A0A2K5MZE1_CERAT Loading...

SplA/ryanodine receptor domain and SOCS box containing 4

AlphaFold DB , UniProt , Accession A0A2K5MZE1, Species CERAT (Cercocebus atys, Sooty mangabey), Gene SPSB4, Length 273 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.4	Very low	35.5	Very low	250 Å²	250	152 Å²	152	100%	1.232	87%	0.871	S	S	*	*				0	96.9	0	-97.9	-179.8	-123.4	0	0	108
2	G	34.1	Very low	35.1	Very low	82 Å²	82	150.1 Å²	150.1	85%	0.845	86%	0.864	S	S	*	*	P	Polyproline II helix	trans	-90.8	116.4	-179.2	0	0	0	0	0	110.8
3	Q	37	Very low	34.7	Very low	191 Å²	191	152.5 Å²	152.5	89%	0.893	86%	0.862	S	S	*	*	P	Polyproline II helix	trans	-84.3	117.2	168.5	-77.3	-179.3	-11.3	0	0	109.1
4	K	35.9	Very low	34.7	Very low	209 Å²	209	150.1 Å²	150.1	91%	0.909	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-89	116.1	165.5	-77.2	-173.4	175.1	-178.5	0	108.3	S6	K4-S6 PolarHBondContact O-N 3.37Å
5	L	39.3	Very low	34.7	Very low	173 Å²	173	156.3 Å²	156.3	91%	0.906	86%	0.857	S	S	*	*			trans	-81.8	104	165.1	-73.2	163.3	0	0	0	108.2
6	S	36.5	Very low	35.5	Very low	111 Å²	111	153.9 Å²	153.9	78%	0.776	84%	0.838	S	S	*	*			trans	-99	94.5	167.8	61.7	0	0	0	0	109.4	K4 S8	K4-S6 PolarHBondContact O-N 3.37Å; S6-S8 PolarHBondContact O-N 3.36Å
7	G	32.8	Very low	35.8	Very low	75 Å²	75	151.1 Å²	151.1	77%	0.773	83%	0.829	S	S	*	*			trans	-78	101.3	165.3	0	0	0	0	0	109.7	L9	G7-L9 PolarHBondContact O-N 3.27Å
8	S	29.8	Very low	36.4	Very low	109 Å²	109	148.3 Å²	148.3	76%	0.762	83%	0.829	S	S	*	*			trans	-77.5	102.4	165.4	-77.1	0	0	0	0	109.3	S6 K10	S6-S8 PolarHBondContact O-N 3.36Å; S8-K10 PolarHBondContact O-N 3.07Å; S8-K10 VanDerWaalsContact O-N 3.14Å
9	L	36.4	Very low	37.2	Very low	175 Å²	175	143.9 Å²	143.9	92%	0.916	80%	0.803	S	S	*	*			trans	-68.2	102.5	160.2	-76	158.9	0	0	0	107.5	G7 S11	G7-L9 PolarHBondContact O-N 3.27Å; L9-S11 PolarHBondContact O-N 2.85Å
10	K	32.6	Very low	37.7	Very low	191 Å²	191	147.3 Å²	147.3	83%	0.83	80%	0.803	S	S	*	*			trans	-70.7	106.2	168.3	-75.8	-176.2	176.1	-179.8	0	108	S8 V12	S8-K10 PolarHBondContact O-N 3.07Å; S8-K10 VanDerWaalsContact O-N 3.14Å; K10-V12 PolarHBondContact O-N 3.23Å
11	S	33.4	Very low	38	Very low	106 Å²	106	146 Å²	146	74%	0.741	80%	0.802	S	S	*	*			trans	-60.7	114.6	162.1	49.3	0	0	0	0	108.4	L9 E13	L9-S11 PolarHBondContact O-N 2.85Å; S11-E13 PolarHBondContact O-N 2.91Å; S11-E13 VanDerWaalsContact O-N 3.09Å
12	V	30.5	Very low	38.2	Very low	129 Å²	129	135.7 Å²	135.7	78%	0.782	76%	0.756	S	S	*	*			trans	-75.6	94.7	170.9	-179.6	0	0	0	0	106.8	K10 V14	K10-V12 PolarHBondContact O-N 3.23Å; V12-V14 HydrophobicContact CG1-CG2 4.34Å; V12-V14 PolarHBondContact O-N 2.79Å; V12-V14 VanDerWaalsContact O-N 3.11Å
13	E	29.8	Very low	38.8	Very low	181 Å²	181	141.3 Å²	141.3	85%	0.846	76%	0.758	S	S	*	*			trans	-69.1	101.6	164.9	-92.3	-176.1	156.4	0	0	108.2	S11 R15	S11-E13 PolarHBondContact O-N 2.91Å; S11-E13 VanDerWaalsContact O-N 3.09Å; E13-R15 PolarHBondContact O-N 3.08Å
14	V	35.5	Very low	39.5	Very low	119 Å²	119	137.6 Å²	137.6	72%	0.721	74%	0.736	S	S	*	*			trans	-68.6	102.1	165.2	-179.6	0	0	0	0	106.7	V12 E16	V12-V14 HydrophobicContact CG1-CG2 4.34Å; V12-V14 PolarHBondContact O-N 2.79Å; V12-V14 VanDerWaalsContact O-N 3.11Å; V14-E16 PolarHBondContact O-N 3.2Å
15	R	34.8	Very low	40.5	Very low	243 Å²	243	133.8 Å²	133.8	92%	0.917	72%	0.721	S	S	*	*			trans	-71	99.4	176.4	-164.6	175	-179.2	-176.7	0.4	108.6	E13	E13-R15 PolarHBondContact O-N 3.08Å
16	E	47.5	Very low	41.6	Very low	119 Å²	119	127.2 Å²	127.2	56%	0.556	69%	0.687	S	S	*	*			trans	-65.6	139.8	177.1	-66.7	-167.9	156.3	0	0	111	V14 R146	V14-E16 PolarHBondContact O-N 3.2Å; E16-R146 IonicContact OE2-CZ 3.71Å; E16-R146 IonicContact OE2-NE 3.46Å; E16-R146 PolarHBondContact OE2-NE 2.77Å; E16-R146 IonicContact OE2-NH2 3.05Å; E16-R146 PolarHBondContact OE2-NH2 2.71Å
17	P	40.2	Very low	42.6	Very low	105 Å²	105	130.5 Å²	130.5	68%	0.682	68%	0.682	S	S	*	*			trans	-66.5	143.2	178.6	25.6	-31.5	0	0	0	111.5	L19	P17-L19 PolarHBondContact O-N 3.14Å
18	A	46	Very low	44	Very low	101 Å²	101	127.8 Å²	127.8	84%	0.835	65%	0.654	S	S	*	*			trans	-68.4	112	177.5	0	0	0	0	0	110.9
19	L	51.5	Low	45.7	Very low	65 Å²	65	127.1 Å²	127.1	34%	0.34	66%	0.655	S	S	.	*			trans	-68.6	133.2	174.7	-76.3	154.2	0	0	0	110.6	P17 R146	P17-L19 PolarHBondContact O-N 3.14Å; L19-R146 HydrophobicContact CD1-CB 4.16Å; L19-R146 HydrophobicContact CD1-CG 3.78Å
20	R	48.3	Very low	47.5	Very low	211 Å²	211	123.1 Å²	123.1	80%	0.796	63%	0.631	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87.6	121.8	172.7	-67.5	-177.4	-179.6	-178.2	1	108.7	A22	R20-A22 PolarHBondContact O-N 3.33Å
21	P	42.6	Very low	49.8	Very low	121 Å²	121	116.6 Å²	116.6	79%	0.786	61%	0.609	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-69.5	100.9	176.4	26.2	-31	0	0	0	109.5	K23	P21-K23 PolarHBondContact O-N 3.22Å
22	A	47.2	Very low	52.1	Low	33 Å²	33	115.2 Å²	115.2	27%	0.273	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.4	108.2	169.9	0	0	0	0	0	108.1	R20 R24 A170	R20-A22 PolarHBondContact O-N 3.33Å; A22-R24 PolarHBondContact O-N 2.86Å; A22-A170 VanDerWaalsContact O-O 3.11Å
23	K	46.7	Very low	54.8	Low	201 Å²	201	111.7 Å²	111.7	87%	0.874	58%	0.584	S	S	*	*			trans	-72.2	73.5	164.4	-73.7	-174.8	178.1	-178.1	0	108.6	P21	P21-K23 PolarHBondContact O-N 3.22Å
24	R	53	Low	57.7	Low	113 Å²	113	105.7 Å²	105.7	43%	0.426	56%	0.561	S	S	.	*			trans	-101.9	121.4	172.4	-160.3	168.1	172.5	-175.8	-4.3	107.9	A22 E169 F171	A22-R24 PolarHBondContact O-N 2.86Å; R24-E169 IonicContact NH1-OE2 3.28Å; R24-F171 WeakPolarHBondContact O-CD2 3.36Å; R24-F171 VanDerWaalsContact O-CE2 3.27Å; R24-F171 WeakPolarHBondContact O-CE2 3.22Å
25	E	56.3	Low	60.1	Low	129 Å²	129	103.9 Å²	103.9	60%	0.603	56%	0.558	S	S	*	*			trans	-57.1	150.8	166.1	-66.7	172.5	163.8	0	0	109.1	R27	E25-R27 VanDerWaalsContact C-N 3.28Å; E25-R27 HydrophobicContact CB-CG 4.1Å; E25-R27 PolarHBondContact O-N 3.13Å; E25-R27 IonicContact OE2-CZ 3.33Å; E25-R27 IonicContact OE2-NE 2.9Å; E25-R27 PolarHBondContact OE2-NE 2.68Å; E25-R27 IonicContact OE2-NH2 2.74Å; E25-R27 PolarHBondContact OE2-NH2 3.07Å
26	L	61.1	Low	62.7	Low	35 Å²	35	95.6 Å²	95.6	18%	0.183	53%	0.527	C	S	.	.	S	Bend	trans	-56	89.9	172.1	-81.1	155.8	0	0	0	109.8	F164 F171 V192 D193 L197	L26-F164 HydrophobicContact CD2-CE1 4.33Å; L26-F164 HydrophobicContact CD2-CZ 4.02Å; L26-F171 HydrophobicContact CD1-CE1 4.34Å; L26-F171 HydrophobicContact CD1-CE2 4.44Å; L26-F171 HydrophobicContact CD1-CZ 3.69Å; L26-F171 HydrophobicContact CD2-CE1 4.17Å; L26-F171 HydrophobicContact CD2-CE2 4.07Å; L26-F171 HydrophobicContact CD2-CZ 3.78Å; L26-F171 HydrophobicContact CG-CE1 4.16Å; L26-F171 HydrophobicContact CG-CE2 3.64Å; L26-F171 HydrophobicContact CG-CZ 3.34Å; L26-V192 HydrophobicContact CD1-CB 4.36Å; L26-V192 HydrophobicContact CD1-CG1 4.11Å; L26-D193 HydrophobicContact CD1-CB 3.92Å; L26-L197 HydrophobicContact CD2-CD2 3.61Å
27	R	58.3	Low	64.9	Low	180 Å²	180	90 Å²	90	68%	0.679	50%	0.501	S	S	*	.			trans	-122.1	31	-176.9	-68.2	-172.9	-179.2	-143.1	3.6	111.7	E25	E25-R27 VanDerWaalsContact C-N 3.28Å; E25-R27 HydrophobicContact CB-CG 4.1Å; E25-R27 PolarHBondContact O-N 3.13Å; E25-R27 IonicContact OE2-CZ 3.33Å; E25-R27 IonicContact OE2-NE 2.9Å; E25-R27 PolarHBondContact OE2-NE 2.68Å; E25-R27 IonicContact OE2-NH2 2.74Å; E25-R27 PolarHBondContact OE2-NH2 3.07Å
28	G	61.3	Low	67.3	Low	17 Å²	17	87.7 Å²	87.7	18%	0.175	48%	0.483	C	S	.	.	S	Bend	trans	-95.4	145.4	168.9	0	0	0	0	0	110.3	E30 Q195	G28-E30 PolarHBondContact O-N 3.3Å; G28-Q195 PolarHBondContact O-NE2 2.91Å
29	A	66.1	Low	69.2	Low	96 Å²	96	83.4 Å²	83.4	79%	0.793	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-56.9	131.4	168.6	0	0	0	0	0	109	P31	A29-P31 WeakPolarHBondContact O-CD 3.47Å
30	E	74.8	Confident	71.2	Confident	90 Å²	90	80.3 Å²	80.3	42%	0.421	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-64.6	122.1	178.4	-171.4	172.6	-173.8	0	0	109.4	G28 R33 Q195 Y196	G28-E30 PolarHBondContact O-N 3.3Å; E30-R33 IonicContact OE1-CZ 2.81Å; E30-R33 IonicContact OE1-NE 2.94Å; E30-R33 PolarHBondContact OE1-NE 3.03Å; E30-R33 IonicContact OE1-NH2 3.22Å; E30-R33 PolarHBondContact OE1-NH2 3.03Å; E30-R33 IonicContact OE2-NH2 2.93Å; E30-Q195 HydrophobicContact CB-CG 4.34Å; E30-Q195 HydrophobicContact CG-CG 4.08Å; E30-Y196 WeakPolarHBondContact OE1-CB 3.34Å; E30-Y196 PolarHBondContact OE1-N 2.69Å
31	P	80.6	Confident	73.3	Confident	54 Å²	54	72.7 Å²	72.7	35%	0.351	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-57.1	150.9	171.7	-21.7	33.9	0	0	0	110.5	A29 R33 Y196	A29-P31 WeakPolarHBondContact O-CD 3.47Å; P31-R33 PolarHBondContact O-N 3.4Å; P31-Y196 HydrophobicContact CB-CD1 4.31Å; P31-Y196 HydrophobicContact CB-CE1 4.47Å; P31-Y196 VanDerWaalsContact CD-O 3.26Å; P31-Y196 WeakPolarHBondContact CD-O 3.33Å
32	G	82.1	Confident	75.4	Confident	77 Å²	77	69.6 Å²	69.6	79%	0.794	38%	0.381	S	S	*	.			trans	-50.8	110.2	177.4	0	0	0	0	0	111.7
33	R	87.6	Confident	77.4	Confident	55 Å²	55	70.1 Å²	70.1	21%	0.208	38%	0.378	C	S	.	.			trans	-79.3	132.8	-178	-171.5	-172	-71.5	-168.5	-3.8	110	E30 P31 A35 L37 D38 G194 Y196	E30-R33 IonicContact OE1-CZ 2.81Å; E30-R33 IonicContact OE1-NE 2.94Å; E30-R33 PolarHBondContact OE1-NE 3.03Å; E30-R33 IonicContact OE1-NH2 3.22Å; E30-R33 PolarHBondContact OE1-NH2 3.03Å; E30-R33 IonicContact OE2-NH2 2.93Å; P31-R33 PolarHBondContact O-N 3.4Å; R33-A35 PolarHBondContact O-N 2.92Å; R33-L37 HydrophobicContact CG-CB 4.5Å; R33-L37 HydrophobicContact CG-CD2 4.03Å; R33-L37 HydrophobicContact CG-CG 4.44Å; R33-D38 VanDerWaalsContact CD-CG 3.48Å; R33-D38 WeakPolarHBondContact CD-OD1 3.36Å; R33-D38 IonicContact CZ-OD1 3.04Å; R33-D38 IonicContact NE-OD1 3.16Å; R33-D38 IonicContact NH1-OD1 3.85Å; R33-D38 PolarHBondContact NH1-OD1 3.38Å; R33-G194 PolarHBondContact NH2-O 3.05Å; R33-Y196 HydrophobicContact CB-CD1 4.17Å; R33-Y196 HydrophobicContact CB-CG 4.35Å; R33-Y196 HydrophobicContact CG-CD1 4.31Å; R33-Y196 HydrophobicContact CG-CD2 4.49Å; R33-Y196 HydrophobicContact CG-CG 4.07Å
34	P	89.4	Confident	79.5	Confident	56 Å²	56	64 Å²	64	36%	0.364	36%	0.359	S	S	.	.			trans	-64.2	135.5	179.1	-21.9	32.8	0	0	0	112.4	R36 L37 D38	P34-R36 VanDerWaalsContact C-N 3.26Å; P34-R36 PolarHBondContact O-N 2.9Å; P34-L37 HydrophobicContact CB-CB 4.39Å; P34-L37 VanDerWaalsContact O-CB 3.29Å; P34-L37 WeakPolarHBondContact O-CB 3.46Å; P34-L37 PolarHBondContact O-N 3.29Å; P34-D38 PolarHBondContact O-N 3.37Å
35	A	87.4	Confident	81.5	Confident	81 Å²	81	61.6 Å²	61.6	67%	0.669	36%	0.364	S	S	*	.	H	α-helix	trans	-58.5	-35.5	-179.6	0	0	0	0	0	113.4	R33 L37 D38 Q39	R33-A35 PolarHBondContact O-N 2.92Å; A35-L37 PolarHBondContact O-N 3.48Å; A35-D38 PolarHBondContact O-N 3.49Å; A35-Q39 WeakPolarHBondContact O-CB 3.43Å; A35-Q39 PolarHBondContact O-N 2.86Å
36	R	89.4	Confident	83.5	Confident	68 Å²	68	56 Å²	56	26%	0.257	34%	0.339	S	S	.	.	H	α-helix	trans	-61.4	-30.4	175	-72	-175.5	75.5	-158.4	5.8	112.4	P34 Q39 L40 L97 D184 L230 D231	P34-R36 VanDerWaalsContact C-N 3.26Å; P34-R36 PolarHBondContact O-N 2.9Å; R36-Q39 WeakPolarHBondContact O-CB 3.41Å; R36-L40 PolarHBondContact O-N 3Å; R36-L97 HydrophobicContact CB-CD2 3.93Å; R36-D184 IonicContact CZ-OD2 2.69Å; R36-D184 IonicContact NH1-OD2 2.72Å; R36-D184 PolarHBondContact NH1-OD2 3.31Å; R36-D184 IonicContact NH2-OD2 3.56Å; R36-D184 PolarHBondContact NH2-OD2 2.87Å; R36-D184 VanDerWaalsContact NH2-OD2 3.08Å; R36-L230 VanDerWaalsContact O-CD1 3.32Å; R36-L230 WeakPolarHBondContact O-CD1 3.46Å; R36-D231 PolarHBondContact NH2-O 3.28Å
