	22.8	52%	0.524	13%	0.133	S	C	.	.	S	Bend	trans	-84.8	-6.9	168.5	57.9	0	0	0	0	113.1	F68 P231	F68-S229 WeakPolarHBondContact O-CB 3.36Å; S229-P231 WeakPolarHBondContact O-CD 3.26Å
230	D	91.9	Very high	91.6	Very high	55 Å²	55	24.2 Å²	24.2	29%	0.294	15%	0.147	S	C	.	.			trans	-78.1	115.8	175.3	-178.7	-6.5	0	0	0	109.6	S228 N232 A233 Y236	S228-D230 VanDerWaalsContact C-N 3.34Å; S228-D230 PolarHBondContact OG-N 2.88Å; D230-N232 PolarHBondContact O-N 3.14Å; D230-N232 WeakPolarHBondContact OD1-CB 3.46Å; D230-N232 PolarHBondContact OD1-N 3.49Å; D230-N232 PolarHBondContact OD1-ND2 3.14Å; D230-A233 HydrophobicContact CB-CB 4.07Å; D230-A233 VanDerWaalsContact O-CB 3.3Å; D230-A233 WeakPolarHBondContact O-CB 3.36Å; D230-A233 PolarHBondContact O-N 2.91Å; D230-Y236 WeakPolarHBondContact O-CB 3.46Å; D230-Y236 WeakPolarHBondContact O-CD2 3.28Å
231	P	90.3	Very high	89.7	Confident	80 Å²	80	32.6 Å²	32.6	52%	0.519	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-10.5	-179.5	27.6	-36.1	0	0	0	114.2	S229 Y236	S229-P231 WeakPolarHBondContact O-CD 3.26Å; P231-Y236 HydrophobicContact CB-CD2 4.44Å; P231-Y236 HydrophobicContact CB-CE1 4.36Å; P231-Y236 HydrophobicContact CB-CE2 4.16Å
232	N	89.7	Confident	87.7	Confident	128 Å²	128	34.8 Å²	34.8	68%	0.684	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-4.6	175.1	-51.2	-73.8	0	0	0	113.1	D230	D230-N232 PolarHBondContact O-N 3.14Å; D230-N232 WeakPolarHBondContact OD1-CB 3.46Å; D230-N232 PolarHBondContact OD1-N 3.49Å; D230-N232 PolarHBondContact OD1-ND2 3.14Å
233	A	93.1	Very high	85.9	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.235	C	C	.	.	S	Bend	trans	-75.4	146.9	177.1	0	0	0	0	0	111.4	Y213 D230 M235 Y236 S250	Y213-A233 PolarHBondContact OH-O 3.32Å; D230-A233 HydrophobicContact CB-CB 4.07Å; D230-A233 VanDerWaalsContact O-CB 3.3Å; D230-A233 WeakPolarHBondContact O-CB 3.36Å; D230-A233 PolarHBondContact O-N 2.91Å; A233-M235 PolarHBondContact O-N 3.28Å; A233-Y236 VanDerWaalsContact O-CB 3.3Å; A233-Y236 WeakPolarHBondContact O-CB 3.18Å; A233-Y236 PolarHBondContact O-N 2.8Å; A233-S250 WeakPolarHBondContact CA-OG 3.13Å
234	V	94.3	Very high	84.3	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.012	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-35.7	170.8	176	0	0	0	0	110	T216 H217 Y236 F247 L249 D253	T216-V234 HydrophobicContact CG2-CG1 3.83Å; H217-V234 HydrophobicContact CB-CG1 4.34Å; H217-V234 PolarHBondContact ND1-O 3.47Å; V234-Y236 PolarHBondContact O-N 2.89Å; V234-F247 HydrophobicContact CG1-CE2 4.34Å; V234-F247 HydrophobicContact CG1-CZ 4.11Å; V234-F247 HydrophobicContact CG2-CE2 3.7Å; V234-F247 HydrophobicContact CG2-CZ 4.01Å; V234-L249 HydrophobicContact CB-CD2 4.33Å; V234-L249 HydrophobicContact CG2-CD2 4.07Å; V234-D253 PolarHBondContact N-OD1 3.15Å; V234-D253 PolarHBondContact N-OD2 3.14Å