37	L	93.1	Very high	85.2	Confident	3 Å²	3	56.5 Å²	56.5	2%	0.016	35%	0.353	C	S	.	.	H	α-helix	trans	-72.8	-48	178.4	179.7	53.2	0	0	0	111.7	R33 P34 A35 Q39 L40 L41 L97 V180 I191 Y196	R33-L37 HydrophobicContact CG-CB 4.5Å; R33-L37 HydrophobicContact CG-CD2 4.03Å; R33-L37 HydrophobicContact CG-CG 4.44Å; P34-L37 HydrophobicContact CB-CB 4.39Å; P34-L37 VanDerWaalsContact O-CB 3.29Å; P34-L37 WeakPolarHBondContact O-CB 3.46Å; P34-L37 PolarHBondContact O-N 3.29Å; A35-L37 PolarHBondContact O-N 3.48Å; L37-Q39 PolarHBondContact O-N 2.91Å; L37-L40 WeakPolarHBondContact O-CB 3.37Å; L37-L40 PolarHBondContact O-N 3.25Å; L37-L41 HydrophobicContact CD1-CD1 3.87Å; L37-L41 HydrophobicContact CD1-CG 4.05Å; L37-L41 HydrophobicContact CG-CD1 4.05Å; L37-L41 VanDerWaalsContact O-CG 3.31Å; L37-L41 WeakPolarHBondContact O-CG 3.47Å; L37-L41 PolarHBondContact O-N 3Å; L37-L97 HydrophobicContact CB-CD2 4.42Å; L37-V180 HydrophobicContact CD1-CB 4.4Å; L37-V180 HydrophobicContact CD1-CG1 3.66Å; L37-V180 HydrophobicContact CD1-CG2 3.78Å; L37-V180 HydrophobicContact CD2-CG1 4.14Å; L37-V180 HydrophobicContact CD2-CG2 4.25Å; L37-V180 HydrophobicContact CG-CG1 4.48Å; L37-I191 HydrophobicContact CD1-CD1 4.29Å; L37-I191 HydrophobicContact CD2-CD1 3.96Å; L37-I191 HydrophobicContact CG-CD1 4.29Å; L37-Y196 HydrophobicContact CD2-CD2 3.74Å; L37-Y196 HydrophobicContact CD2-CE2 3.8Å
38	D	89.5	Confident	87.1	Confident	56 Å²	56	53 Å²	53	30%	0.299	35%	0.347	S	S	.	.	H	α-helix	trans	-58.4	-41.9	174.5	-74.1	-42.1	0	0	0	111.1	R33 P34 A35 L40 L41 D42	R33-D38 VanDerWaalsContact CD-CG 3.48Å; R33-D38 WeakPolarHBondContact CD-OD1 3.36Å; R33-D38 IonicContact CZ-OD1 3.04Å; R33-D38 IonicContact NE-OD1 3.16Å; R33-D38 IonicContact NH1-OD1 3.85Å; R33-D38 PolarHBondContact NH1-OD1 3.38Å; P34-D38 PolarHBondContact O-N 3.37Å; A35-D38 PolarHBondContact O-N 3.49Å; D38-L40 VanDerWaalsContact C-N 3.34Å; D38-L40 PolarHBondContact O-N 2.79Å; D38-L41 PolarHBondContact O-N 2.94Å; D38-D42 WeakPolarHBondContact O-CB 3.33Å; D38-D42 PolarHBondContact O-N 3.36Å
39	Q	87.4	Confident	88.8	Confident	10 Å²	10	55.3 Å²	55.3	5%	0.047	36%	0.364	C	S	.	.	H	α-helix	trans	-55.4	-47.6	172.7	143.4	157.1	7.4	0	0	112.8	A35 R36 L37 L41 D42 M43 L230 R243	A35-Q39 WeakPolarHBondContact O-CB 3.43Å; A35-Q39 PolarHBondContact O-N 2.86Å; R36-Q39 WeakPolarHBondContact O-CB 3.41Å; L37-Q39 PolarHBondContact O-N 2.91Å; Q39-L41 VanDerWaalsContact C-N 3.27Å; Q39-L41 PolarHBondContact O-N 2.81Å; Q39-D42 PolarHBondContact O-N 3.14Å; Q39-M43 WeakPolarHBondContact O-CG 3.46Å; Q39-L230 HydrophobicContact CG-CD1 3.53Å; Q39-L230 HydrophobicContact CG-CD2 4.4Å; Q39-R243 PolarHBondContact O-NH1 3.01Å
40	L	93	Very high	90.4	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61	-42.5	-178.2	-172.5	153.1	0	0	0	110.5	R36 L37 D38 M43 L97 A99 I227 N228 L230	R36-L40 PolarHBondContact O-N 3Å; L37-L40 WeakPolarHBondContact O-CB 3.37Å; L37-L40 PolarHBondContact O-N 3.25Å; D38-L40 VanDerWaalsContact C-N 3.34Å; D38-L40 PolarHBondContact O-N 2.79Å; L40-M43 HydrophobicContact CG-CE 4.39Å; L40-L97 HydrophobicContact CB-CD2 4.29Å; L40-L97 HydrophobicContact CD1-CB 4.31Å; L40-L97 HydrophobicContact CD1-CD2 3.89Å; L40-L97 HydrophobicContact CD1-CG 3.71Å; L40-A99 HydrophobicContact CD1-CB 4.48Å; L40-A99 HydrophobicContact CD2-CB 3.62Å; L40-I227 HydrophobicContact CD2-CG2 4.43Å; L40-N228 HydrophobicContact CD2-CB 3.71Å; L40-N228 HydrophobicContact CG-CB 3.95Å; L40-L230 HydrophobicContact CB-CD1 3.66Å; L40-L230 HydrophobicContact CB-CG 4.17Å; L40-L230 HydrophobicContact CD1-CD1 4.25Å; L40-L230 HydrophobicContact CD1-CG 4.11Å; L40-L230 HydrophobicContact CG-CD1 4.25Å; L40-L230 HydrophobicContact CG-CG 4.23Å
41	L	92.1	Very high	91.5	Very high	51 Å²	51	49.8 Å²	49.8	27%	0.267	33%	0.325	S	S	.	.	H	α-helix	trans	-77.4	-22.8	-175.4	-61.7	173.4	0	0	0	113.3	L37 D38 Q39 M43 L178 I191 I227	L37-L41 HydrophobicContact CD1-CD1 3.87Å; L37-L41 HydrophobicContact CD1-CG 4.05Å; L37-L41 HydrophobicContact CG-CD1 4.05Å; L37-L41 VanDerWaalsContact O-CG 3.31Å; L37-L41 WeakPolarHBondContact O-CG 3.47Å; L37-L41 PolarHBondContact O-N 3Å; D38-L41 PolarHBondContact O-N 2.94Å; Q39-L41 VanDerWaalsContact C-N 3.27Å; Q39-L41 PolarHBondContact O-N 2.81Å; L41-M43 VanDerWaalsContact C-N 3.31Å; L41-L178 HydrophobicContact CD2-CD1 3.95Å; L41-I191 HydrophobicContact CD1-CD1 3.58Å; L41-I227 HydrophobicContact CD2-CG2 4.41Å
42	D	87.7	Confident	92.4	Very high	57 Å²	57	48.8 Å²	48.8	31%	0.305	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-12.3	175.5	-82.4	-14.8	0	0	0	113.8	D38 Q39 Y272	D38-D42 WeakPolarHBondContact O-CB 3.33Å; D38-D42 PolarHBondContact O-N 3.36Å; Q39-D42 PolarHBondContact O-N 3.14Å; D42-Y272 WeakPolarHBondContact O-CE2 3.2Å; D42-Y272 PolarHBondContact O-OH 3.45Å
43	M	88.3	Confident	93.2	Very high	44 Å²	44	52 Å²	52	22%	0.217	30%	0.304	C	S	.	.	S	Bend	trans	-77.4	148.5	173.1	-61	-176.3	-46.6	0	0	110.2	Q39 L40 L41 A45 N228 L230	Q39-M43 WeakPolarHBondContact O-CG 3.46Å; L40-M43 HydrophobicContact CG-CE 4.39Å; L41-M43 VanDerWaalsContact C-N 3.31Å; M43-A45 PolarHBondContact O-N 2.85Å; M43-N228 HydrophobicContact CE-CB 3.79Å; M43-L230 HydrophobicContact CE-CD2 3.63Å; M43-L230 HydrophobicContact CE-CG 4.22Å; M43-L230 HydrophobicContact SD-CD2 3.83Å
44	P	91.2	Very high	93.7	Very high	72 Å²	72	50.7 Å²	50.7	47%	0.468	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-52.8	133.4	169.1	-23.2	32.9	0	0	0	110.3	N228 Y272	P44-N228 PolarHBondContact O-ND2 2.86Å; P44-Y272 HydrophobicContact CG-CD1 3.81Å; P44-Y272 HydrophobicContact CG-CD2 3.83Å; P44-Y272 HydrophobicContact CG-CE1 4.4Å; P44-Y272 HydrophobicContact CG-CE2 4.4Å; P44-Y272 HydrophobicContact CG-CG 3.49Å; P44-Y272 VanDerWaalsContact CG-CG 3.49Å
45	A	94.9	Very high	94.2	Very high	63 Å²	63	48.1 Å²	48.1	52%	0.521	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-59	146.2	179.1	0	0	0	0	0	110.9	M43 G47	M43-A45 PolarHBondContact O-N 2.85Å; A45-G47 PolarHBondContact O-N 2.85Å
46	A	97.1	Very high	94.7	Very high	11 Å²	11	44.3 Å²	44.3	9%	0.091	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-57.2	137.3	-179.3	0	0	0	0	0	111.3	V50 Q51 Y226 I227	A46-V50 HydrophobicContact CB-CB 3.82Å; A46-V50 HydrophobicContact CB-CG1 3.75Å; A46-V50 HydrophobicContact CB-CG2 4.32Å; A46-Q51 PolarHBondContact O-NE2 2.9Å; A46-Y226 HydrophobicContact CB-CD1 4.16Å; A46-I227 VanDerWaalsContact CB-O 3.25Å; A46-I227 WeakPolarHBondContact CB-O 3.38Å; A46-I227 PolarHBondContact N-O 2.95Å
47	G	97.6	Very high	95.2	Very high	45 Å²	45	42.7 Å²	42.7	46%	0.464	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-65.9	165.3	179.2	0	0	0	0	0	113.5	A45 A49 V50 Q51	A45-G47 PolarHBondContact O-N 2.85Å; G47-A49 VanDerWaalsContact C-N 3.27Å; G47-A49 PolarHBondContact O-N 2.79Å; G47-A49 VanDerWaalsContact O-N 3.13Å; G47-V50 WeakPolarHBondContact O-CB 3.46Å; G47-V50 PolarHBondContact O-N 2.93Å; G47-Q51 PolarHBondContact O-N 3.25Å; G47-Q51 VanDerWaalsContact O-N 3.1Å
48	L	97.9	Very high	95.4	Very high	108 Å²	108	44.8 Å²	44.8	57%	0.565	26%	0.262	S	S	*	.	H	α-helix	trans	-52.7	-40.3	-174	-179	61	0	0	0	113.7	V50 Q51 L52 L73	L48-V50 VanDerWaalsContact C-N 3.28Å; L48-V50 PolarHBondContact O-N 3.32Å; L48-Q51 PolarHBondContact O-N 3.36Å; L48-L52 HydrophobicContact CD1-CD1 4.21Å; L48-L52 HydrophobicContact CD1-CG 4.09Å; L48-L52 HydrophobicContact CG-CD1 3.96Å; L48-L52 HydrophobicContact CG-CG 4.31Å; L48-L52 WeakPolarHBondContact O-CG 3.5Å; L48-L52 PolarHBondContact O-N 3.41Å; L48-L73 HydrophobicContact CD1-CD1 4.31Å
49	A	98.3	Very high	95.9	Very high	64 Å²	64	50 Å²	50	53%	0.529	29%	0.285	S	S	.	.	H	α-helix	trans	-60.2	-37.1	177.9	0	0	0	0	0	112.6	G47 R53	G47-A49 VanDerWaalsContact C-N 3.27Å; G47-A49 PolarHBondContact O-N 2.79Å; G47-A49 VanDerWaalsContact O-N 3.13Å; A49-R53 WeakPolarHBondContact O-CG 3.5Å; A49-R53 PolarHBondContact O-N 3.48Å; A49-R53 PolarHBondContact O-NH1 3.24Å
50	V	98.5	Very high	96.4	Very high	39 Å²	39	51.3 Å²	51.3	24%	0.236	29%	0.292	C	S	.	.	H	α-helix	trans	-73	-42.1	176.5	-176.8	0	0	0	0	110.3	A46 G47 L48 L52 R53 H54 Y226	A46-V50 HydrophobicContact CB-CB 3.82Å; A46-V50 HydrophobicContact CB-CG1 3.75Å; A46-V50 HydrophobicContact CB-CG2 4.32Å; G47-V50 WeakPolarHBondContact O-CB 3.46Å; G47-V50 PolarHBondContact O-N 2.93Å; L48-V50 VanDerWaalsContact C-N 3.28Å; L48-V50 PolarHBondContact O-N 3.32Å; V50-L52 VanDerWaalsContact C-N 3.34Å; V50-L52 PolarHBondContact O-N 2.93Å; V50-R53 PolarHBondContact O-N 2.98Å; V50-H54 PolarHBondContact O-N 3.21Å; V50-H54 PolarHBondContact O-ND1 3.04Å; V50-Y226 HydrophobicContact CG1-CD1 3.99Å; V50-Y226 HydrophobicContact CG1-CE1 4.24Å
51	Q	98.8	Very high	96.7	Very high	32 Å²	32	55.2 Å²	55.2	15%	0.15	31%	0.307	C	S	.	.	H	α-helix	trans	-57.9	-46.8	176.8	-63.9	178.9	16.6	0	0	110.9	A46 G47 L48 R53 H54 A55 L73	A46-Q51 PolarHBondContact O-NE2 2.9Å; G47-Q51 PolarHBondContact O-N 3.25Å; G47-Q51 VanDerWaalsContact O-N 3.1Å; L48-Q51 PolarHBondContact O-N 3.36Å; Q51-R53 VanDerWaalsContact C-N 3.3Å; Q51-R53 PolarHBondContact O-N 2.91Å; Q51-H54 CarbonylContact O-C 3.56Å; Q51-H54 PolarHBondContact O-N 3.19Å; Q51-A55 PolarHBondContact O-N 2.92Å; Q51-L73 HydrophobicContact CB-CD1 4.42Å; Q51-L73 HydrophobicContact CB-CD2 4.07Å
52	L	98.6	Very high	97	Very high	32 Å²	32	53.1 Å²	53.1	17%	0.168	30%	0.296	C	S	.	.	H	α-helix	trans	-64.3	-30	178.9	-71.8	170.2	0	0	0	114.1	L48 V50 H54 R72 L73 K90	L48-L52 HydrophobicContact CD1-CD1 4.21Å; L48-L52 HydrophobicContact CD1-CG 4.09Å; L48-L52 HydrophobicContact CG-CD1 3.96Å; L48-L52 HydrophobicContact CG-CG 4.31Å; L48-L52 WeakPolarHBondContact O-CG 3.5Å; L48-L52 PolarHBondContact O-N 3.41Å; V50-L52 VanDerWaalsContact C-N 3.34Å; V50-L52 PolarHBondContact O-N 2.93Å; L52-H54 VanDerWaalsContact C-N 3.33Å; L52-R72 HydrophobicContact CD2-CB 3.67Å; L52-L73 HydrophobicContact CD2-CD2 3.88Å; L52-L73 HydrophobicContact CD2-CG 4.43Å; L52-L73 HydrophobicContact CG-CD2 4.37Å; L52-K90 PolarHBondContact O-NZ 3.45Å; L52-K90 VanDerWaalsContact O-NZ 3.13Å
53	R	98.8	Very high	97.5	Very high	144 Å²	144	57.3 Å²	57.3	54%	0.543	32%	0.318	S	S	.	.	H	α-helix	trans	-69.2	-32.3	172.9	-73.7	-167	-55.4	-92.5	12.9	112.3	A49 V50 Q51 K90 V91	A49-R53 WeakPolarHBondContact O-CG 3.5Å; A49-R53 PolarHBondContact O-N 3.48Å; A49-R53 PolarHBondContact O-NH1 3.24Å; V50-R53 PolarHBondContact O-N 2.98Å; Q51-R53 VanDerWaalsContact C-N 3.3Å; Q51-R53 PolarHBondContact O-N 2.91Å; R53-K90 WeakPolarHBondContact O-CB 3.36Å; R53-V91 WeakPolarHBondContact O-CG2 3.27Å
54	H	98.8	Very high	98	Very high	29 Å²	29	57.1 Å²	57.1	13%	0.134	32%	0.318	C	S	.	.	H	α-helix	trans	-96.9	-5.4	-179.8	-68	84.1	0	0	0	113.8	V50 Q51 L52 H93 M224 Y226	V50-H54 PolarHBondContact O-N 3.21Å; V50-H54 PolarHBondContact O-ND1 3.04Å; Q51-H54 CarbonylContact O-C 3.56Å; Q51-H54 PolarHBondContact O-N 3.19Å; L52-H54 VanDerWaalsContact C-N 3.33Å; H54-H93 AromaticContact CD2-CE1 3.75Å; H54-M224 WeakPolarHBondContact O-CE 3.4Å; H54-Y226 HydrophobicContact CB-CD2 3.9Å; H54-Y226 HydrophobicContact CB-CG 3.8Å; H54-Y226 AromaticContact CD2-CD2 3.71Å; H54-Y226 AromaticContact CD2-CE2 3.68Å; H54-Y226 AromaticContact CG-CD2 3.75Å; H54-Y226 AromaticContact CG-CG 3.71Å; H54-Y226 AromaticContact ND1-CD1 3.98Å; H54-Y226 AromaticContact NE2-CE2 4Å; H54-Y226 AromaticContact NE2-CZ 3.89Å
55	A	98.9	Very high	98.4	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.008	30%	0.295	C	S	.	.	S	Bend	trans	-60.4	176.9	-178.1	0	0	0	0	0	113.2	Q51 L73 G89 K90	Q51-A55 PolarHBondContact O-N 2.92Å; A55-L73 HydrophobicContact CB-CD2 3.7Å; A55-G89 WeakPolarHBondContact O-CA 3.34Å; A55-K90 WeakPolarHBondContact O-CG 3.34Å; A55-K90 PolarHBondContact O-N 2.91Å
56	W	98.9	Very high	98.6	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53	140.8	173	-61.6	128.5	0	0	0	112.5	P58 V67 L73 F75 I87 K90 I102 P211 V213 V222 M224	W56-P58 WeakPolarHBondContact O-CD 3.36Å; W56-V67 HydrophobicContact CB-CG2 3.86Å; W56-L73 VanDerWaalsContact CD1-O 3.26Å; W56-L73 PolarHBondContact NE1-O 3.32Å; W56-F75 AromaticContact CD1-CD1 3.8Å; W56-F75 HydrophobicContact CD2-CD1 4.2Å; W56-F75 AromaticContact CE2-CD1 3.83Å; W56-F75 HydrophobicContact CG-CD1 4.19Å; W56-F75 HydrophobicContact CZ2-CD1 4.42Å; W56-F75 HydrophobicContact CZ2-CE1 4.26Å; W56-F75 AromaticContact NE1-CD1 3.54Å; W56-I87 HydrophobicContact CB-CD1 3.78Å; W56-I87 HydrophobicContact CB-CG1 4.18Å; W56-I87 HydrophobicContact CD2-CG2 4.13Å; W56-I87 HydrophobicContact CE3-CG1 4.27Å; W56-I87 HydrophobicContact CE3-CG2 3.98Å; W56-I87 HydrophobicContact CG-CD1 4.37Å; W56-I87 HydrophobicContact CZ3-CG2 4.39Å; W56-K90 VanDerWaalsContact O-CE 3.23Å; W56-K90 WeakPolarHBondContact O-CE 3.23Å; W56-I102 HydrophobicContact CH2-CD1 4Å; W56-I102 HydrophobicContact CZ2-CD1 3.81Å; W56-P211 HydrophobicContact CZ3-CB 4.5Å; W56-V213 HydrophobicContact CH2-CG1 3.92Å; W56-V213 HydrophobicContact CH2-CG2 4.19Å; W56-V213 HydrophobicContact CZ2-CG1 4.31Å; W56-V213 HydrophobicContact CZ2-CG2 4.34Å; W56-V222 HydrophobicContact CZ2-CG1 4.48Å; W56-V222 PolarHBondContact NE1-O 2.99Å; W56-M224 HydrophobicContact CD2-CB 4.27Å; W56-M224 HydrophobicContact CD2-CE 3.88Å; W56-M224 HydrophobicContact CE3-CE 3.68Å; W56-M224 HydrophobicContact CE3-SD 4.39Å; W56-M224 HydrophobicContact CH2-CB 4.15Å; W56-M224 HydrophobicContact CH2-CE 4.13Å; W56-M224 HydrophobicContact CH2-SD 3.75Å; W56-M224 HydrophobicContact CZ2-CB 3.51Å; W56-M224 HydrophobicContact CZ2-CE 4.37Å; W56-M224 HydrophobicContact CZ2-CG 4.32Å; W56-M224 HydrophobicContact CZ2-SD 4.11Å; W56-M224 HydrophobicContact CZ3-CE 3.79Å; W56-M224 HydrophobicContact CZ3-SD 3.92Å
57	N	98.9	Very high	98.7	Very high	35 Å²	35	54.7 Å²	54.7	19%	0.187	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	111.8	-179.2	-169.9	0.4	0	0	0	110.5	E59 D60 R88 K90	N57-E59 PolarHBondContact O-N 3.05Å; N57-E59 PolarHBondContact OD1-N 3.24Å; N57-E59 VanDerWaalsContact OD1-N 3.12Å; N57-D60 HydrophobicContact CB-CB 3.93Å; N57-D60 VanDerWaalsContact ND2-CB 3.33Å; N57-D60 WeakPolarHBondContact ND2-CB 3.45Å; N57-D60 PolarHBondContact O-N 3.29Å; N57-D60 VanDerWaalsContact O-N 3.16Å; N57-R88 WeakPolarHBondContact CB-O 3.45Å; N57-R88 PolarHBondContact N-O 2.98Å; N57-K90 HydrophobicContact CB-CB 4.45Å; N57-K90 HydrophobicContact CB-CG 3.68Å
58	P	98.7	Very high	98.7	Very high	46 Å²	46	54.2 Å²	54.2	30%	0.299	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	-17.4	177.5	27.7	-34.6	0	0	0	113.2	W56 R61 V67	W56-P58 WeakPolarHBondContact O-CD 3.36Å; P58-R61 WeakPolarHBondContact O-CD 3.49Å; P58-R61 PolarHBondContact O-NE 3.32Å; P58-V67 HydrophobicContact CB-CB 4.49Å; P58-V67 HydrophobicContact CB-CG2 4.16Å
59	E	98.8	Very high	98.7	Very high	166 Å²	166	56.7 Å²	56.7	78%	0.776	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.2	-3.6	178.6	-54	-52.1	137.2	0	0	113.5	N57	N57-E59 PolarHBondContact O-N 3.05Å; N57-E59 PolarHBondContact OD1-N 3.24Å; N57-E59 VanDerWaalsContact OD1-N 3.12Å
60	D	98.8	Very high	98.6	Very high	37 Å²	37	60 Å²	60	20%	0.198	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	74.7	-175.8	-170.6	16.8	0	0	0	111.2	N57 R88 L124	N57-D60 HydrophobicContact CB-CB 3.93Å; N57-D60 VanDerWaalsContact ND2-CB 3.33Å; N57-D60 WeakPolarHBondContact ND2-CB 3.45Å; N57-D60 PolarHBondContact O-N 3.29Å; N57-D60 VanDerWaalsContact O-N 3.16Å; D60-R88 VanDerWaalsContact CG-NE 3.34Å; D60-R88 PolarHBondContact O-N 3.3Å; D60-R88 VanDerWaalsContact O-N 3.09Å; D60-R88 IonicContact OD1-CZ 2.93Å; D60-R88 IonicContact OD1-NE 3.85Å; D60-R88 PolarHBondContact OD1-NE 2.98Å; D60-R88 IonicContact OD1-NH2 3.37Å; D60-R88 PolarHBondContact OD1-NH2 3.29Å; D60-R88 WeakPolarHBondContact OD2-CB 3.28Å; D60-R88 IonicContact OD2-CZ 3.84Å; D60-R88 IonicContact OD2-NE 2.63Å; D60-R88 PolarHBondContact OD2-NE 3.47Å; D60-R88 IonicContact OD2-NH2 3.31Å; D60-L124 WeakPolarHBondContact O-CD1 3.21Å; D60-L124 WeakPolarHBondContact OD1-CD1 3.36Å
61	R	98.9	Very high	98.6	Very high	83 Å²	83	60.3 Å²	60.3	31%	0.313	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	162.6	-168.3	61.6	174.5	176.9	82.6	6.1	112.7	P58 V65 I87	P58-R61 WeakPolarHBondContact O-CD 3.49Å; P58-R61 PolarHBondContact O-NE 3.32Å; R61-V65 HydrophobicContact CB-CG2 3.84Å; R61-V65 VanDerWaalsContact CD-O 3.28Å; R61-V65 WeakPolarHBondContact CD-O 3.4Å; R61-V65 HydrophobicContact CG-CG2 4.49Å; R61-V65 PolarHBondContact NH1-O 3.09Å; R61-I87 HydrophobicContact CB-CB 3.99Å; R61-I87 HydrophobicContact CB-CD1 3.73Å; R61-I87 HydrophobicContact CB-CG1 3.74Å
62	S	98.8	Very high	98.6	Very high	6 Å²	6	65.8 Å²	65.8	4%	0.042	32%	0.315	C	S	.	.			trans	-60.2	147.1	156.9	176.9	0	0	0	0	110.5	N64 V65 D85 G86 L124	S62-N64 PolarHBondContact O-N 2.79Å; S62-N64 PolarHBondContact OG-N 3.22Å; S62-N64 VanDerWaalsContact OG-N 3.17Å; S62-V65 WeakPolarHBondContact O-CG2 3.34Å; S62-V65 PolarHBondContact O-N 2.9Å; S62-D85 PolarHBondContact OG-OD1 3.5Å; S62-G86 PolarHBondContact N-O 3.48Å; S62-L124 WeakPolarHBondContact CB-O 3.05Å
63	L	98.6	Very high	98.6	Very high	146 Å²	146	64.7 Å²	64.7	76%	0.764	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-20.2	173.1	-66.3	177.4	0	0	0	112.8	V65	L63-V65 VanDerWaalsContact C-N 3.3Å; L63-V65 PolarHBondContact O-N 2.82Å
64	N	98.8	Very high	98.7	Very high	39 Å²	39	57.9 Å²	57.9	21%	0.209	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	1.1	-179	-58.2	-39.1	0	0	0	113.8	S62 H78 V80 S83 D85	S62-N64 PolarHBondContact O-N 2.79Å; S62-N64 PolarHBondContact OG-N 3.22Å; S62-N64 VanDerWaalsContact OG-N 3.17Å; N64-H78 PolarHBondContact O-N 3.41Å; N64-V80 HydrophobicContact CB-CG2 4.1Å; N64-S83 PolarHBondContact ND2-OG 3.42Å; N64-D85 HydrophobicContact CB-CB 4.42Å; N64-D85 WeakPolarHBondContact CB-OD1 3.43Å; N64-D85 PolarHBondContact ND2-OD1 3.41Å
65	V	98.8	Very high	98.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	152.4	173.1	-57.2	0	0	0	0	109.7	R61 S62 L63 F75 H76 R77 D85 I87	R61-V65 HydrophobicContact CB-CG2 3.84Å; R61-V65 VanDerWaalsContact CD-O 3.28Å; R61-V65 WeakPolarHBondContact CD-O 3.4Å; R61-V65 HydrophobicContact CG-CG2 4.49Å; R61-V65 PolarHBondContact NH1-O 3.09Å; S62-V65 WeakPolarHBondContact O-CG2 3.34Å; S62-V65 PolarHBondContact O-N 2.9Å; L63-V65 VanDerWaalsContact C-N 3.3Å; L63-V65 PolarHBondContact O-N 2.82Å; V65-F75 HydrophobicContact CB-CD2 3.9Å; V65-F75 HydrophobicContact CB-CE2 4.4Å; V65-F75 HydrophobicContact CG1-CD2 4Å; V65-F75 HydrophobicContact CG1-CE2 4.01Å; V65-H76 CarbonylContact C-O 3.56Å; V65-H76 VanDerWaalsContact CA-O 3.26Å; V65-H76 WeakPolarHBondContact CA-O 3.35Å; V65-R77 HydrophobicContact CG1-CB 3.86Å; V65-R77 HydrophobicContact CG1-CG 3.89Å; V65-D85 HydrophobicContact CG1-CB 3.84Å; V65-I87 HydrophobicContact CG2-CB 4.13Å; V65-I87 HydrophobicContact CG2-CD1 4.35Å
66	F	98.8	Very high	98.7	Very high	74 Å²	74	57.8 Å²	57.8	33%	0.325	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	148.3	173.1	63	-87.5	0	0	0	110.1	F75 H76 H78	F66-F75 CarbonylContact O-C 3.34Å; F66-F75 WeakPolarHBondContact O-CA 3.42Å; F66-F75 WeakPolarHBondContact O-CB 3.23Å; F66-H76 HydrophobicContact CD1-CB 4.45Å; F66-H76 HydrophobicContact CE1-CB 3.87Å; F66-H76 AromaticContact CE1-CD2 3.58Å; F66-H76 AromaticContact CE1-CG 3.99Å; F66-H76 HydrophobicContact CE2-CB 3.94Å; F66-H76 HydrophobicContact CZ-CB 3.59Å; F66-H76 AromaticContact CZ-CD2 3.74Å; F66-H76 AromaticContact CZ-CG 3.78Å; F66-H76 PolarHBondContact N-O 3.22Å; F66-H76 PolarHBondContact O-N 3.21Å; F66-H78 AromaticContact CD1-CE1 3.74Å; F66-H78 AromaticContact CD1-NE2 3.48Å; F66-H78 WeakPolarHBondContact CD1-NE2 3.46Å; F66-H78 AromaticContact CE1-CE1 3.47Å; F66-H78 VanDerWaalsContact CE1-CE1 3.47Å; F66-H78 WeakPolarHBondContact CE1-CE1 3.34Å; F66-H78 AromaticContact CE1-NE2 3.72Å
67	V	98.9	Very high	98.7	Very high	22 Å²	22	57.9 Å²	57.9	13%	0.133	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	133.8	172	-179.9	0	0	0	0	108	W56 P58 R72 I87	W56-V67 HydrophobicContact CB-CG2 3.86Å; P58-V67 HydrophobicContact CB-CB 4.49Å; P58-V67 HydrophobicContact CB-CG2 4.16Å; V67-R72 HydrophobicContact CG1-CB 4.45Å; V67-I87 HydrophobicContact CG2-CD1 3.91Å
68	K	98.8	Very high	98.6	Very high	35 Å²	35	60.1 Å²	60.1	15%	0.152	29%	0.293	C	S	.	.			trans	-71.8	140.9	-178.1	-60.9	176.7	65.3	178	0	110.9	D70 D71 R72 T74 H76 E221	K68-D70 WeakPolarHBondContact CB-OD1 3.16Å; K68-D70 VanDerWaalsContact CE-OD1 3.28Å; K68-D70 WeakPolarHBondContact CE-OD1 3.49Å; K68-D71 CarbonylContact O-C 3.56Å; K68-D71 VanDerWaalsContact O-C 3.24Å; K68-R72 PolarHBondContact O-N 3Å; K68-T74 HydrophobicContact CD-CG2 3.78Å; K68-T74 PolarHBondContact N-O 2.95Å; K68-H76 HydrophobicContact CG-CB 4.18Å; K68-E221 VanDerWaalsContact NZ-CD 3.33Å; K68-E221 IonicContact NZ-OE1 3.22Å; K68-E221 PolarHBondContact NZ-OE1 3.27Å; K68-E221 IonicContact NZ-OE2 2.78Å; K68-E221 PolarHBondContact NZ-OE2 3.1Å
69	D	97.1	Very high	98.6	Very high	160 Å²	160	61.6 Å²	61.6	86%	0.856	30%	0.303	S	S	*	.	S	Bend	trans	-72.7	-37.5	179.6	-68.2	-36.2	0	0	0	112.2
70	D	97.8	Very high	98.6	Very high	133 Å²	133	56.2 Å²	56.2	71%	0.711	28%	0.281	S	S	*	.	S	Bend	trans	-76.8	-25.1	178.3	64.7	-37.4	0	0	0	113	K68	K68-D70 WeakPolarHBondContact CB-OD1 3.16Å; K68-D70 VanDerWaalsContact CE-OD1 3.28Å; K68-D70 WeakPolarHBondContact CE-OD1 3.49Å
71	D	98.4	Very high	98.5	Very high	45 Å²	45	57.8 Å²	57.8	24%	0.241	30%	0.299	C	S	.	.			trans	-139.5	90.2	173.3	-178.7	12.1	0	0	0	112.2	K68 L73 T74	K68-D71 CarbonylContact O-C 3.56Å; K68-D71 VanDerWaalsContact O-C 3.24Å; D71-L73 PolarHBondContact O-N 3.23Å; D71-L73 WeakPolarHBondContact OD1-CB 3.49Å; D71-L73 PolarHBondContact OD1-N 2.79Å; D71-L73 VanDerWaalsContact OD1-N 3.1Å; D71-T74 PolarHBondContact O-N 3.34Å; D71-T74 VanDerWaalsContact OD2-CB 3.31Å; D71-T74 WeakPolarHBondContact OD2-CB 3.32Å; D71-T74 PolarHBondContact OD2-OG1 3.31Å
72	R	98.6	Very high	98.5	Very high	148 Å²	148	59.3 Å²	59.3	56%	0.558	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-1.8	-178.9	-64.6	-174.9	-66.8	170.2	-4.6	114.8	L52 V67 K68	L52-R72 HydrophobicContact CD2-CB 3.67Å; V67-R72 HydrophobicContact CG1-CB 4.45Å; K68-R72 PolarHBondContact O-N 3Å