235	M	94.9	Very high	82.9	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	8.9	175.8	-62.2	-51.3	-55.9	0	0	114.2	W139 H217 H221 M225 H227 S228 A233 D253	W139-M235 HydrophobicContact CH2-CG 4.13Å; W139-M235 HydrophobicContact CH2-SD 4.17Å; W139-M235 HydrophobicContact CZ2-CG 4.47Å; W139-M235 HydrophobicContact CZ2-SD 3.94Å; H217-M235 WeakPolarHBondContact O-CE 3.38Å; H217-M235 VanDerWaalsContact O-SD 3.4Å; H221-M235 WeakPolarHBondContact CE1-CE 3.37Å; H221-M235 WeakPolarHBondContact ND1-CE 3.49Å; M225-M235 HydrophobicContact CB-CE 4Å; M225-M235 HydrophobicContact CB-CG 4.21Å; M225-M235 HydrophobicContact CB-SD 4.21Å; M225-M235 HydrophobicContact CE-CG 4.26Å; H227-M235 CarbonylContact C-O 3.56Å; H227-M235 WeakPolarHBondContact CA-O 3.29Å; H227-M235 PolarHBondContact CD2-O 2.86Å; S228-M235 PolarHBondContact N-O 3.05Å; A233-M235 PolarHBondContact O-N 3.28Å; M235-D253 WeakPolarHBondContact CB-OD1 3.43Å; M235-D253 WeakPolarHBondContact CG-OD1 3.49Å; M235-D253 PolarHBondContact N-OD1 3.11Å
236	Y	94.4	Very high	81.8	Confident	31 Å²	31	54.4 Å²	54.4	12%	0.122	32%	0.318	C	S	.	.	S	Bend	trans	-68.4	134.9	169.5	-166.8	-108.1	0	0	0	110	F69 H217 S228 D230 P231 A233 V234 T238	F69-Y236 HydrophobicContact CD1-CE2 4.5Å; F69-Y236 AromaticContact CD1-CZ 3.94Å; F69-Y236 WeakPolarHBondContact CD1-OH 3.46Å; F69-Y236 HydrophobicContact CE1-CE1 4.44Å; F69-Y236 AromaticContact CE1-CZ 3.92Å; H217-Y236 PolarHBondContact CE1-O 3.39Å; H217-Y236 PolarHBondContact ND1-O 3.21Å; S228-Y236 VanDerWaalsContact O-CD2 3.32Å; S228-Y236 WeakPolarHBondContact O-CD2 3.42Å; D230-Y236 WeakPolarHBondContact O-CB 3.46Å; D230-Y236 WeakPolarHBondContact O-CD2 3.28Å; P231-Y236 HydrophobicContact CB-CD2 4.44Å; P231-Y236 HydrophobicContact CB-CE1 4.36Å; P231-Y236 HydrophobicContact CB-CE2 4.16Å; A233-Y236 VanDerWaalsContact O-CB 3.3Å; A233-Y236 WeakPolarHBondContact O-CB 3.18Å; A233-Y236 PolarHBondContact O-N 2.8Å; V234-Y236 PolarHBondContact O-N 2.89Å; Y236-T238 VanDerWaalsContact CD1-OG1 3.29Å; Y236-T238 WeakPolarHBondContact CD1-OG1 3.19Å; Y236-T238 WeakPolarHBondContact CE1-OG1 3.33Å; Y236-T238 PolarHBondContact O-N 2.97Å
237	P	93.8	Very high	81.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	32%	0.317	C	S	.	.	S	Bend	trans	-66.1	-32	-165.9	20.3	-32.5	0	0	0	115.1	F68 F69 R89 C90	F68-P237 HydrophobicContact CE1-CG 3.74Å; F68-P237 HydrophobicContact CZ-CG 4.25Å; F69-P237 HydrophobicContact CE1-CG 4.17Å; F69-P237 HydrophobicContact CZ-CG 3.86Å; R89-P237 CarbonylContact C-O 3.54Å; R89-P237 VanDerWaalsContact CA-O 3.25Å; R89-P237 WeakPolarHBondContact CA-O 3.16Å; R89-P237 WeakPolarHBondContact CB-O 3.44Å; C90-P237 PolarHBondContact N-O 3.2Å
238	T	89.9	Confident	81.4	Confident	19 Å²	19	61.7 Å²	61.7	12%	0.117	35%	0.345	C	S	.	.	S	Bend	trans	-87.3	123.1	173.9	62.4	0	0	0	0	108.5	K87 R89 Y236 G240	K87-T238 HydrophobicContact CB-CG2 3.87Å; K87-T238 HydrophobicContact CD-CG2 4.36Å; R89-T238 HydrophobicContact CB-CG2 4.09Å; Y236-T238 VanDerWaalsContact CD1-OG1 3.29Å; Y236-T238 WeakPolarHBondContact CD1-OG1 3.19Å; Y236-T238 WeakPolarHBondContact CE1-OG1 3.33Å; Y236-T238 PolarHBondContact O-N 2.97Å; T238-G240 PolarHBondContact O-N 3.19Å
239	Y	78.8	Confident	81.5	Confident	22 Å²	22	62 Å²	62	9%	0.086	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-60	126.3	-178.4	-60.2	-19.6	0	0	0	110.9	C90 L179 A180 I209 Y213 A214 H217 E218 N241	C90-Y239 HydrophobicContact CB-CE1 4.15Å; L179-Y239 HydrophobicContact CB-CD2 4.25Å; L179-Y239 HydrophobicContact CB-CE2 3.46Å; L179-Y239 VanDerWaalsContact CB-CE2 3.46Å; L179-Y239 HydrophobicContact CD1-CD2 3.16Å; L179-Y239 HydrophobicContact CD1-CE2 3.29Å; L179-Y239 HydrophobicContact CD1-CG 4.01Å; L179-Y239 HydrophobicContact CG-CD2 4.33Å; L179-Y239 HydrophobicContact CG-CE2 4.01Å; A180-Y239 VanDerWaalsContact CB-OH 3.28Å; A180-Y239 WeakPolarHBondContact CB-OH 3.49Å; I209-Y239 HydrophobicContact CG2-CD2 3.73Å; I209-Y239 HydrophobicContact CG2-CE2 4.13Å; Y213-Y239 HydrophobicContact CD1-CD1 4.11Å; Y213-Y239 HydrophobicContact CD1-CG 4.05Å; Y213-Y239 HydrophobicContact CE1-CD1 4.24Å; Y213-Y239 HydrophobicContact CE1-CG 4.44Å; A214-Y239 HydrophobicContact CB-CD2 3.88Å; A214-Y239 HydrophobicContact CB-CE1 4.5Å; A214-Y239 HydrophobicContact CB-CE2 3.36Å; H217-Y239 HydrophobicContact CB-CE1 4.11Å; H217-Y239 AromaticContact CG-CE1 3.91Å; E218-Y239 PolarHBondContact OE1-OH 2.84Å; Y239-N241 PolarHBondContact O-N 2.91Å
240	G	64.8	Low	81.6	Confident	30 Å²	30	59.3 Å²	59.3	31%	0.309	33%	0.326	S	S	.	.	P	Polyproline II helix	trans	-65.4	128.3	-179.3	0	0	0	0	0	111	Y213 T238 G242	Y213-G240 VanDerWaalsContact CE1-N 3.27Å; Y213-G240 VanDerWaalsContact CZ-N 3.27Å; Y213-G240 PolarHBondContact OH-N 3.21Å; T238-G240 PolarHBondContact O-N 3.19Å; G240-G242 PolarHBondContact O-N 2.91Å
241	N	56.3	Low	81.8	Confident	176 Å²	176	62 Å²	62	94%	0.941	34%	0.337	S	S	*	.			trans	-70.3	29.2	165.1	-69.1	-26.8	0	0	0	112.2	Y239	Y239-N241 PolarHBondContact O-N 2.91Å
242	G	56.2	Low	82	Confident	48 Å²	48	61.6 Å²	61.6	50%	0.495	33%	0.331	S	S	.	.			trans	-67.5	158	-175.8	0	0	0	0	0	112	G240 P244	G240-G242 PolarHBondContact O-N 2.91Å; G242-P244 WeakPolarHBondContact O-CD 2.94Å; G242-P244 VanDerWaalsContact O-N 3.09Å
243	D	60.3	Low	82.3	Confident	78 Å²	78	55.5 Å²	55.5	42%	0.417	30%	0.298	S	S	.	.			trans	-55.3	112.9	175.9	174.2	13	0	0	0	110.8	Q245 N246 F247	D243-Q245 PolarHBondContact O-N 2.83Å; D243-Q245 VanDerWaalsContact OD1-CB 3.28Å; D243-Q245 WeakPolarHBondContact OD1-CB 3.42Å; D243-Q245 WeakPolarHBondContact OD1-CG 3.46Å; D243-Q245 PolarHBondContact OD1-N 2.78Å; D243-N246 PolarHBondContact O-N 2.95Å; D243-N246 PolarHBondContact OD2-ND2 3.02Å; D243-F247 PolarHBondContact O-N 3.25Å
244	P	62.1	Low	82.5	Confident	55 Å²	55	56.7 Å²	56.7	36%	0.357	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-56.9	-24.2	179.1	-24	34.2	0	0	0	113.3	G242 N246	G242-P244 WeakPolarHBondContact O-CD 2.94Å; G242-P244 VanDerWaalsContact O-N 3.09Å; P244-N246 VanDerWaalsContact C-N 3.34Å
245	Q	63.9	Low	82.6	Confident	176 Å²	176	62.8 Å²	62.8	82%	0.822	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-74.4	-24.9	-178.8	-56.3	-170.6	30.7	0	0	112.8	D243	D243-Q245 PolarHBondContact O-N 2.83Å; D243-Q245 VanDerWaalsContact OD1-CB 3.28Å; D243-Q245 WeakPolarHBondContact OD1-CB 3.42Å; D243-Q245 WeakPolarHBondContact OD1-CG 3.46Å; D243-Q245 PolarHBondContact OD1-N 2.78Å