73	L	98.8	Very high	98.5	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.042	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-7.5	171.8	-56.3	-179.1	0	0	0	112.2	L48 Q51 L52 A55 W56 D71 T223 M224 R225	L48-L73 HydrophobicContact CD1-CD1 4.31Å; Q51-L73 HydrophobicContact CB-CD1 4.42Å; Q51-L73 HydrophobicContact CB-CD2 4.07Å; L52-L73 HydrophobicContact CD2-CD2 3.88Å; L52-L73 HydrophobicContact CD2-CG 4.43Å; L52-L73 HydrophobicContact CG-CD2 4.37Å; A55-L73 HydrophobicContact CB-CD2 3.7Å; W56-L73 VanDerWaalsContact CD1-O 3.26Å; W56-L73 PolarHBondContact NE1-O 3.32Å; D71-L73 PolarHBondContact O-N 3.23Å; D71-L73 WeakPolarHBondContact OD1-CB 3.49Å; D71-L73 PolarHBondContact OD1-N 2.79Å; D71-L73 VanDerWaalsContact OD1-N 3.1Å; L73-T223 HydrophobicContact CB-CG2 3.91Å; L73-T223 CarbonylContact O-C 3.49Å; L73-T223 WeakPolarHBondContact O-CA 3.13Å; L73-M224 PolarHBondContact O-N 3.46Å; L73-R225 HydrophobicContact CD1-CG 4.09Å
74	T	98.9	Very high	98.5	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.4	-172.8	-61.3	0	0	0	0	110.7	K68 D71 E221 V222 T223	K68-T74 HydrophobicContact CD-CG2 3.78Å; K68-T74 PolarHBondContact N-O 2.95Å; D71-T74 PolarHBondContact O-N 3.34Å; D71-T74 VanDerWaalsContact OD2-CB 3.31Å; D71-T74 WeakPolarHBondContact OD2-CB 3.32Å; D71-T74 PolarHBondContact OD2-OG1 3.31Å; T74-E221 HydrophobicContact CG2-CB 3.82Å; T74-V222 WeakPolarHBondContact CA-O 3.04Å; T74-T223 VanDerWaalsContact OG1-CB 3.29Å; T74-T223 WeakPolarHBondContact OG1-CB 3.37Å; T74-T223 WeakPolarHBondContact OG1-CG2 3.26Å; T74-T223 PolarHBondContact OG1-OG1 2.81Å
75	F	98.9	Very high	98.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	154.7	165.1	78.7	-97.4	0	0	0	110.7	W56 V65 F66 R77 I87 V213 E221 V222	W56-F75 AromaticContact CD1-CD1 3.8Å; W56-F75 HydrophobicContact CD2-CD1 4.2Å; W56-F75 AromaticContact CE2-CD1 3.83Å; W56-F75 HydrophobicContact CG-CD1 4.19Å; W56-F75 HydrophobicContact CZ2-CD1 4.42Å; W56-F75 HydrophobicContact CZ2-CE1 4.26Å; W56-F75 AromaticContact NE1-CD1 3.54Å; V65-F75 HydrophobicContact CB-CD2 3.9Å; V65-F75 HydrophobicContact CB-CE2 4.4Å; V65-F75 HydrophobicContact CG1-CD2 4Å; V65-F75 HydrophobicContact CG1-CE2 4.01Å; F66-F75 CarbonylContact O-C 3.34Å; F66-F75 WeakPolarHBondContact O-CA 3.42Å; F66-F75 WeakPolarHBondContact O-CB 3.23Å; F75-R77 HydrophobicContact CE2-CB 4.41Å; F75-I87 HydrophobicContact CB-CD1 4.27Å; F75-I87 HydrophobicContact CD1-CG2 3.41Å; F75-I87 VanDerWaalsContact CD1-CG2 3.41Å; F75-I87 HydrophobicContact CD2-CG2 4.49Å; F75-I87 HydrophobicContact CE1-CG2 3.46Å; F75-I87 VanDerWaalsContact CE1-CG2 3.46Å; F75-I87 HydrophobicContact CG-CG2 3.96Å; F75-I87 HydrophobicContact CZ-CG2 4.09Å; F75-V213 HydrophobicContact CE1-CG2 3.42Å; F75-V213 VanDerWaalsContact CE1-CG2 3.42Å; F75-V213 HydrophobicContact CZ-CG2 3.63Å; F75-E221 VanDerWaalsContact O-CA 3.25Å; F75-E221 WeakPolarHBondContact O-CA 3.46Å; F75-V222 HydrophobicContact CD1-CB 4.08Å; F75-V222 HydrophobicContact CE1-CB 3.46Å; F75-V222 VanDerWaalsContact CE1-CB 3.46Å; F75-V222 HydrophobicContact CE1-CG1 4.14Å; F75-V222 HydrophobicContact CE1-CG2 3.92Å; F75-V222 HydrophobicContact CE2-CG2 4.28Å; F75-V222 HydrophobicContact CZ-CB 3.7Å; F75-V222 HydrophobicContact CZ-CG2 3.59Å; F75-V222 PolarHBondContact N-O 2.91Å; F75-V222 PolarHBondContact O-N 2.93Å; F75-V222 VanDerWaalsContact O-N 3.11Å
76	H	98.9	Very high	98.5	Very high	28 Å²	28	50.4 Å²	50.4	13%	0.13	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.9	171.2	-174.9	104.2	0	0	0	109.6	V65 F66 K68 H219 C220 E221	V65-H76 CarbonylContact C-O 3.56Å; V65-H76 VanDerWaalsContact CA-O 3.26Å; V65-H76 WeakPolarHBondContact CA-O 3.35Å; F66-H76 HydrophobicContact CD1-CB 4.45Å; F66-H76 HydrophobicContact CE1-CB 3.87Å; F66-H76 AromaticContact CE1-CD2 3.58Å; F66-H76 AromaticContact CE1-CG 3.99Å; F66-H76 HydrophobicContact CE2-CB 3.94Å; F66-H76 HydrophobicContact CZ-CB 3.59Å; F66-H76 AromaticContact CZ-CD2 3.74Å; F66-H76 AromaticContact CZ-CG 3.78Å; F66-H76 PolarHBondContact N-O 3.22Å; F66-H76 PolarHBondContact O-N 3.21Å; K68-H76 HydrophobicContact CG-CB 4.18Å; H76-H219 AromaticContact CE1-ND1 3.73Å; H76-H219 AromaticContact NE2-CG 3.95Å; H76-H219 AromaticContact NE2-ND1 3.22Å; H76-H219 PolarHBondContact NE2-ND1 2.94Å; H76-C220 WeakPolarHBondContact CA-O 3.39Å; H76-E221 HydrophobicContact CB-CG 4.25Å; H76-E221 IonicContact CE1-OE1 3.86Å; H76-E221 IonicContact CG-OE1 3.93Å; H76-E221 WeakPolarHBondContact ND1-CG 3.35Å; H76-E221 IonicContact ND1-OE1 2.95Å; H76-E221 PolarHBondContact ND1-OE1 3.04Å
77	R	98.9	Very high	98.5	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.9	176.1	-178.8	173.3	174.7	-73.9	-7.8	111.9	V65 F75 V80 S83 D85 A215 V216 W217 H219 C220	V65-R77 HydrophobicContact CG1-CB 3.86Å; V65-R77 HydrophobicContact CG1-CG 3.89Å; F75-R77 HydrophobicContact CE2-CB 4.41Å; R77-V80 PolarHBondContact NH2-O 2.86Å; R77-S83 PolarHBondContact NH2-O 2.77Å; R77-D85 IonicContact CZ-OD2 2.87Å; R77-D85 VanDerWaalsContact CZ-OD2 3.28Å; R77-D85 IonicContact NE-OD2 3.95Å; R77-D85 PolarHBondContact NE-OD2 3.19Å; R77-D85 IonicContact NH2-OD2 2.85Å; R77-D85 PolarHBondContact NH2-OD2 3.1Å; R77-A215 PolarHBondContact NE-O 3.07Å; R77-V216 VanDerWaalsContact NH1-C 3.34Å; R77-V216 PolarHBondContact NH1-O 3.22Å; R77-W217 WeakPolarHBondContact CD-O 3.45Å; R77-W217 PolarHBondContact NH1-O 2.56Å; R77-H219 VanDerWaalsContact O-CA 3.26Å; R77-H219 WeakPolarHBondContact O-CA 3.45Å; R77-H219 PolarHBondContact O-N 2.57Å; R77-C220 VanDerWaalsContact CB-SG 3.55Å; R77-C220 PolarHBondContact N-O 2.88Å
78	H	98.6	Very high	98.5	Very high	83 Å²	83	46.5 Å²	46.5	38%	0.384	24%	0.244	S	C	.	.			trans	-61.6	148.1	171.3	-70	-60.5	0	0	0	111.6	N64 F66 V80	N64-H78 PolarHBondContact O-N 3.41Å; F66-H78 AromaticContact CD1-CE1 3.74Å; F66-H78 AromaticContact CD1-NE2 3.48Å; F66-H78 WeakPolarHBondContact CD1-NE2 3.46Å; F66-H78 AromaticContact CE1-CE1 3.47Å; F66-H78 VanDerWaalsContact CE1-CE1 3.47Å; F66-H78 WeakPolarHBondContact CE1-CE1 3.34Å; F66-H78 AromaticContact CE1-NE2 3.72Å; H78-V80 HydrophobicContact CB-CG2 3.95Å; H78-V80 PolarHBondContact O-N 3.42Å
79	P	98.3	Very high	98.5	Very high	77 Å²	77	44.9 Å²	44.9	50%	0.5	24%	0.236	S	C	.	.			trans	-77.4	60.9	-177.8	35.5	-39.1	0	0	0	112.3	H219	P79-H219 WeakPolarHBondContact CG-NE2 3.26Å
80	V	98.3	Very high	98.6	Very high	52 Å²	52	41.1 Å²	41.1	32%	0.315	21%	0.212	S	C	.	.			trans	-87.2	120.9	179.8	-173	0	0	0	0	109.5	N64 R77 H78	N64-V80 HydrophobicContact CB-CG2 4.1Å; R77-V80 PolarHBondContact NH2-O 2.86Å; H78-V80 HydrophobicContact CB-CG2 3.95Å; H78-V80 PolarHBondContact O-N 3.42Å
81	A	97.3	Very high	98.6	Very high	71 Å²	71	37 Å²	37	59%	0.587	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	150.5	177.8	0	0	0	0	0	111.6	S83	A81-S83 PolarHBondContact O-N 3.37Å
82	Q	97.9	Very high	98.7	Very high	115 Å²	115	35.5 Å²	35.5	54%	0.537	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.6	43.3	177.9	-62.6	-63.1	-29.1	0	0	112.7	G128 Y129	Q82-G128 PolarHBondContact O-N 3.29Å; Q82-Y129 VanDerWaalsContact N-CZ 3.3Å; Q82-Y129 PolarHBondContact N-OH 2.81Å
83	S	98.6	Very high	98.7	Very high	3 Å²	3	28.8 Å²	28.8	2%	0.021	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	137.2	-179.6	-178.6	0	0	0	0	110.1	N64 R77 A81 D85 H125 G128	N64-S83 PolarHBondContact ND2-OG 3.42Å; R77-S83 PolarHBondContact NH2-O 2.77Å; A81-S83 PolarHBondContact O-N 3.37Å; S83-D85 WeakPolarHBondContact CB-OD2 3.44Å; S83-D85 PolarHBondContact OG-OD1 3.46Å; S83-D85 PolarHBondContact OG-OD2 2.9Å; S83-H125 PolarHBondContact OG-CE1 3.42Å; S83-H125 PolarHBondContact OG-ND1 3.13Å; S83-G128 CarbonylContact C-O 3.3Å; S83-G128 VanDerWaalsContact C-O 3.3Å
84	T	98.9	Very high	98.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129	167.5	-54.9	0	0	0	0	108.3	H125 S126 G128 Y129 T130 L132 V216	T84-H125 WeakPolarHBondContact O-CA 3.44Å; T84-H125 PolarHBondContact O-ND1 3.19Å; T84-S126 PolarHBondContact N-O 2.84Å; T84-S126 PolarHBondContact O-N 3.21Å; T84-G128 PolarHBondContact N-O 3.13Å; T84-G128 PolarHBondContact OG1-O 3.46Å; T84-Y129 WeakPolarHBondContact OG1-CA 3.34Å; T84-T130 WeakPolarHBondContact CG2-O 3.47Å; T84-T130 PolarHBondContact OG1-N 3.04Å; T84-T130 PolarHBondContact OG1-OG1 2.93Å; T84-L132 HydrophobicContact CG2-CB 3.51Å; T84-L132 HydrophobicContact CG2-CD2 4.15Å; T84-L132 HydrophobicContact CG2-CG 4.49Å; T84-V216 HydrophobicContact CG2-CG1 3.99Å
85	D	98.9	Very high	98.5	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	131.9	-167.5	-58.6	-74.8	0	0	0	111.1	S62 N64 V65 R77 S83 H125 S214 A215	S62-D85 PolarHBondContact OG-OD1 3.5Å; N64-D85 HydrophobicContact CB-CB 4.42Å; N64-D85 WeakPolarHBondContact CB-OD1 3.43Å; N64-D85 PolarHBondContact ND2-OD1 3.41Å; V65-D85 HydrophobicContact CG1-CB 3.84Å; R77-D85 IonicContact CZ-OD2 2.87Å; R77-D85 VanDerWaalsContact CZ-OD2 3.28Å; R77-D85 IonicContact NE-OD2 3.95Å; R77-D85 PolarHBondContact NE-OD2 3.19Å; R77-D85 IonicContact NH2-OD2 2.85Å; R77-D85 PolarHBondContact NH2-OD2 3.1Å; S83-D85 WeakPolarHBondContact CB-OD2 3.44Å; S83-D85 PolarHBondContact OG-OD1 3.46Å; S83-D85 PolarHBondContact OG-OD2 2.9Å; D85-H125 IonicContact OD1-CE1 3.72Å; D85-H125 IonicContact OD1-ND1 3.74Å; D85-H125 PolarHBondContact OD1-ND1 2.74Å; D85-S214 CarbonylContact O-C 3.51Å; D85-S214 WeakPolarHBondContact O-CA 3.23Å; D85-A215 PolarHBondContact N-O 2.88Å; D85-A215 PolarHBondContact O-N 2.81Å
86	G	98.9	Very high	98.4	Very high	1 Å²	1	39 Å²	39	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	167.6	-179.7	0	0	0	0	0	113.5	S62 L124 V213	S62-G86 PolarHBondContact N-O 3.48Å; G86-L124 PolarHBondContact N-O 3.13Å; G86-V213 WeakPolarHBondContact CA-O 3.08Å
87	I	98.9	Very high	98.3	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	139.8	177.8	-179.6	160.1	0	0	0	109	W56 R61 V65 V67 F75 V212 V213	W56-I87 HydrophobicContact CB-CD1 3.78Å; W56-I87 HydrophobicContact CB-CG1 4.18Å; W56-I87 HydrophobicContact CD2-CG2 4.13Å; W56-I87 HydrophobicContact CE3-CG1 4.27Å; W56-I87 HydrophobicContact CE3-CG2 3.98Å; W56-I87 HydrophobicContact CG-CD1 4.37Å; W56-I87 HydrophobicContact CZ3-CG2 4.39Å; R61-I87 HydrophobicContact CB-CB 3.99Å; R61-I87 HydrophobicContact CB-CD1 3.73Å; R61-I87 HydrophobicContact CB-CG1 3.74Å; V65-I87 HydrophobicContact CG2-CB 4.13Å; V65-I87 HydrophobicContact CG2-CD1 4.35Å; V67-I87 HydrophobicContact CG2-CD1 3.91Å; F75-I87 HydrophobicContact CB-CD1 4.27Å; F75-I87 HydrophobicContact CD1-CG2 3.41Å; F75-I87 VanDerWaalsContact CD1-CG2 3.41Å; F75-I87 HydrophobicContact CD2-CG2 4.49Å; F75-I87 HydrophobicContact CE1-CG2 3.46Å; F75-I87 VanDerWaalsContact CE1-CG2 3.46Å; F75-I87 HydrophobicContact CG-CG2 3.96Å; F75-I87 HydrophobicContact CZ-CG2 4.09Å; I87-V212 WeakPolarHBondContact O-CA 3.29Å; I87-V212 WeakPolarHBondContact O-CG2 2.83Å; I87-V213 HydrophobicContact CG2-CG2 4.22Å; I87-V213 PolarHBondContact N-O 2.81Å; I87-V213 PolarHBondContact O-N 2.85Å
88	R	98.9	Very high	98.3	Very high	14 Å²	14	38.8 Å²	38.8	5%	0.053	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	152.9	175.6	-85.5	-178.9	-71.3	-99.9	-3.7	111.8	N57 D60 T119 A120 A122 L124 P211 V212	N57-R88 WeakPolarHBondContact CB-O 3.45Å; N57-R88 PolarHBondContact N-O 2.98Å; D60-R88 VanDerWaalsContact CG-NE 3.34Å; D60-R88 PolarHBondContact O-N 3.3Å; D60-R88 VanDerWaalsContact O-N 3.09Å; D60-R88 IonicContact OD1-CZ 2.93Å; D60-R88 IonicContact OD1-NE 3.85Å; D60-R88 PolarHBondContact OD1-NE 2.98Å; D60-R88 IonicContact OD1-NH2 3.37Å; D60-R88 PolarHBondContact OD1-NH2 3.29Å; D60-R88 WeakPolarHBondContact OD2-CB 3.28Å; D60-R88 IonicContact OD2-CZ 3.84Å; D60-R88 IonicContact OD2-NE 2.63Å; D60-R88 PolarHBondContact OD2-NE 3.47Å; D60-R88 IonicContact OD2-NH2 3.31Å; R88-T119 PolarHBondContact NH1-O 3.14Å; R88-A120 PolarHBondContact NH2-O 3.22Å; R88-A122 PolarHBondContact NH1-O 3.35Å; R88-L124 HydrophobicContact CG-CD2 4.22Å; R88-P211 CarbonylContact C-O 3.43Å; R88-P211 VanDerWaalsContact CA-O 3.28Å; R88-P211 WeakPolarHBondContact CA-O 3.39Å; R88-V212 HydrophobicContact CG-CB 4.13Å; R88-V212 HydrophobicContact CG-CG2 3.92Å
89	G	98.9	Very high	98.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	157.8	163.7	0	0	0	0	0	111.3	A55 V91 Y210 P211	A55-G89 WeakPolarHBondContact O-CA 3.34Å; G89-V91 PolarHBondContact O-N 3.32Å; G89-Y210 WeakPolarHBondContact O-CD1 3.47Å; G89-P211 PolarHBondContact N-O 2.82Å
90	K	98.9	Very high	98.4	Very high	81 Å²	81	31.3 Å²	31.3	35%	0.352	17%	0.17	S	C	.	.	S	Bend	trans	-67.4	-32.5	-179	-71	170.1	-173.3	170.3	0	113.9	L52 R53 A55 W56 N57	L52-K90 PolarHBondContact O-NZ 3.45Å; L52-K90 VanDerWaalsContact O-NZ 3.13Å; R53-K90 WeakPolarHBondContact O-CB 3.36Å; A55-K90 WeakPolarHBondContact O-CG 3.34Å; A55-K90 PolarHBondContact O-N 2.91Å; W56-K90 VanDerWaalsContact O-CE 3.23Å; W56-K90 WeakPolarHBondContact O-CE 3.23Å; N57-K90 HydrophobicContact CB-CB 4.45Å; N57-K90 HydrophobicContact CB-CG 3.68Å
91	V	98.8	Very high	98.4	Very high	46 Å²	46	31.2 Å²	31.2	28%	0.279	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-101.5	126.3	-173	179.1	0	0	0	0	110.1	R53 G89 Y210	R53-V91 WeakPolarHBondContact O-CG2 3.27Å; G89-V91 PolarHBondContact O-N 3.32Å; V91-Y210 VanDerWaalsContact C-CD1 3.44Å; V91-Y210 WeakPolarHBondContact O-CD1 3.36Å
92	G	98.7	Very high	98.5	Very high	14 Å²	14	27.9 Å²	27.9	14%	0.144	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-97.3	118.6	170.2	0	0	0	0	0	110	K208 L209 Y210	G92-K208 VanDerWaalsContact O-CE 3.28Å; G92-K208 WeakPolarHBondContact O-CE 3.46Å; G92-L209 CarbonylContact C-O 3.56Å; G92-L209 WeakPolarHBondContact CA-O 3.41Å; G92-Y210 VanDerWaalsContact N-CD1 3.3Å
93	H	98.6	Very high	98.5	Very high	8 Å²	8	24.5 Å²	24.5	4%	0.037	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-85	133.6	-177.6	-57.7	-75.1	0	0	0	110.7	H54 H98 L181 M183 K208 L209	H54-H93 AromaticContact CD2-CE1 3.75Å; H93-H98 AromaticContact CE1-CE1 3.84Å; H93-H98 AromaticContact CE1-CG 3.72Å; H93-H98 AromaticContact CE1-ND1 3.57Å; H93-H98 AromaticContact CG-CD2 3.55Å; H93-H98 AromaticContact CG-CG 3.89Å; H93-H98 AromaticContact CG-NE2 3.73Å; H93-H98 AromaticContact ND1-CD2 3.29Å; H93-H98 PolarHBondContact ND1-CD2 3.09Å; H93-H98 VanDerWaalsContact ND1-CD2 3.29Å; H93-H98 AromaticContact ND1-CE1 3.25Å; H93-H98 PolarHBondContact ND1-CE1 3.3Å; H93-H98 AromaticContact ND1-CG 3.4Å; H93-H98 AromaticContact ND1-ND1 3.37Å; H93-H98 PolarHBondContact ND1-ND1 3.03Å; H93-H98 AromaticContact ND1-NE2 3.14Å; H93-H98 PolarHBondContact ND1-NE2 3.04Å; H93-H98 VanDerWaalsContact ND1-NE2 3.14Å; H93-L181 HydrophobicContact CB-CD2 3.94Å; H93-M183 HydrophobicContact CB-CG 4.06Å; H93-K208 CarbonylContact O-C 3.55Å; H93-K208 WeakPolarHBondContact O-CA 3.45Å; H93-L209 PolarHBondContact N-O 2.95Å; H93-L209 PolarHBondContact O-N 2.93Å
94	A	97.6	Very high	98.5	Very high	59 Å²	59	24.3 Å²	24.3	49%	0.488	12%	0.123	S	C	.	.			trans	-124.8	-12	-179	0	0	0	0	0	113.6
95	R	96.5	Very high	98.5	Very high	166 Å²	166	25.8 Å²	25.8	63%	0.626	13%	0.133	S	C	*	.	S	Bend	trans	-157.9	164.5	-179.4	67.4	-178.8	-172.2	-159.8	2.9	109.1	H98 M183	R95-H98 PolarHBondContact O-NE2 2.8Å; R95-M183 VanDerWaalsContact CA-CB 3.48Å
96	G	96.6	Very high	98.4	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	82.7	171.2	176.9	0	0	0	0	0	114.1	M183 D184 L230	G96-M183 WeakPolarHBondContact O-CB 3.27Å; G96-M183 PolarHBondContact O-N 2.94Å; G96-D184 WeakPolarHBondContact CA-OD2 3.26Å; G96-D184 PolarHBondContact N-OD1 2.79Å; G96-L230 CarbonylContact C-O 3.59Å; G96-L230 WeakPolarHBondContact CA-O 3.46Å
97	L	98.2	Very high	98.3	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.9	172.4	178.4	67.1	0	0	0	109.1	R36 L37 L40 V180 L181 D182 G229 L230	R36-L97 HydrophobicContact CB-CD2 3.93Å; L37-L97 HydrophobicContact CB-CD2 4.42Å; L40-L97 HydrophobicContact CB-CD2 4.29Å; L40-L97 HydrophobicContact CD1-CB 4.31Å; L40-L97 HydrophobicContact CD1-CD2 3.89Å; L40-L97 HydrophobicContact CD1-CG 3.71Å; L97-V180 HydrophobicContact CD1-CG1 3.65Å; L97-L181 CarbonylContact C-O 3.53Å; L97-L181 WeakPolarHBondContact CA-O 3.17Å; L97-D182 HydrophobicContact CD1-CB 3.65Å; L97-G229 CarbonylContact O-C 3.58Å; L97-G229 WeakPolarHBondContact O-CA 3.41Å; L97-L230 HydrophobicContact CB-CB 4.36Å; L97-L230 HydrophobicContact CD2-CD1 4.33Å; L97-L230 PolarHBondContact N-O 3.03Å; L97-L230 PolarHBondContact O-N 2.88Å
98	H	98.7	Very high	98.3	Very high	21 Å²	21	41.3 Å²	41.3	10%	0.097	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141.5	-178.8	-60.9	-76.3	0	0	0	110.4	H93 R95 W100 V180 L181 Y226	H93-H98 AromaticContact CE1-CE1 3.84Å; H93-H98 AromaticContact CE1-CG 3.72Å; H93-H98 AromaticContact CE1-ND1 3.57Å; H93-H98 AromaticContact CG-CD2 3.55Å; H93-H98 AromaticContact CG-CG 3.89Å; H93-H98 AromaticContact CG-NE2 3.73Å; H93-H98 AromaticContact ND1-CD2 3.29Å; H93-H98 PolarHBondContact ND1-CD2 3.09Å; H93-H98 VanDerWaalsContact ND1-CD2 3.29Å; H93-H98 AromaticContact ND1-CE1 3.25Å; H93-H98 PolarHBondContact ND1-CE1 3.3Å; H93-H98 AromaticContact ND1-CG 3.4Å; H93-H98 AromaticContact ND1-ND1 3.37Å; H93-H98 PolarHBondContact ND1-ND1 3.03Å; H93-H98 AromaticContact ND1-NE2 3.14Å; H93-H98 PolarHBondContact ND1-NE2 3.04Å; H93-H98 VanDerWaalsContact ND1-NE2 3.14Å; R95-H98 PolarHBondContact O-NE2 2.8Å; H98-W100 HydrophobicContact CB-CE3 4.41Å; H98-W100 HydrophobicContact CB-CZ3 4.09Å; H98-V180 WeakPolarHBondContact O-CA 3.41Å; H98-L181 PolarHBondContact N-O 3.3Å; H98-L181 PolarHBondContact O-N 3.14Å; H98-Y226 HydrophobicContact CB-CE2 4.25Å; H98-Y226 AromaticContact ND1-CZ 3.9Å; H98-Y226 PolarHBondContact ND1-OH 2.98Å
99	A	98.8	Very high	98.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	140	170.9	0	0	0	0	0	111.5	L40 V179 V180 I227 N228	L40-A99 HydrophobicContact CD1-CB 4.48Å; L40-A99 HydrophobicContact CD2-CB 3.62Å; A99-V179 VanDerWaalsContact CA-O 3.26Å; A99-V179 WeakPolarHBondContact CA-O 3.49Å; A99-V180 HydrophobicContact CB-CG2 4.37Å; A99-I227 HydrophobicContact CB-CB 4.35Å; A99-I227 WeakPolarHBondContact O-CA 3.29Å; A99-I227 WeakPolarHBondContact O-CB 3.19Å; A99-I227 PolarHBondContact O-N 2.79Å; A99-N228 PolarHBondContact N-O 3.45Å; A99-N228 PolarHBondContact O-N 3.17Å
100	W	98.9	Very high	98.1	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	147	171.6	59.5	91.9	0	0	0	110.5	H98 V117 L178 V179 L181 P211 M224 R225 Y226	H98-W100 HydrophobicContact CB-CE3 4.41Å; H98-W100 HydrophobicContact CB-CZ3 4.09Å; W100-V117 HydrophobicContact CH2-CG1 3.72Å; W100-V117 HydrophobicContact CZ2-CG1 3.81Å; W100-L178 WeakPolarHBondContact O-CA 3.13Å; W100-V179 HydrophobicContact CD2-CB 4.12Å; W100-V179 HydrophobicContact CD2-CG1 4.48Å; W100-V179 HydrophobicContact CG-CB 4.35Å; W100-V179 HydrophobicContact CH2-CG1 4.1Å; W100-V179 HydrophobicContact CZ2-CB 3.91Å; W100-V179 HydrophobicContact CZ2-CG1 3.4Å; W100-V179 VanDerWaalsContact CZ2-CG1 3.4Å; W100-V179 PolarHBondContact N-O 2.79Å; W100-V179 PolarHBondContact O-N 2.94Å; W100-L181 HydrophobicContact CH2-CB 3.69Å; W100-L181 HydrophobicContact CH2-CD2 4Å; W100-L181 HydrophobicContact CH2-CG 4.49Å; W100-L181 HydrophobicContact CZ3-CB 3.76Å; W100-L181 HydrophobicContact CZ3-CD2 4.28Å; W100-P211 HydrophobicContact CD2-CB 4.37Å; W100-P211 HydrophobicContact CD2-CG 4.08Å; W100-P211 HydrophobicContact CE3-CG 4.26Å; W100-P211 HydrophobicContact CH2-CB 4.43Å; W100-P211 HydrophobicContact CH2-CG 3.99Å; W100-P211 HydrophobicContact CZ2-CB 3.75Å; W100-P211 HydrophobicContact CZ2-CG 3.79Å; W100-P211 HydrophobicContact CZ3-CG 4.22Å; W100-M224 HydrophobicContact CB-CG 4.26Å; W100-M224 HydrophobicContact CG-CG 4.24Å; W100-M224 HydrophobicContact CG-SD 4.13Å; W100-R225 CarbonylContact C-O 3.38Å; W100-R225 WeakPolarHBondContact CA-O 3.33Å; W100-Y226 HydrophobicContact CB-CD2 4.42Å
101	Q	98.9	Very high	98.1	Very high	51 Å²	51	43.3 Å²	43.3	24%	0.238	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	137.3	171.5	-176	-179.8	72	0	0	109.8	L177 L178 M224 R225 I227	Q101-L177 WeakPolarHBondContact CA-O 3.5Å; Q101-L178 HydrophobicContact CB-CD2 3.7Å; Q101-L178 HydrophobicContact CG-CD2 4.25Å; Q101-M224 CarbonylContact O-C 3.58Å; Q101-M224 WeakPolarHBondContact O-CA 3.41Å; Q101-R225 HydrophobicContact CB-CB 4.45Å; Q101-R225 PolarHBondContact N-O 2.8Å; Q101-R225 PolarHBondContact O-N 2.88Å; Q101-I227 HydrophobicContact CB-CD1 4.13Å
102	I	98.9	Very high	98	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	126.5	162	-64.9	-62.9	0	0	0	107.6	W56 W104 V115 S176 L177 V179 V222 T223 M224	W56-I102 HydrophobicContact CH2-CD1 4Å; W56-I102 HydrophobicContact CZ2-CD1 3.81Å; I102-W104 HydrophobicContact CG2-CB 4.17Å; I102-V115 HydrophobicContact CG1-CG1 3.87Å; I102-V115 HydrophobicContact CG2-CG2 4.23Å; I102-S176 VanDerWaalsContact O-CA 3.3Å; I102-S176 WeakPolarHBondContact O-CA 3.42Å; I102-L177 HydrophobicContact CB-CD2 4.02Å; I102-L177 HydrophobicContact CB-CG 4.37Å; I102-L177 HydrophobicContact CG2-CD2 4.11Å; I102-L177 PolarHBondContact N-O 3.35Å; I102-L177 PolarHBondContact O-N 2.86Å; I102-V179 HydrophobicContact CG1-CG2 3.96Å; I102-V222 HydrophobicContact CG2-CG1 3.87Å; I102-T223 WeakPolarHBondContact CA-O 3.38Å; I102-M224 HydrophobicContact CD1-CB 3.78Å; I102-M224 HydrophobicContact CD1-CG 3.82Å; I102-M224 HydrophobicContact CD1-SD 4.22Å
103	N	98.9	Very high	98	Very high	44 Å²	44	41.5 Å²	41.5	24%	0.235	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	111.3	166.9	-175.1	83.5	0	0	0	108.5	S176 T223	N103-S176 PolarHBondContact OD1-OG 3.09Å; N103-T223 PolarHBondContact N-O 3.28Å; N103-T223 PolarHBondContact O-N 2.99Å
104	W	98.7	Very high	98	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.			trans	-133.1	103.7	-179.5	-167.2	-19.6	0	0	0	109	I102 A106 Q108 R109 A113 V115 L144 D175 V213 S214 A215 V222	I102-W104 HydrophobicContact CG2-CB 4.17Å; W104-A106 PolarHBondContact O-N 3.43Å; W104-Q108 PolarHBondContact NE1-O 3.06Å; W104-R109 HydrophobicContact CD2-CG 4.45Å; W104-R109 HydrophobicContact CG-CG 4.28Å; W104-R109 PolarHBondContact O-NE 3.45Å; W104-R109 PolarHBondContact O-NH2 3.26Å; W104-A113 HydrophobicContact CD2-CB 4.41Å; W104-A113 HydrophobicContact CE3-CB 4.36Å; W104-A113 HydrophobicContact CH2-CB 3.61Å; W104-A113 HydrophobicContact CZ2-CB 3.64Å; W104-A113 HydrophobicContact CZ3-CB 3.97Å; W104-V115 HydrophobicContact CE3-CG2 3.99Å; W104-V115 HydrophobicContact CZ3-CG2 4.1Å; W104-L144 HydrophobicContact CE3-CD1 4.32Å; W104-D175 CarbonylContact C-O 3.58Å; W104-D175 PolarHBondContact N-O 2.72Å; W104-V213 HydrophobicContact CZ3-CB 3.94Å; W104-V213 HydrophobicContact CZ3-CG1 4.19Å; W104-V213 HydrophobicContact CZ3-CG2 4.45Å; W104-S214 WeakPolarHBondContact CH2-O 3.25Å; W104-A215 HydrophobicContact CH2-CB 3.62Å; W104-A215 HydrophobicContact CZ2-CB 3.54Å; W104-V222 HydrophobicContact CB-CG1 4.09Å; W104-V222 HydrophobicContact CB-CG2 4.38Å; W104-V222 HydrophobicContact CD2-CB 4.44Å; W104-V222 HydrophobicContact CD2-CG1 4.1Å; W104-V222 HydrophobicContact CD2-CG2 3.47Å; W104-V222 VanDerWaalsContact CD2-CG2 3.47Å; W104-V222 HydrophobicContact CE3-CG1 4Å; W104-V222 HydrophobicContact CE3-CG2 3.96Å; W104-V222 HydrophobicContact CG-CB 4.5Å; W104-V222 HydrophobicContact CG-CG1 4.19Å; W104-V222 HydrophobicContact CG-CG2 3.69Å; W104-V222 HydrophobicContact CH2-CG2 4.48Å; W104-V222 HydrophobicContact CZ2-CG2 4.06Å; W104-V222 HydrophobicContact CZ3-CG2 4.45Å