246	N	71.3	Confident	82.5	Confident	118 Å²	118	64 Å²	64	63%	0.631	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-112	14.5	-177.9	-75.1	-56.1	0	0	0	113.6	D243 P244 K248	D243-N246 PolarHBondContact O-N 2.95Å; D243-N246 PolarHBondContact OD2-ND2 3.02Å; P244-N246 VanDerWaalsContact C-N 3.34Å; N246-K248 PolarHBondContact O-N 3.38Å
247	F	87.2	Confident	82.6	Confident	33 Å²	33	62.5 Å²	62.5	15%	0.145	34%	0.338	C	S	.	.			trans	-61.2	118.2	-179	-179.3	-115.6	0	0	0	112.4	M138 L212 Y213 T216 V234 D243	M138-F247 HydrophobicContact CE-CD1 3.76Å; M138-F247 HydrophobicContact CE-CE1 3.47Å; M138-F247 VanDerWaalsContact CE-CE1 3.47Å; M138-F247 HydrophobicContact CE-CZ 4.04Å; M138-F247 HydrophobicContact SD-CD1 3.9Å; M138-F247 HydrophobicContact SD-CE1 3.64Å; L212-F247 HydrophobicContact CD1-CE1 4.47Å; L212-F247 HydrophobicContact CD2-CD1 3.69Å; L212-F247 HydrophobicContact CD2-CE1 4.22Å; L212-F247 HydrophobicContact CG-CD1 3.76Å; L212-F247 HydrophobicContact CG-CE1 3.77Å; Y213-F247 AromaticContact CD2-CD2 3.46Å; Y213-F247 HydrophobicContact CD2-CD2 3.46Å; Y213-F247 VanDerWaalsContact CD2-CD2 3.46Å; Y213-F247 AromaticContact CD2-CE2 3.13Å; Y213-F247 HydrophobicContact CD2-CE2 3.13Å; Y213-F247 HydrophobicContact CD2-CZ 4.01Å; Y213-F247 AromaticContact CE2-CD2 3.86Å; Y213-F247 HydrophobicContact CE2-CD2 3.86Å; Y213-F247 AromaticContact CE2-CE2 3.46Å; Y213-F247 HydrophobicContact CE2-CE2 3.46Å; Y213-F247 VanDerWaalsContact CE2-CE2 3.46Å; Y213-F247 HydrophobicContact CG-CD2 4.44Å; Y213-F247 AromaticContact CG-CE2 3.84Å; Y213-F247 HydrophobicContact CG-CE2 3.84Å; Y213-F247 HydrophobicContact CG-CZ 4.32Å; T216-F247 HydrophobicContact CG2-CE1 4.16Å; T216-F247 HydrophobicContact CG2-CZ 3.92Å; T216-F247 VanDerWaalsContact OG1-CE1 3.32Å; T216-F247 WeakPolarHBondContact OG1-CE1 3.29Å; V234-F247 HydrophobicContact CG1-CE2 4.34Å; V234-F247 HydrophobicContact CG1-CZ 4.11Å; V234-F247 HydrophobicContact CG2-CE2 3.7Å; V234-F247 HydrophobicContact CG2-CZ 4.01Å; D243-F247 PolarHBondContact O-N 3.25Å
248	K	91.6	Very high	82.6	Confident	160 Å²	160	64.1 Å²	64.1	70%	0.696	35%	0.345	S	S	*	.			trans	-150.8	158.4	-178	64.8	-174.3	178	-176.2	0	110.4	N246	N246-K248 PolarHBondContact O-N 3.38Å
249	L	94.8	Very high	82.8	Confident	16 Å²	16	72 Å²	72	8%	0.084	38%	0.378	C	S	.	.			trans	-63.5	137.5	170.8	-61.3	178.1	0	0	0	109.9	M138 W139 E142 T216 V234 D253 I254	M138-L249 HydrophobicContact CB-CD1 4.43Å; M138-L249 HydrophobicContact CB-CG 4.4Å; M138-L249 HydrophobicContact CE-CD2 4.35Å; M138-L249 HydrophobicContact CE-CG 4.22Å; W139-L249 HydrophobicContact CD2-CD1 4.12Å; W139-L249 HydrophobicContact CD2-CD2 4.12Å; W139-L249 HydrophobicContact CE3-CD1 3.65Å; W139-L249 HydrophobicContact CE3-CD2 4.04Å; W139-L249 HydrophobicContact CH2-CD2 3.69Å; W139-L249 HydrophobicContact CZ2-CD2 3.75Å; W139-L249 HydrophobicContact CZ3-CD1 3.94Å; W139-L249 HydrophobicContact CZ3-CD2 3.84Å; E142-L249 HydrophobicContact CG-CD1 3.95Å; T216-L249 HydrophobicContact CG2-CD2 3.95Å; V234-L249 HydrophobicContact CB-CD2 4.33Å; V234-L249 HydrophobicContact CG2-CD2 4.07Å; L249-D253 HydrophobicContact CB-CB 4.23Å; L249-D253 HydrophobicContact CD2-CB 4.39Å; L249-I254 HydrophobicContact CB-CD1 4.35Å; L249-I254 HydrophobicContact CB-CG1 3.95Å