105	P	98.5	Very high	98.1	Very high	31 Å²	31	38.4 Å²	38.4	20%	0.201	19%	0.189	C	C	.	.			trans	-51.4	127.7	-179.3	-27.5	35.1	0	0	0	112	R107 Q108 E221	P105-R107 PolarHBondContact O-N 3.39Å; P105-R107 VanDerWaalsContact O-N 3.14Å; P105-Q108 HydrophobicContact CB-CB 4.29Å; P105-Q108 HydrophobicContact CB-CG 4.07Å; P105-Q108 WeakPolarHBondContact O-CA 3.44Å; P105-Q108 PolarHBondContact O-N 3.04Å; P105-E221 WeakPolarHBondContact CD-O 3.28Å
106	A	97.1	Very high	98.2	Very high	45 Å²	45	30.5 Å²	30.5	37%	0.372	16%	0.159	S	C	.	.	G	3₁₀ helix	trans	-57.8	-35.1	-173.5	0	0	0	0	0	112.8	W104 Q108 R109 D175	W104-A106 PolarHBondContact O-N 3.43Å; A106-Q108 PolarHBondContact O-N 2.72Å; A106-R109 PolarHBondContact O-N 3.1Å; A106-D175 WeakPolarHBondContact CB-OD1 3.25Å; A106-D175 PolarHBondContact N-OD1 2.93Å
107	R	97.3	Very high	98.3	Very high	228 Å²	228	30.5 Å²	30.5	86%	0.86	16%	0.159	S	C	*	.	G	3₁₀ helix	trans	-70	-10.1	176.6	-63.8	-174.7	-122.4	-93.2	0	114.2	P105	P105-R107 PolarHBondContact O-N 3.39Å; P105-R107 VanDerWaalsContact O-N 3.14Å
108	Q	98.4	Very high	98.4	Very high	54 Å²	54	30.3 Å²	30.3	25%	0.252	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-110.6	19.5	-179	-61.2	-178.7	5.9	0	0	112.8	W104 P105 A106 W217 C220	W104-Q108 PolarHBondContact NE1-O 3.06Å; P105-Q108 HydrophobicContact CB-CB 4.29Å; P105-Q108 HydrophobicContact CB-CG 4.07Å; P105-Q108 WeakPolarHBondContact O-CA 3.44Å; P105-Q108 PolarHBondContact O-N 3.04Å; A106-Q108 PolarHBondContact O-N 2.72Å; Q108-W217 HydrophobicContact CB-CG 4.5Å; Q108-W217 WeakPolarHBondContact O-CB 3.38Å; Q108-C220 HydrophobicContact CB-CB 3.85Å; Q108-C220 VanDerWaalsContact O-CB 3.3Å; Q108-C220 WeakPolarHBondContact O-CB 3.38Å
109	R	98	Very high	98.4	Very high	19 Å²	19	29.8 Å²	29.8	7%	0.072	16%	0.157	C	C	.	.			trans	-89.3	-36.3	-178	-71.2	179.8	-175.2	158.8	4.6	113.5	W104 A106 A113 L173 P174	W104-R109 HydrophobicContact CD2-CG 4.45Å; W104-R109 HydrophobicContact CG-CG 4.28Å; W104-R109 PolarHBondContact O-NE 3.45Å; W104-R109 PolarHBondContact O-NH2 3.26Å; A106-R109 PolarHBondContact O-N 3.1Å; R109-A113 HydrophobicContact CB-CB 3.57Å; R109-A113 HydrophobicContact CG-CB 3.74Å; R109-L173 PolarHBondContact NH1-O 3.19Å; R109-P174 PolarHBondContact NH2-O 2.9Å
110	G	96.2	Very high	98.4	Very high	37 Å²	37	32.7 Å²	32.7	38%	0.381	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	-150.7	-176	0	0	0	0	0	113.2
111	T	97	Very high	98.4	Very high	80 Å²	80	41.1 Å²	41.1	49%	0.491	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-24.4	-175	55.6	0	0	0	0	113.7	R146	T111-R146 PolarHBondContact O-NH1 2.89Å
112	H	98.1	Very high	98.4	Very high	22 Å²	22	39 Å²	39	10%	0.102	20%	0.203	C	C	.	.			trans	-144.4	108.6	-179.9	-58.9	84.8	0	0	0	109.6	Y129 T130 A131 D143 R146 V216	H112-Y129 PolarHBondContact CE1-O 2.87Å; H112-Y129 VanDerWaalsContact CE1-O 3.25Å; H112-T130 WeakPolarHBondContact CB-O 3.43Å; H112-T130 VanDerWaalsContact CD2-C 3.46Å; H112-A131 PolarHBondContact CD2-N 3.06Å; H112-A131 VanDerWaalsContact CD2-N 3.28Å; H112-D143 IonicContact CD2-OD2 3.57Å; H112-R146 PolarHBondContact CD2-NH1 3.26Å; H112-R146 PolarHBondContact NE2-NH1 2.9Å; H112-R146 VanDerWaalsContact NE2-NH1 3.13Å; H112-R146 PolarHBondContact NE2-NH2 3.03Å; H112-V216 HydrophobicContact CB-CG1 4.01Å; H112-V216 HydrophobicContact CB-CG2 4.32Å; H112-V216 WeakPolarHBondContact O-CG2 3.42Å
113	A	98.6	Very high	98.3	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	106.6	171.5	0	0	0	0	0	107.5	W104 R109 D143 L144	W104-A113 HydrophobicContact CD2-CB 4.41Å; W104-A113 HydrophobicContact CE3-CB 4.36Å; W104-A113 HydrophobicContact CH2-CB 3.61Å; W104-A113 HydrophobicContact CZ2-CB 3.64Å; W104-A113 HydrophobicContact CZ3-CB 3.97Å; R109-A113 HydrophobicContact CB-CB 3.57Å; R109-A113 HydrophobicContact CG-CB 3.74Å; A113-D143 WeakPolarHBondContact O-CA 3.45Å; A113-L144 HydrophobicContact CB-CD1 4.49Å; A113-L144 WeakPolarHBondContact O-CG 3.47Å; A113-L144 PolarHBondContact O-N 3.44Å
114	V	98.9	Very high	98.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131.4	-172.6	-167	0	0	0	0	110.1	A131 V133 W142 D143 V213 S214	V114-A131 HydrophobicContact CG2-CB 3.88Å; V114-V133 HydrophobicContact CB-CB 4.17Å; V114-V133 HydrophobicContact CG1-CB 3.83Å; V114-V133 HydrophobicContact CG1-CG1 4.15Å; V114-V133 WeakPolarHBondContact CG1-O 3.24Å; V114-W142 WeakPolarHBondContact CA-O 3.46Å; V114-D143 HydrophobicContact CG2-CB 4.14Å; V114-V213 CarbonylContact O-C 3.48Å; V114-V213 WeakPolarHBondContact O-CA 3.27Å; V114-V213 WeakPolarHBondContact O-CB 3.37Å; V114-S214 PolarHBondContact N-O 3.42Å; V114-S214 VanDerWaalsContact N-O 3.1Å; V114-S214 PolarHBondContact O-N 3.01Å
115	V	98.9	Very high	98.3	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136.6	179.3	178.3	0	0	0	0	110	I102 W104 G141 W142 L144 V179 F190 V213	I102-V115 HydrophobicContact CG1-CG1 3.87Å; I102-V115 HydrophobicContact CG2-CG2 4.23Å; W104-V115 HydrophobicContact CE3-CG2 3.99Å; W104-V115 HydrophobicContact CZ3-CG2 4.1Å; V115-G141 CarbonylContact O-C 3.53Å; V115-G141 WeakPolarHBondContact O-CA 2.93Å; V115-W142 PolarHBondContact N-O 3.26Å; V115-W142 PolarHBondContact O-N 3.02Å; V115-L144 HydrophobicContact CB-CD2 4.4Å; V115-L144 HydrophobicContact CG2-CD1 3.87Å; V115-L144 HydrophobicContact CG2-CD2 4.12Å; V115-L144 HydrophobicContact CG2-CG 4.18Å; V115-V179 HydrophobicContact CG1-CG2 3.68Å; V115-F190 HydrophobicContact CG1-CE1 4.29Å; V115-V213 HydrophobicContact CB-CG1 4.35Å; V115-V213 HydrophobicContact CG1-CG1 4.34Å; V115-V213 HydrophobicContact CG2-CG1 3.94Å
116	G	98.9	Very high	98.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175	-136.7	171	0	0	0	0	0	114.3	W140 V212	G116-W140 VanDerWaalsContact CA-O 3.3Å; G116-W140 WeakPolarHBondContact CA-O 3.43Å; G116-V212 CarbonylContact C-O 3.59Å; G116-V212 PolarHBondContact N-O 3.2Å; G116-V212 PolarHBondContact O-N 3.49Å
117	V	99	Very high	98.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	151.7	-178	-58.6	0	0	0	0	111.5	W100 S139 W140 L181 L188 L204 L209 Y210	W100-V117 HydrophobicContact CH2-CG1 3.72Å; W100-V117 HydrophobicContact CZ2-CG1 3.81Å; V117-S139 WeakPolarHBondContact O-CA 3.24Å; V117-W140 HydrophobicContact CG2-CB 4.24Å; V117-W140 HydrophobicContact CG2-CE3 4.05Å; V117-W140 PolarHBondContact N-O 2.89Å; V117-W140 PolarHBondContact O-N 2.65Å; V117-L181 HydrophobicContact CG1-CD1 4.38Å; V117-L181 HydrophobicContact CG1-CD2 4.19Å; V117-L188 HydrophobicContact CG1-CD1 3.85Å; V117-L188 HydrophobicContact CG1-CD2 4.34Å; V117-L188 HydrophobicContact CG2-CD2 4.04Å; V117-L204 HydrophobicContact CG2-CD1 4.46Å; V117-L209 HydrophobicContact CB-CB 4.25Å; V117-L209 HydrophobicContact CG2-CB 4.44Å; V117-L209 HydrophobicContact CG2-CD1 3.92Å; V117-Y210 CarbonylContact C-O 3.51Å; V117-Y210 VanDerWaalsContact CA-O 3.22Å; V117-Y210 WeakPolarHBondContact CA-O 3.42Å
118	A	98.9	Very high	98.4	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	157.2	178.3	0	0	0	0	0	112.3	A122 E138 L209 Y210 V212	A118-A122 HydrophobicContact CB-CB 3.67Å; A118-E138 CarbonylContact C-O 3.49Å; A118-E138 WeakPolarHBondContact CA-O 3.31Å; A118-L209 CarbonylContact O-C 3.59Å; A118-L209 WeakPolarHBondContact O-CA 3.39Å; A118-Y210 PolarHBondContact N-O 2.88Å; A118-Y210 PolarHBondContact O-N 3.44Å; A118-V212 HydrophobicContact CB-CB 4.07Å; A118-V212 HydrophobicContact CB-CG1 3.68Å; A118-V212 HydrophobicContact CB-CG2 4.35Å
119	T	98.9	Very high	98.4	Very high	10 Å²	10	39.7 Å²	39.7	6%	0.061	22%	0.222	C	C	.	.			trans	-73.1	170.7	162.2	79.6	0	0	0	0	110	R88 R121 A122 E138 W140 L209	R88-T119 PolarHBondContact NH1-O 3.14Å; T119-R121 PolarHBondContact O-N 3.49Å; T119-R121 PolarHBondContact OG1-N 2.69Å; T119-R121 VanDerWaalsContact OG1-N 3.07Å; T119-A122 PolarHBondContact O-N 3.23Å; T119-E138 WeakPolarHBondContact CB-OE2 3.37Å; T119-E138 WeakPolarHBondContact CG2-OE2 3.49Å; T119-E138 PolarHBondContact N-O 2.92Å; T119-E138 PolarHBondContact OG1-OE2 3.16Å; T119-W140 HydrophobicContact CG2-CH2 4.43Å; T119-W140 HydrophobicContact CG2-CZ3 4.21Å; T119-L209 HydrophobicContact CG2-CD2 3.93Å
120	A	98.8	Very high	98.4	Very high	61 Å²	61	40.9 Å²	40.9	50%	0.504	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.4	172.2	0	0	0	0	0	113.5	R88 Y210	R88-A120 PolarHBondContact NH2-O 3.22Å; A120-Y210 HydrophobicContact CB-CE2 3.99Å
121	R	98.8	Very high	98.5	Very high	180 Å²	180	40 Å²	40	68%	0.679	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-18.1	-178.7	-64.8	-173.3	-63.7	-85.8	-3.9	113.6	T119 E138	T119-R121 PolarHBondContact O-N 3.49Å; T119-R121 PolarHBondContact OG1-N 2.69Å; T119-R121 VanDerWaalsContact OG1-N 3.07Å; R121-E138 HydrophobicContact CB-CG 4.12Å; R121-E138 IonicContact CZ-OE1 3.08Å; R121-E138 IonicContact CZ-OE2 3.44Å; R121-E138 VanDerWaalsContact CZ-OE2 3.31Å; R121-E138 VanDerWaalsContact NE-CD 3.3Å; R121-E138 IonicContact NE-OE1 3.75Å; R121-E138 PolarHBondContact NE-OE1 2.72Å; R121-E138 IonicContact NE-OE2 2.71Å; R121-E138 PolarHBondContact NE-OE2 3.3Å; R121-E138 VanDerWaalsContact NH2-CD 3.3Å; R121-E138 IonicContact NH2-OE1 3.63Å; R121-E138 PolarHBondContact NH2-OE1 2.92Å; R121-E138 IonicContact NH2-OE2 2.79Å; R121-E138 PolarHBondContact NH2-OE2 3.33Å
122	A	98.8	Very high	98.5	Very high	5 Å²	5	36.7 Å²	36.7	4%	0.041	20%	0.2	C	C	.	.	S	Bend	trans	-60.6	136.2	-177.4	0	0	0	0	0	110.8	R88 A118 T119 E138	R88-A122 PolarHBondContact NH1-O 3.35Å; A118-A122 HydrophobicContact CB-CB 3.67Å; T119-A122 PolarHBondContact O-N 3.23Å; A122-E138 HydrophobicContact CB-CB 3.83Å
123	P	98.6	Very high	98.6	Very high	60 Å²	60	36 Å²	36	39%	0.39	20%	0.197	S	C	.	.			trans	-66.2	142.6	175.7	27.4	-33.5	0	0	0	110.9	L132 D136	P123-L132 HydrophobicContact CG-CD1 4.07Å; P123-D136 VanDerWaalsContact CD-OD2 3.27Å; P123-D136 WeakPolarHBondContact CD-OD2 3.19Å
124	L	98.9	Very high	98.6	Very high	18 Å²	18	35.9 Å²	35.9	9%	0.094	20%	0.197	C	C	.	.	S	Bend	trans	-105.7	5.4	178.1	-63.7	-176	0	0	0	113.4	D60 S62 G86 R88 V212	D60-L124 WeakPolarHBondContact O-CD1 3.21Å; D60-L124 WeakPolarHBondContact OD1-CD1 3.36Å; S62-L124 WeakPolarHBondContact CB-O 3.05Å; G86-L124 PolarHBondContact N-O 3.13Å; R88-L124 HydrophobicContact CG-CD2 4.22Å; L124-V212 HydrophobicContact CD2-CG2 3.93Å
125	H	98.8	Very high	98.6	Very high	85 Å²	85	36.7 Å²	36.7	39%	0.394	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	146.7	175.9	174.1	73.7	0	0	0	110.5	S83 T84 D85	S83-H125 PolarHBondContact OG-CE1 3.42Å; S83-H125 PolarHBondContact OG-ND1 3.13Å; T84-H125 WeakPolarHBondContact O-CA 3.44Å; T84-H125 PolarHBondContact O-ND1 3.19Å; D85-H125 IonicContact OD1-CE1 3.72Å; D85-H125 IonicContact OD1-ND1 3.74Å; D85-H125 PolarHBondContact OD1-ND1 2.74Å
126	S	98.4	Very high	98.5	Very high	37 Å²	37	38.2 Å²	38.2	26%	0.259	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	145.6	167.7	-178.2	0	0	0	0	110.1	T84	T84-S126 PolarHBondContact N-O 2.84Å; T84-S126 PolarHBondContact O-N 3.21Å
127	V	98.1	Very high	98.5	Very high	116 Å²	116	40.7 Å²	40.7	70%	0.703	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.7	144.5	165	-177.9	0	0	0	0	109.1
128	G	97.9	Very high	98.5	Very high	13 Å²	13	42.8 Å²	42.8	13%	0.134	24%	0.241	C	C	.	.	S	Bend	trans	82	177.6	-175.9	0	0	0	0	0	113.6	Q82 S83 T84	Q82-G128 PolarHBondContact O-N 3.29Å; S83-G128 CarbonylContact C-O 3.3Å; S83-G128 VanDerWaalsContact C-O 3.3Å; T84-G128 PolarHBondContact N-O 3.13Å; T84-G128 PolarHBondContact OG1-O 3.46Å
129	Y	98.2	Very high	98.5	Very high	88 Å²	88	43 Å²	43	35%	0.345	24%	0.242	S	C	.	.	S	Bend	trans	-98.3	110.2	174.4	-56.3	-45.5	0	0	0	109.8	Q82 T84 H112 V216	Q82-Y129 VanDerWaalsContact N-CZ 3.3Å; Q82-Y129 PolarHBondContact N-OH 2.81Å; T84-Y129 WeakPolarHBondContact OG1-CA 3.34Å; H112-Y129 PolarHBondContact CE1-O 2.87Å; H112-Y129 VanDerWaalsContact CE1-O 3.25Å; Y129-V216 HydrophobicContact CD1-CB 3.73Å; Y129-V216 HydrophobicContact CD1-CG1 3.92Å; Y129-V216 HydrophobicContact CE1-CB 4.35Å; Y129-V216 HydrophobicContact CG-CB 4.41Å; Y129-V216 HydrophobicContact CG-CG1 4.45Å
130	T	97.6	Very high	98.5	Very high	45 Å²	45	42.9 Å²	42.9	28%	0.276	24%	0.24	S	C	.	.			trans	-139	158.3	-170.9	65.3	0	0	0	0	111.6	T84 H112 L132	T84-T130 WeakPolarHBondContact CG2-O 3.47Å; T84-T130 PolarHBondContact OG1-N 3.04Å; T84-T130 PolarHBondContact OG1-OG1 2.93Å; H112-T130 WeakPolarHBondContact CB-O 3.43Å; H112-T130 VanDerWaalsContact CD2-C 3.46Å; T130-L132 PolarHBondContact O-N 3.24Å
131	A	97.6	Very high	98.5	Very high	19 Å²	19	40 Å²	40	16%	0.157	22%	0.216	C	C	.	.			trans	-77.3	75.9	162.1	0	0	0	0	0	109.5	H112 V114 S135 Y150	H112-A131 PolarHBondContact CD2-N 3.06Å; H112-A131 VanDerWaalsContact CD2-N 3.28Å; V114-A131 HydrophobicContact CG2-CB 3.88Å; A131-S135 WeakPolarHBondContact O-CB 3.29Å; A131-Y150 HydrophobicContact CB-CD2 4.23Å; A131-Y150 HydrophobicContact CB-CE2 4.35Å
132	L	98.8	Very high	98.5	Very high	9 Å²	9	31.4 Å²	31.4	5%	0.047	18%	0.184	C	C	.	.			trans	-62.6	-50.4	-173.6	173.3	61.7	0	0	0	112.5	T84 P123 T130 G134 S135	T84-L132 HydrophobicContact CG2-CB 3.51Å; T84-L132 HydrophobicContact CG2-CD2 4.15Å; T84-L132 HydrophobicContact CG2-CG 4.49Å; P123-L132 HydrophobicContact CG-CD1 4.07Å; T130-L132 PolarHBondContact O-N 3.24Å; L132-G134 PolarHBondContact O-N 3.45Å; L132-S135 VanDerWaalsContact O-CB 3.23Å; L132-S135 WeakPolarHBondContact O-CB 3.44Å; L132-S135 PolarHBondContact O-N 3.1Å; L132-S135 VanDerWaalsContact O-N 3.09Å; L132-S135 PolarHBondContact O-OG 3.33Å
133	V	98.9	Very high	98.5	Very high	7 Å²	7	31.1 Å²	31.1	4%	0.042	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	126.2	171.7	176.3	0	0	0	0	108.5	V114 V212 S214	V114-V133 HydrophobicContact CB-CB 4.17Å; V114-V133 HydrophobicContact CG1-CB 3.83Å; V114-V133 HydrophobicContact CG1-CG1 4.15Å; V114-V133 WeakPolarHBondContact CG1-O 3.24Å; V133-V212 HydrophobicContact CB-CG1 4.47Å; V133-V212 HydrophobicContact CG1-CG1 3.7Å; V133-V212 HydrophobicContact CG2-CB 4.49Å; V133-V212 HydrophobicContact CG2-CG1 3.8Å; V133-V212 HydrophobicContact CG2-CG2 3.94Å; V133-S214 PolarHBondContact N-OG 3.21Å
134	G	98.7	Very high	98.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	89	-2.6	-174.4	0	0	0	0	0	114.5	L132 D136 S139 Y150 H151 D152 G153	L132-G134 PolarHBondContact O-N 3.45Å; G134-D136 VanDerWaalsContact C-N 3.29Å; G134-D136 PolarHBondContact O-N 3.47Å; G134-S139 PolarHBondContact N-OG 2.94Å; G134-Y150 VanDerWaalsContact CA-O 3.25Å; G134-Y150 WeakPolarHBondContact CA-O 3.33Å; G134-Y150 CarbonylContact O-C 3.58Å; G134-H151 CarbonylContact O-C 3.45Å; G134-H151 VanDerWaalsContact O-CA 3.27Å; G134-H151 WeakPolarHBondContact O-CA 3.38Å; G134-H151 PolarHBondContact O-N 2.91Å; G134-D152 PolarHBondContact O-N 2.88Å; G134-D152 VanDerWaalsContact O-N 3.1Å; G134-G153 PolarHBondContact O-N 2.93Å
135	S	98.5	Very high	98.1	Very high	16 Å²	16	29.8 Å²	29.8	11%	0.112	18%	0.183	C	C	.	.	S	Bend	trans	-70.2	-24.2	-179.4	66	0	0	0	0	114	A131 L132 G153 K154	A131-S135 WeakPolarHBondContact O-CB 3.29Å; L132-S135 VanDerWaalsContact O-CB 3.23Å; L132-S135 WeakPolarHBondContact O-CB 3.44Å; L132-S135 PolarHBondContact O-N 3.1Å; L132-S135 VanDerWaalsContact O-N 3.09Å; L132-S135 PolarHBondContact O-OG 3.33Å; S135-G153 PolarHBondContact O-N 2.96Å; S135-K154 VanDerWaalsContact O-CG 3.32Å; S135-K154 WeakPolarHBondContact O-CG 3.28Å; S135-K154 PolarHBondContact O-N 3.42Å
136	D	98.4	Very high	97.8	Very high	33 Å²	33	27.4 Å²	27.4	18%	0.176	17%	0.17	C	C	.	.	S	Bend	trans	-132.4	-175.3	179.2	65.3	22.6	0	0	0	111.7	P123 G134 E138 S139 D152	P123-D136 VanDerWaalsContact CD-OD2 3.27Å; P123-D136 WeakPolarHBondContact CD-OD2 3.19Å; G134-D136 VanDerWaalsContact C-N 3.29Å; G134-D136 PolarHBondContact O-N 3.47Å; D136-E138 PolarHBondContact O-N 3.32Å; D136-E138 WeakPolarHBondContact OD1-CB 3.4Å; D136-E138 PolarHBondContact OD1-N 3.46Å; D136-S139 PolarHBondContact OD1-OG 2.91Å; D136-D152 WeakPolarHBondContact O-CA 3.42Å; D136-D152 PolarHBondContact O-N 3.05Å
137	A	98.4	Very high	97.7	Very high	53 Å²	53	25.7 Å²	25.7	44%	0.438	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-7.2	-178.7	0	0	0	0	0	114.3	H151	A137-H151 PolarHBondContact O-CE1 2.82Å
138	E	98.8	Very high	97.6	Very high	44 Å²	44	23 Å²	23	21%	0.206	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-2.9	-174.3	-63.1	-62.7	164.9	0	0	112.8	A118 T119 R121 A122 D136	A118-E138 CarbonylContact C-O 3.49Å; A118-E138 WeakPolarHBondContact CA-O 3.31Å; T119-E138 WeakPolarHBondContact CB-OE2 3.37Å; T119-E138 WeakPolarHBondContact CG2-OE2 3.49Å; T119-E138 PolarHBondContact N-O 2.92Å; T119-E138 PolarHBondContact OG1-OE2 3.16Å; R121-E138 HydrophobicContact CB-CG 4.12Å; R121-E138 IonicContact CZ-OE1 3.08Å; R121-E138 IonicContact CZ-OE2 3.44Å; R121-E138 VanDerWaalsContact CZ-OE2 3.31Å; R121-E138 VanDerWaalsContact NE-CD 3.3Å; R121-E138 IonicContact NE-OE1 3.75Å; R121-E138 PolarHBondContact NE-OE1 2.72Å; R121-E138 IonicContact NE-OE2 2.71Å; R121-E138 PolarHBondContact NE-OE2 3.3Å; R121-E138 VanDerWaalsContact NH2-CD 3.3Å; R121-E138 IonicContact NH2-OE1 3.63Å; R121-E138 PolarHBondContact NH2-OE1 2.92Å; R121-E138 IonicContact NH2-OE2 2.79Å; R121-E138 PolarHBondContact NH2-OE2 3.33Å; A122-E138 HydrophobicContact CB-CB 3.83Å; D136-E138 PolarHBondContact O-N 3.32Å; D136-E138 WeakPolarHBondContact OD1-CB 3.4Å; D136-E138 PolarHBondContact OD1-N 3.46Å
139	S	98.9	Very high	97.6	Very high	3 Å²	3	23 Å²	23	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	156.8	-178.5	54.7	0	0	0	0	113.5	V117 G134 D136 H151	V117-S139 WeakPolarHBondContact O-CA 3.24Å; G134-S139 PolarHBondContact N-OG 2.94Å; D136-S139 PolarHBondContact OD1-OG 2.91Å; S139-H151 PolarHBondContact O-ND1 2.92Å
140	W	98.9	Very high	97.7	Very high	8 Å²	8	20.3 Å²	20.3	3%	0.03	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	119.4	179.1	-62.1	-96.3	0	0	0	107.9	G116 V117 T119 H151 F201 L204 K207 L209	G116-W140 VanDerWaalsContact CA-O 3.3Å; G116-W140 WeakPolarHBondContact CA-O 3.43Å; V117-W140 HydrophobicContact CG2-CB 4.24Å; V117-W140 HydrophobicContact CG2-CE3 4.05Å; V117-W140 PolarHBondContact N-O 2.89Å; V117-W140 PolarHBondContact O-N 2.65Å; T119-W140 HydrophobicContact CG2-CH2 4.43Å; T119-W140 HydrophobicContact CG2-CZ3 4.21Å; W140-H151 AromaticContact CD1-CD2 4Å; W140-H151 AromaticContact CD1-CE1 3.98Å; W140-H151 AromaticContact CD1-CG 3.38Å; W140-H151 AromaticContact CD1-ND1 3.4Å; W140-H151 AromaticContact CD2-ND1 3.89Å; W140-H151 AromaticContact CE2-CE1 3.33Å; W140-H151 AromaticContact CE2-ND1 3.4Å; W140-H151 AromaticContact CE2-NE2 3.97Å; W140-H151 HydrophobicContact CG-CB 4.33Å; W140-H151 AromaticContact CG-ND1 3.88Å; W140-H151 AromaticContact CZ2-CE1 3.42Å; W140-H151 VanDerWaalsContact CZ2-CE1 3.42Å; W140-H151 WeakPolarHBondContact CZ2-CE1 3.42Å; W140-H151 AromaticContact CZ2-ND1 3.94Å; W140-H151 AromaticContact NE1-CD2 3.55Å; W140-H151 AromaticContact NE1-CE1 3.19Å; W140-H151 PolarHBondContact NE1-CE1 2.91Å; W140-H151 AromaticContact NE1-CG 3.3Å; W140-H151 VanDerWaalsContact NE1-CG 3.3Å; W140-H151 AromaticContact NE1-ND1 3.1Å; W140-H151 PolarHBondContact NE1-ND1 3.44Å; W140-H151 AromaticContact NE1-NE2 3.46Å; W140-H151 PolarHBondContact NE1-NE2 2.99Å; W140-F201 HydrophobicContact CB-CD1 4.19Å; W140-F201 HydrophobicContact CB-CD2 3.92Å; W140-F201 HydrophobicContact CB-CE1 4.22Å; W140-F201 HydrophobicContact CB-CE2 3.95Å; W140-F201 HydrophobicContact CB-CG 3.99Å; W140-F201 HydrophobicContact CB-CZ 4.08Å; W140-F201 AromaticContact CD1-CD1 3.53Å; W140-F201 AromaticContact CD1-CG 3.77Å; W140-F201 HydrophobicContact CG-CD1 4.25Å; W140-F201 HydrophobicContact CG-CG 4.22Å; W140-L204 HydrophobicContact CD2-CD2 3.52Å; W140-L204 HydrophobicContact CE3-CD2 4.04Å; W140-L204 HydrophobicContact CG-CD2 3.94Å; W140-L204 HydrophobicContact CH2-CD2 4.32Å; W140-L204 HydrophobicContact CZ2-CD2 3.79Å; W140-L204 HydrophobicContact CZ3-CD2 4.42Å; W140-K207 HydrophobicContact CH2-CD 3.58Å; W140-K207 HydrophobicContact CZ2-CD 4.09Å; W140-K207 HydrophobicContact CZ3-CD 4.32Å; W140-L209 HydrophobicContact CE3-CD2 4.18Å; W140-L209 HydrophobicContact CH2-CD2 4.29Å; W140-L209 HydrophobicContact CZ3-CD2 3.52Å
141	G	98.8	Very high	97.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	144.7	-169.5	0	0	0	0	0	114.1	V115 L149 Y150 F201	V115-G141 CarbonylContact O-C 3.53Å; V115-G141 WeakPolarHBondContact O-CA 2.93Å; G141-L149 CarbonylContact O-C 3.55Å; G141-L149 WeakPolarHBondContact O-CA 3.48Å; G141-Y150 PolarHBondContact N-O 3.42Å; G141-Y150 PolarHBondContact O-N 3.1Å; G141-F201 WeakPolarHBondContact O-CZ 3.27Å
142	W	98.8	Very high	97.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	113.3	168.2	-176.7	26.8	0	0	0	109.7	V114 V115 L144 L149 Y161 L173 L177 F190 V192 L197	V114-W142 WeakPolarHBondContact CA-O 3.46Å; V115-W142 PolarHBondContact N-O 3.26Å; V115-W142 PolarHBondContact O-N 3.02Å; W142-L144 HydrophobicContact CD2-CD2 4.01Å; W142-L144 HydrophobicContact CE3-CD2 3.87Å; W142-L144 HydrophobicContact CG-CD2 4.4Å; W142-L144 HydrophobicContact CZ3-CD2 4.41Å; W142-L144 PolarHBondContact O-N 2.98Å; W142-L149 HydrophobicContact CB-CD2 3.69Å; W142-L149 HydrophobicContact CG-CD2 3.81Å; W142-Y161 AromaticContact CD2-CD1 3.93Å; W142-Y161 HydrophobicContact CD2-CD1 3.93Å; W142-Y161 HydrophobicContact CD2-CE1 4.16Å; W142-Y161 AromaticContact CE2-CD1 3.5Å; W142-Y161 VanDerWaalsContact CE2-CD1 3.5Å; W142-Y161 HydrophobicContact CE3-CD1 4.46Å; W142-Y161 HydrophobicContact CE3-CE1 4.24Å; W142-Y161 HydrophobicContact CG-CD1 4.34Å; W142-Y161 HydrophobicContact CH2-CD1 4.18Å; W142-Y161 AromaticContact CH2-CE1 3.99Å; W142-Y161 HydrophobicContact CH2-CE1 3.99Å; W142-Y161 AromaticContact CZ2-CD1 3.64Å; W142-Y161 HydrophobicContact CZ2-CD1 3.64Å; W142-Y161 AromaticContact CZ2-CE1 3.94Å; W142-Y161 HydrophobicContact CZ2-CE1 3.94Å; W142-Y161 HydrophobicContact CZ3-CE1 4.16Å; W142-Y161 AromaticContact NE1-CD1 3.67Å; W142-Y161 PolarHBondContact NE1-O 3.34Å; W142-L173 HydrophobicContact CH2-CD1 3.85Å; W142-L173 HydrophobicContact CH2-CD2 3.37Å; W142-L173 HydrophobicContact CH2-CG 4.21Å; W142-L173 HydrophobicContact CZ2-CD1 3.71Å; W142-L173 HydrophobicContact CZ2-CD2 3.89Å; W142-L173 HydrophobicContact CZ2-CG 4.3Å; W142-L173 HydrophobicContact CZ3-CD1 4.38Å; W142-L173 HydrophobicContact CZ3-CD2 4.1Å; W142-L177 HydrophobicContact CE3-CD1 3.9Å; W142-L177 HydrophobicContact CZ3-CD1 3.74Å; W142-F190 HydrophobicContact CB-CE1 4.44Å; W142-F190 HydrophobicContact CB-CE2 3.82Å; W142-F190 HydrophobicContact CB-CZ 3.71Å; W142-F190 HydrophobicContact CD2-CD2 4.36Å; W142-F190 HydrophobicContact CD2-CE2 4.39Å; W142-F190 HydrophobicContact CE3-CB 4.11Å; W142-F190 AromaticContact CE3-CD1 3.71Å; W142-F190 HydrophobicContact CE3-CD1 3.71Å; W142-F190 AromaticContact CE3-CD2 3.74Å; W142-F190 HydrophobicContact CE3-CD2 3.74Å; W142-F190 AromaticContact CE3-CE1 3.97Å; W142-F190 HydrophobicContact CE3-CE1 3.97Å; W142-F190 HydrophobicContact CE3-CE2 4.03Å; W142-F190 AromaticContact CE3-CG 3.57Å; W142-F190 HydrophobicContact CE3-CG 3.57Å; W142-F190 HydrophobicContact CE3-CZ 4.12Å; W142-F190 HydrophobicContact CG-CE2 4.37Å; W142-F190 HydrophobicContact CZ3-CB 3.75Å; W142-F190 HydrophobicContact CZ3-CD1 4.06Å; W142-F190 HydrophobicContact CZ3-CD2 4.24Å; W142-F190 AromaticContact CZ3-CG 3.76Å; W142-F190 HydrophobicContact CZ3-CG 3.76Å; W142-V192 HydrophobicContact CH2-CG2 4Å; W142-V192 HydrophobicContact CZ3-CG2 4.12Å; W142-L197 HydrophobicContact CH2-CD1 3.52Å; W142-L197 HydrophobicContact CZ2-CD1 4.3Å; W142-L197 HydrophobicContact CZ3-CD1 4.16Å