250	S	94.5	Very high	83.4	Confident	17 Å²	17	71.9 Å²	71.9	12%	0.119	38%	0.378	C	S	.	.			trans	-74.9	169.3	172.8	76.8	0	0	0	0	110.9	A233 D252 D253 I254	A233-S250 WeakPolarHBondContact CA-OG 3.13Å; S250-D252 PolarHBondContact O-N 2.78Å; S250-D252 PolarHBondContact OG-N 2.81Å; S250-D253 WeakPolarHBondContact CA-OD2 3.29Å; S250-D253 WeakPolarHBondContact CB-OD2 3.46Å; S250-D253 PolarHBondContact N-OD2 3.41Å; S250-D253 PolarHBondContact O-N 3.3Å; S250-D253 PolarHBondContact OG-N 3.09Å; S250-D253 VanDerWaalsContact OG-N 3.15Å; S250-D253 PolarHBondContact OG-OD2 2.92Å; S250-I254 VanDerWaalsContact O-CG1 3.25Å; S250-I254 WeakPolarHBondContact O-CG1 3.14Å; S250-I254 PolarHBondContact O-N 2.99Å; S250-I254 VanDerWaalsContact O-N 3.09Å
251	Q	95.6	Very high	84.8	Confident	112 Å²	112	71.7 Å²	71.7	52%	0.523	37%	0.369	S	S	.	.	H	α-helix	trans	-68	-27.6	176.9	-170.4	55.4	74.7	0	0	112.6	K255	Q251-K255 HydrophobicContact CG-CD 4.34Å; Q251-K255 WeakPolarHBondContact O-CB 3.44Å; Q251-K255 VanDerWaalsContact O-CG 3.26Å; Q251-K255 WeakPolarHBondContact O-CG 3.31Å; Q251-K255 PolarHBondContact O-N 3.39Å; Q251-K255 VanDerWaalsContact O-N 3.12Å
252	D	95	Very high	86.6	Confident	71 Å²	71	64.9 Å²	64.9	38%	0.38	34%	0.339	S	S	.	.	H	α-helix	trans	-67.8	-49.1	174.2	-171	62.5	0	0	0	110.6	S228 S250 I254 K255 G256	S228-D252 VanDerWaalsContact CB-OD2 3.28Å; S228-D252 WeakPolarHBondContact CB-OD2 3.25Å; S228-D252 PolarHBondContact OG-OD2 3.29Å; S250-D252 PolarHBondContact O-N 2.78Å; S250-D252 PolarHBondContact OG-N 2.81Å; D252-I254 VanDerWaalsContact C-N 3.33Å; D252-I254 PolarHBondContact O-N 3.07Å; D252-K255 PolarHBondContact O-N 3.21Å; D252-K255 VanDerWaalsContact O-N 3.16Å; D252-G256 PolarHBondContact O-N 3.46Å
253	D	96.2	Very high	88.4	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-54.7	-48.5	176	-58.8	-56.4	0	0	0	111.3	W139 M225 V234 M235 L249 S250 K255 G256 I257	W139-D253 HydrophobicContact CH2-CB 3.93Å; W139-D253 HydrophobicContact CZ3-CB 4.09Å; M225-D253 WeakPolarHBondContact CE-O 3.48Å; V234-D253 PolarHBondContact N-OD1 3.15Å; V234-D253 PolarHBondContact N-OD2 3.14Å; M235-D253 WeakPolarHBondContact CB-OD1 3.43Å; M235-D253 WeakPolarHBondContact CG-OD1 3.49Å; M235-D253 PolarHBondContact N-OD1 3.11Å; L249-D253 HydrophobicContact CB-CB 4.23Å; L249-D253 HydrophobicContact CD2-CB 4.39Å; S250-D253 WeakPolarHBondContact CA-OD2 3.29Å; S250-D253 WeakPolarHBondContact CB-OD2 3.46Å; S250-D253 PolarHBondContact N-OD2 3.41Å; S250-D253 PolarHBondContact O-N 3.3Å; S250-D253 PolarHBondContact OG-N 3.09Å; S250-D253 VanDerWaalsContact OG-N 3.15Å; S250-D253 PolarHBondContact OG-OD2 2.92Å; D253-K255 PolarHBondContact O-N 3.41Å; D253-G256 PolarHBondContact O-N 3.04Å; D253-I257 WeakPolarHBondContact O-CG2 3.22Å; D253-I257 PolarHBondContact O-N 3.01Å
254	I	97.3	Very high	89.7	Confident	25 Å²	25	70.6 Å²	70.6	13%	0.128	35%	0.345	C	S	.	.	H	α-helix	trans	-61.9	-44	-179.7	-66.4	167.1	0	0	0	111.1	E142 L249 S250 D252 I257 Q258	E142-I254 HydrophobicContact CG-CG1 4.12Å; L249-I254 HydrophobicContact CB-CD1 4.35Å; L249-I254 HydrophobicContact CB-CG1 3.95Å; S250-I254 VanDerWaalsContact O-CG1 3.25Å; S250-I254 WeakPolarHBondContact O-CG1 3.14Å; S250-I254 PolarHBondContact O-N 2.99Å; S250-I254 VanDerWaalsContact O-N 3.09Å; D252-I254 VanDerWaalsContact C-N 3.33Å; D252-I254 PolarHBondContact O-N 3.07Å; I254-I257 WeakPolarHBondContact O-CG2 3.27Å; I254-Q258 HydrophobicContact CG2-CG 4.45Å; I254-Q258 VanDerWaalsContact O-CB 3.25Å; I254-Q258 WeakPolarHBondContact O-CB 3.36Å; I254-Q258 WeakPolarHBondContact O-CG 3.38Å; I254-Q258 PolarHBondContact O-N 3.01Å; I254-Q258 VanDerWaalsContact O-N 3.08Å
255	K	95.1	Very high	90.4	Very high	131 Å²	131	72.5 Å²	72.5	57%	0.57	36%	0.359	S	S	*	.	H	α-helix	trans	-67.3	-43.3	179.3	-77.1	170.1	-178.7	173	0	111.2	Q251 D252 D253 Q258 K259	Q251-K255 HydrophobicContact CG-CD 4.34Å; Q251-K255 WeakPolarHBondContact O-CB 3.44Å; Q251-K255 VanDerWaalsContact O-CG 3.26Å; Q251-K255 WeakPolarHBondContact O-CG 3.31Å; Q251-K255 PolarHBondContact O-N 3.39Å; Q251-K255 VanDerWaalsContact O-N 3.12Å; D252-K255 PolarHBondContact O-N 3.21Å; D252-K255 VanDerWaalsContact O-N 3.16Å; D253-K255 PolarHBondContact O-N 3.41Å; K255-Q258 PolarHBondContact O-N 3.08Å; K255-K259 PolarHBondContact O-N 3.4Å
256	G	93.8	Very high	90.1	Very high	26 Å²	26	71 Å²	71	27%	0.268	36%	0.357	S	S	.	.	H	α-helix	trans	-61	-49.6	179	0	0	0	0	0	111.6	M225 D252 D253 Q258 K259 L260	M225-G256 VanDerWaalsContact SD-C 3.53Å; D252-G256 PolarHBondContact O-N 3.46Å; D253-G256 PolarHBondContact O-N 3.04Å; G256-Q258 VanDerWaalsContact C-N 3.35Å; G256-Q258 PolarHBondContact O-N 3.04Å; G256-K259 VanDerWaalsContact O-CB 3.3Å; G256-K259 WeakPolarHBondContact O-CB 3.44Å; G256-K259 PolarHBondContact O-N 2.62Å; G256-K259 VanDerWaalsContact O-N 3.13Å; G256-L260 PolarHBondContact O-N 2.85Å
257	I	95.6	Very high	89.1	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-68.5	-35.9	-178.1	-163.4	71.5	0	0	0	111.8	W139 E142 I143 L223 M225 D253 I254 K259 L260 Y261	W139-I257 HydrophobicContact CE3-CB 4.12Å; W139-I257 HydrophobicContact CE3-CD1 4.39Å; W139-I257 HydrophobicContact CE3-CG1 3.99Å; W139-I257 HydrophobicContact CE3-CG2 4.08Å; W139-I257 HydrophobicContact CZ3-CB 3.95Å; W139-I257 HydrophobicContact CZ3-CG1 4.28Å; W139-I257 HydrophobicContact CZ3-CG2 4.04Å; E142-I257 HydrophobicContact CB-CG2 4.46Å; I143-I257 HydrophobicContact CD1-CD1 4.32Å; I143-I257 HydrophobicContact CD1-CG1 3.87Å; I143-I257 HydrophobicContact CG2-CB 4.28Å; I143-I257 HydrophobicContact CG2-CG1 3.72Å; I143-I257 HydrophobicContact CG2-CG2 3.83Å; L223-I257 HydrophobicContact CB-CD1 3.81Å; L223-I257 HydrophobicContact CD1-CD1 4.21Å; M225-I257 HydrophobicContact CE-CB 4.23Å; M225-I257 HydrophobicContact CG-CD1 3.6Å; M225-I257 WeakPolarHBondContact SD-CA 3.19Å; M225-I257 HydrophobicContact SD-CB 3.69Å; M225-I257 HydrophobicContact SD-CD1 3.67Å; M225-I257 HydrophobicContact SD-CG1 4.27Å; M225-I257 PolarHBondContact SD-N 3.38Å; D253-I257 WeakPolarHBondContact O-CG2 3.22Å; D253-I257 PolarHBondContact O-N 3.01Å; I254-I257 WeakPolarHBondContact O-CG2 3.27Å; I257-K259 VanDerWaalsContact C-N 3.29Å; I257-K259 PolarHBondContact O-N 3.11Å; I257-L260 PolarHBondContact O-N 3.23Å; I257-L260 VanDerWaalsContact O-N 3.16Å; I257-Y261 HydrophobicContact CD1-CD2 3.8Å; I257-Y261 HydrophobicContact CD1-CE2 3.68Å; I257-Y261 HydrophobicContact CG1-CD2 4.02Å; I257-Y261 HydrophobicContact CG1-CE2 4.4Å; I257-Y261 PolarHBondContact O-N 3.46Å; I257-Y261 VanDerWaalsContact O-N 3.08Å
258	Q	95.6	Very high	87.1	Confident	34 Å²	34	80.3 Å²	80.3	16%	0.159	40%	0.399	C	S	.	.	H	α-helix	trans	-70.7	-23.6	175.4	-72.3	174.9	-2.2	0	0	112.8	E142 I143 I254 K255 G256 L260 G262 K263	E142-Q258 PolarHBondContact O-NE2 3.3Å; E142-Q258 VanDerWaalsContact O-NE2 3.12Å; I143-Q258 HydrophobicContact CG2-CG 4.29Å; I254-Q258 HydrophobicContact CG2-CG 4.45Å; I254-Q258 VanDerWaalsContact O-CB 3.25Å; I254-Q258 WeakPolarHBondContact O-CB 3.36Å; I254-Q258 WeakPolarHBondContact O-CG 3.38Å; I254-Q258 PolarHBondContact O-N 3.01Å; I254-Q258 VanDerWaalsContact O-N 3.08Å; K255-Q258 PolarHBondContact O-N 3.08Å; G256-Q258 VanDerWaalsContact C-N 3.35Å; G256-Q258 PolarHBondContact O-N 3.04Å; Q258-L260 VanDerWaalsContact C-N 3.27Å; Q258-G262 WeakPolarHBondContact O-CA 3.33Å; Q258-G262 PolarHBondContact O-N 3.37Å; Q258-K263 HydrophobicContact CB-CG 4.42Å; Q258-K263 HydrophobicContact CG-CG 4.15Å; Q258-K263 VanDerWaalsContact OE1-CE 3.29Å
259	K	93.1	Very high	84.5	Confident	184 Å²	184	82.2 Å²	82.2	80%	0.8	41%	0.407	S	S	*	.	H	α-helix	trans	-65.7	-33.7	170.7	-170.5	-177.6	176.5	-173.4	0	111.3	K255 G256 I257	K255-K259 PolarHBondContact O-N 3.4Å; G256-K259 VanDerWaalsContact O-CB 3.3Å; G256-K259 WeakPolarHBondContact O-CB 3.44Å; G256-K259 PolarHBondContact O-N 2.62Å; G256-K259 VanDerWaalsContact O-N 3.13Å; I257-K259 VanDerWaalsContact C-N 3.29Å; I257-K259 PolarHBondContact O-N 3.11Å
260	L	91.4	Very high	81.7	Confident	19 Å²	19	94.6 Å²	94.6	10%	0.099	46%	0.46	C	S	.	.	H	α-helix	trans	-79	-46.2	179.3	-64.2	175.3	0	0	0	112.7	K106 M225 G256 I257 Q258	K106-L260 WeakPolarHBondContact CD-O 3.15Å; K106-L260 PolarHBondContact NZ-O 3.16Å; M225-L260 HydrophobicContact SD-CD1 4.01Å; G256-L260 PolarHBondContact O-N 2.85Å; I257-L260 PolarHBondContact O-N 3.23Å; I257-L260 VanDerWaalsContact O-N 3.16Å; Q258-L260 VanDerWaalsContact C-N 3.27Å
261	Y	94.3	Very high	81	Confident	27 Å²	27	98.5 Å²	98.5	11%	0.106	48%	0.477	C	S	.	.	H	α-helix	trans	-112.9	-8.3	-168.8	-62.6	-77.2	0	0	0	115	K106 W107 I143 P144 L145 L223 I257	K106-Y261 WeakPolarHBondContact CA-OH 3.5Å; K106-Y261 HydrophobicContact CB-CE1 3.83Å; K106-Y261 HydrophobicContact CD-CE1 4.4Å; K106-Y261 HydrophobicContact CG-CE1 4.5Å; W107-Y261 HydrophobicContact CB-CE1 4.34Å; W107-Y261 PolarHBondContact N-OH 2.87Å; W107-Y261 VanDerWaalsContact N-OH 3.15Å; W107-Y261 WeakPolarHBondContact O-CE1 3.43Å; I143-Y261 HydrophobicContact CD1-CD2 3.8Å; I143-Y261 HydrophobicContact CD1-CE2 4.32Å; I143-Y261 HydrophobicContact CD1-CG 4.11Å; I143-Y261 HydrophobicContact CG2-CD2 4.44Å; P144-Y261 WeakPolarHBondContact CD-O 3.47Å; P144-Y261 WeakPolarHBondContact CG-O 3.36Å; L145-Y261 HydrophobicContact CD1-CD1 3.89Å; L145-Y261 HydrophobicContact CD1-CE1 3.64Å; L145-Y261 HydrophobicContact CD1-CE2 4.4Å; L145-Y261 HydrophobicContact CD1-CG 4.37Å; L145-Y261 HydrophobicContact CD2-CD1 4.18Å; L145-Y261 HydrophobicContact CD2-CE1 4.36Å; L145-Y261 HydrophobicContact CG-CD1 4.03Å; L145-Y261 HydrophobicContact CG-CE1 4.25Å; L145-Y261 HydrophobicContact CG-CG 4.47Å; L223-Y261 HydrophobicContact CB-CE2 4.27Å; L223-Y261 WeakPolarHBondContact O-CE2 3.12Å; L223-Y261 VanDerWaalsContact O-CZ 3.32Å; L223-Y261 PolarHBondContact O-OH 2.57Å; I257-Y261 HydrophobicContact CD1-CD2 3.8Å; I257-Y261 HydrophobicContact CD1-CE2 3.68Å; I257-Y261 HydrophobicContact CG1-CD2 4.02Å; I257-Y261 HydrophobicContact CG1-CE2 4.4Å; I257-Y261 PolarHBondContact O-N 3.46Å; I257-Y261 VanDerWaalsContact O-N 3.08Å
262	G	93.6	Very high	80.2	Confident	32 Å²	32	97.7 Å²	97.7	33%	0.33	48%	0.475	S	S	.	.			trans	75.8	175.1	-169	0	0	0	0	0	112.7	P144 Q258	P144-G262 VanDerWaalsContact CD-O 3.31Å; P144-G262 WeakPolarHBondContact CD-O 3.27Å; Q258-G262 WeakPolarHBondContact O-CA 3.33Å; Q258-G262 PolarHBondContact O-N 3.37Å
263	K	93.9	Very high	79.4	Confident	158 Å²	158	99.2 Å²	99.2	69%	0.687	48%	0.48	S	S	*	.	P	Polyproline II helix	trans	-79.7	144.9	176.8	-63.9	-173	176.9	-179.1	0	110.6	Q258 S265	Q258-K263 HydrophobicContact CB-CG 4.42Å; Q258-K263 HydrophobicContact CG-CG 4.15Å; Q258-K263 VanDerWaalsContact OE1-CE 3.29Å; K263-S265 PolarHBondContact O-N 3.14Å
264	R	87.1	Confident	78.4	Confident	89 Å²	89	105.1 Å²	105.1	34%	0.336	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-60.7	122.2	164.8	-164	173.8	-172.2	94.5	9.9	109.3	G140 K141 E142 I143 L145 H146 N266	G140-R264 PolarHBondContact O-NH1 3.24Å; K141-R264 WeakPolarHBondContact O-CD 3.13Å; E142-R264 PolarHBondContact O-N 2.86Å; I143-R264 PolarHBondContact O-NH1 2.67Å; I143-R264 VanDerWaalsContact O-NH1 3.14Å; L145-R264 PolarHBondContact O-NH1 3.29Å; H146-R264 PolarHBondContact CE1-NH2 2.85Å; R264-N266 PolarHBondContact O-N 3.28Å
265	S	77.8	Confident	77.3	Confident	94 Å²	94	110.1 Å²	110.1	66%	0.657	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-71.6	119.3	172.6	54.2	0	0	0	0	108.8	K263 S267	K263-S265 PolarHBondContact O-N 3.14Å; S265-S267 PolarHBondContact O-N 3.23Å
266	N	58.3	Low	76.1	Confident	146 Å²	146	108.7 Å²	108.7	78%	0.781	53%	0.529	S	S	*	.			trans	-73.4	74.4	167.1	-85	-18.3	0	0	0	108.7	R264 R268	R264-N266 PolarHBondContact O-N 3.28Å; N266-R268 PolarHBondContact O-N 3.29Å
267	S	48.7	Very low	74.8	Confident	107 Å²	107	114.6 Å²	114.6	75%	0.748	55%	0.548	S	S	*	.			trans	-76.4	48.8	166.8	64.1	0	0	0	0	110.9	S265	S265-S267 PolarHBondContact O-N 3.23Å
268	R	45.9	Very low	73.2	Confident	239 Å²	239	123.4 Å²	123.4	90%	0.902	59%	0.59	S	S	*	*			trans	-122.2	55.3	157.7	-70.9	-171.8	-171.5	171.9	2.7	108.1	N266	N266-R268 PolarHBondContact O-N 3.29Å
269	K	36.7	Very low	71.3	Confident	199 Å²	199	130.8 Å²	130.8	87%	0.865	63%	0.626	S	S	*	*			trans	-82.7	103.2	145.3	-72	-171	178.5	-176.5	0	104.6
270	K	35.6	Very low	69.4	Low	276 Å²	276	126 Å²	126	100%	1.2	61%	0.61	S	S	*	*			trans	-59.2	0	158.8	-87	-176.4	171.7	-177.3	0	108.6

Retrieved 270 of 270 residues in 181.9 ms (Link to these results)

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