143	D	98.3	Very high	97.6	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	110.1	170.4	-176.7	-26.4	0	0	0	108.7	H112 A113 V114 G145 R146 S147 R148 Y150	H112-D143 IonicContact CD2-OD2 3.57Å; A113-D143 WeakPolarHBondContact O-CA 3.45Å; V114-D143 HydrophobicContact CG2-CB 4.14Å; D143-G145 VanDerWaalsContact C-N 3.32Å; D143-G145 PolarHBondContact O-N 3.37Å; D143-G145 PolarHBondContact OD1-N 2.79Å; D143-R146 HydrophobicContact CB-CB 4.33Å; D143-R146 PolarHBondContact O-N 2.84Å; D143-R146 PolarHBondContact OD1-N 2.77Å; D143-R146 WeakPolarHBondContact OD2-CD 3.44Å; D143-R146 IonicContact OD2-CZ 3.85Å; D143-R146 IonicContact OD2-NH1 3.02Å; D143-R146 PolarHBondContact OD2-NH1 3.44Å; D143-S147 WeakPolarHBondContact O-CA 3.44Å; D143-S147 PolarHBondContact O-N 3.43Å; D143-R148 PolarHBondContact N-O 3.04Å; D143-R148 PolarHBondContact O-N 2.79Å; D143-Y150 HydrophobicContact CB-CD2 4.01Å; D143-Y150 HydrophobicContact CB-CE2 3.63Å
144	L	96.9	Very high	97.4	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.016	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-34.4	-174.7	-52.4	-176.5	0	0	0	111.7	W104 A113 V115 W142 L173 L177	W104-L144 HydrophobicContact CE3-CD1 4.32Å; A113-L144 HydrophobicContact CB-CD1 4.49Å; A113-L144 WeakPolarHBondContact O-CG 3.47Å; A113-L144 PolarHBondContact O-N 3.44Å; V115-L144 HydrophobicContact CB-CD2 4.4Å; V115-L144 HydrophobicContact CG2-CD1 3.87Å; V115-L144 HydrophobicContact CG2-CD2 4.12Å; V115-L144 HydrophobicContact CG2-CG 4.18Å; W142-L144 HydrophobicContact CD2-CD2 4.01Å; W142-L144 HydrophobicContact CE3-CD2 3.87Å; W142-L144 HydrophobicContact CG-CD2 4.4Å; W142-L144 HydrophobicContact CZ3-CD2 4.41Å; W142-L144 PolarHBondContact O-N 2.98Å; L144-L173 HydrophobicContact CB-CD1 3.64Å; L144-L173 HydrophobicContact CD2-CD1 3.76Å; L144-L173 HydrophobicContact CG-CD1 4.22Å; L144-L173 WeakPolarHBondContact O-CD1 3.44Å; L144-L177 HydrophobicContact CD1-CD2 4.4Å; L144-L177 HydrophobicContact CD2-CD1 4.11Å
145	G	92.7	Very high	97.2	Very high	47 Å²	47	35 Å²	35	49%	0.485	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-36.2	-178.1	0	0	0	0	0	112.3	D143	D143-G145 VanDerWaalsContact C-N 3.32Å; D143-G145 PolarHBondContact O-N 3.37Å; D143-G145 PolarHBondContact OD1-N 2.79Å
146	R	93.1	Very high	97.1	Very high	35 Å²	35	41 Å²	41	13%	0.132	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-11.1	-179.8	-64.7	-174.6	174.4	73.8	-6.6	114.1	E16 L19 T111 H112 D143 R148	E16-R146 IonicContact OE2-CZ 3.71Å; E16-R146 IonicContact OE2-NE 3.46Å; E16-R146 PolarHBondContact OE2-NE 2.77Å; E16-R146 IonicContact OE2-NH2 3.05Å; E16-R146 PolarHBondContact OE2-NH2 2.71Å; L19-R146 HydrophobicContact CD1-CB 4.16Å; L19-R146 HydrophobicContact CD1-CG 3.78Å; T111-R146 PolarHBondContact O-NH1 2.89Å; H112-R146 PolarHBondContact CD2-NH1 3.26Å; H112-R146 PolarHBondContact NE2-NH1 2.9Å; H112-R146 VanDerWaalsContact NE2-NH1 3.13Å; H112-R146 PolarHBondContact NE2-NH2 3.03Å; D143-R146 HydrophobicContact CB-CB 4.33Å; D143-R146 PolarHBondContact O-N 2.84Å; D143-R146 PolarHBondContact OD1-N 2.77Å; D143-R146 WeakPolarHBondContact OD2-CD 3.44Å; D143-R146 IonicContact OD2-CZ 3.85Å; D143-R146 IonicContact OD2-NH1 3.02Å; D143-R146 PolarHBondContact OD2-NH1 3.44Å; R146-R148 HydrophobicContact CB-CB 4.24Å; R146-R148 HydrophobicContact CB-CG 4.37Å; R146-R148 PolarHBondContact O-N 2.87Å
147	S	95.7	Very high	97	Very high	1 Å²	1	45 Å²	45	1%	0.007	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	44.8	-170.6	-60.7	0	0	0	0	111.7	D143 Y161 F171	D143-S147 WeakPolarHBondContact O-CA 3.44Å; D143-S147 PolarHBondContact O-N 3.43Å; S147-Y161 CarbonylContact C-O 3.42Å; S147-Y161 WeakPolarHBondContact CB-O 3.1Å; S147-Y161 PolarHBondContact O-N 3.47Å; S147-F171 PolarHBondContact OG-N 3.23Å; S147-F171 PolarHBondContact OG-O 3.33Å
148	R	96.3	Very high	96.8	Very high	60 Å²	60	43 Å²	43	23%	0.226	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.5	-177.5	-77.3	-173.7	179.2	-112.5	4.4	112.7	D143 R146 Y150 G158 V159 P167	D143-R148 PolarHBondContact N-O 3.04Å; D143-R148 PolarHBondContact O-N 2.79Å; R146-R148 HydrophobicContact CB-CB 4.24Å; R146-R148 HydrophobicContact CB-CG 4.37Å; R146-R148 PolarHBondContact O-N 2.87Å; R148-Y150 HydrophobicContact CB-CE2 3.77Å; R148-G158 PolarHBondContact NH1-O 2.93Å; R148-V159 CarbonylContact C-O 3.54Å; R148-V159 VanDerWaalsContact CA-O 3.27Å; R148-V159 WeakPolarHBondContact CA-O 3.44Å; R148-P167 PolarHBondContact NH2-O 2.79Å
149	L	98.3	Very high	96.6	Very high	11 Å²	11	45.3 Å²	45.3	6%	0.058	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	133.4	174.8	-59.1	178.2	0	0	0	110	G141 W142 G158 V159 Y161 F190 A200 F201	G141-L149 CarbonylContact O-C 3.55Å; G141-L149 WeakPolarHBondContact O-CA 3.48Å; W142-L149 HydrophobicContact CB-CD2 3.69Å; W142-L149 HydrophobicContact CG-CD2 3.81Å; L149-G158 CarbonylContact O-C 3.59Å; L149-G158 WeakPolarHBondContact O-CA 3.39Å; L149-V159 HydrophobicContact CB-CB 4.39Å; L149-V159 PolarHBondContact N-O 3.44Å; L149-V159 PolarHBondContact O-N 2.94Å; L149-Y161 HydrophobicContact CD1-CD2 3.69Å; L149-Y161 HydrophobicContact CD1-CG 3.81Å; L149-Y161 HydrophobicContact CD2-CD1 4.1Å; L149-Y161 HydrophobicContact CD2-CD2 4.41Å; L149-Y161 HydrophobicContact CD2-CG 3.88Å; L149-Y161 VanDerWaalsContact CG-CB 3.44Å; L149-Y161 HydrophobicContact CG-CD2 4.29Å; L149-Y161 HydrophobicContact CG-CG 3.89Å; L149-F190 HydrophobicContact CD2-CE2 4.42Å; L149-A200 HydrophobicContact CD1-CB 3.61Å; L149-A200 WeakPolarHBondContact CD1-O 3.23Å; L149-A200 HydrophobicContact CD2-CB 3.77Å; L149-A200 HydrophobicContact CG-CB 4.34Å; L149-F201 HydrophobicContact CB-CE1 3.95Å; L149-F201 HydrophobicContact CB-CE2 4.29Å; L149-F201 HydrophobicContact CB-CZ 3.59Å; L149-F201 HydrophobicContact CD2-CE2 3.83Å; L149-F201 HydrophobicContact CD2-CZ 3.99Å; L149-F201 HydrophobicContact CG-CE2 4.44Å; L149-F201 HydrophobicContact CG-CZ 4.22Å
150	Y	98.6	Very high	96.4	Very high	33 Å²	33	46.6 Å²	46.6	13%	0.129	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	133.9	177	-63.9	-78.5	0	0	0	110.6	A131 G134 G141 D143 R148 G158 F201	A131-Y150 HydrophobicContact CB-CD2 4.23Å; A131-Y150 HydrophobicContact CB-CE2 4.35Å; G134-Y150 VanDerWaalsContact CA-O 3.25Å; G134-Y150 WeakPolarHBondContact CA-O 3.33Å; G134-Y150 CarbonylContact O-C 3.58Å; G141-Y150 PolarHBondContact N-O 3.42Å; G141-Y150 PolarHBondContact O-N 3.1Å; D143-Y150 HydrophobicContact CB-CD2 4.01Å; D143-Y150 HydrophobicContact CB-CE2 3.63Å; R148-Y150 HydrophobicContact CB-CE2 3.77Å; Y150-G158 VanDerWaalsContact CE1-CA 3.43Å; Y150-F201 WeakPolarHBondContact O-CZ 3.41Å
151	H	98.7	Very high	96.2	Very high	47 Å²	47	46.5 Å²	46.5	22%	0.218	25%	0.252	C	S	.	.	S	Bend	trans	-154.4	128.5	166.8	169.3	61.1	0	0	0	106.7	G134 A137 S139 W140 G153 F201	G134-H151 CarbonylContact O-C 3.45Å; G134-H151 VanDerWaalsContact O-CA 3.27Å; G134-H151 WeakPolarHBondContact O-CA 3.38Å; G134-H151 PolarHBondContact O-N 2.91Å; A137-H151 PolarHBondContact O-CE1 2.82Å; S139-H151 PolarHBondContact O-ND1 2.92Å; W140-H151 AromaticContact CD1-CD2 4Å; W140-H151 AromaticContact CD1-CE1 3.98Å; W140-H151 AromaticContact CD1-CG 3.38Å; W140-H151 AromaticContact CD1-ND1 3.4Å; W140-H151 AromaticContact CD2-ND1 3.89Å; W140-H151 AromaticContact CE2-CE1 3.33Å; W140-H151 AromaticContact CE2-ND1 3.4Å; W140-H151 AromaticContact CE2-NE2 3.97Å; W140-H151 HydrophobicContact CG-CB 4.33Å; W140-H151 AromaticContact CG-ND1 3.88Å; W140-H151 AromaticContact CZ2-CE1 3.42Å; W140-H151 VanDerWaalsContact CZ2-CE1 3.42Å; W140-H151 WeakPolarHBondContact CZ2-CE1 3.42Å; W140-H151 AromaticContact CZ2-ND1 3.94Å; W140-H151 AromaticContact NE1-CD2 3.55Å; W140-H151 AromaticContact NE1-CE1 3.19Å; W140-H151 PolarHBondContact NE1-CE1 2.91Å; W140-H151 AromaticContact NE1-CG 3.3Å; W140-H151 VanDerWaalsContact NE1-CG 3.3Å; W140-H151 AromaticContact NE1-ND1 3.1Å; W140-H151 PolarHBondContact NE1-ND1 3.44Å; W140-H151 AromaticContact NE1-NE2 3.46Å; W140-H151 PolarHBondContact NE1-NE2 2.99Å; H151-G153 PolarHBondContact O-N 3.28Å; H151-F201 HydrophobicContact CB-CD1 4.23Å; H151-F201 HydrophobicContact CB-CE1 3.81Å
152	D	98	Very high	95.9	Very high	26 Å²	26	46.6 Å²	46.6	14%	0.139	25%	0.252	C	S	.	.	S	Bend	trans	54.5	38.5	-170.4	-171.2	35.4	0	0	0	111.8	G134 D136 K154 N155 R156	G134-D152 PolarHBondContact O-N 2.88Å; G134-D152 VanDerWaalsContact O-N 3.1Å; D136-D152 WeakPolarHBondContact O-CA 3.42Å; D136-D152 PolarHBondContact O-N 3.05Å; D152-K154 PolarHBondContact O-N 3.05Å; D152-K154 VanDerWaalsContact O-N 3.14Å; D152-N155 CarbonylContact O-C 3.24Å; D152-N155 PolarHBondContact O-N 2.96Å; D152-N155 PolarHBondContact OD1-ND2 2.71Å; D152-R156 HydrophobicContact CB-CG 4.35Å; D152-R156 PolarHBondContact O-N 2.63Å; D152-R156 IonicContact OD2-CZ 2.88Å; D152-R156 IonicContact OD2-NE 3.04Å; D152-R156 PolarHBondContact OD2-NE 2.83Å; D152-R156 IonicContact OD2-NH2 3.86Å
153	G	96.8	Very high	95.4	Very high	26 Å²	26	51 Å²	51	27%	0.268	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.9	-170	0	0	0	0	0	115.3	G134 S135 H151 N155 R156	G134-G153 PolarHBondContact O-N 2.93Å; S135-G153 PolarHBondContact O-N 2.96Å; H151-G153 PolarHBondContact O-N 3.28Å; G153-N155 PolarHBondContact O-N 2.9Å; G153-R156 CarbonylContact C-O 3.6Å; G153-R156 WeakPolarHBondContact CA-O 3.38Å; G153-R156 VanDerWaalsContact O-O 3.09Å
154	K	92.9	Very high	94.7	Very high	160 Å²	160	54.1 Å²	54.1	70%	0.696	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-27.2	169.9	-73.9	171.8	-175.6	172.5	0	112.7	S135 D152	S135-K154 VanDerWaalsContact O-CG 3.32Å; S135-K154 WeakPolarHBondContact O-CG 3.28Å; S135-K154 PolarHBondContact O-N 3.42Å; D152-K154 PolarHBondContact O-N 3.05Å; D152-K154 VanDerWaalsContact O-N 3.14Å
155	N	96.3	Very high	94	Very high	129 Å²	129	54.8 Å²	54.8	69%	0.69	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-14.2	-177.1	-59.4	-53.1	0	0	0	112.8	D152 G153	D152-N155 CarbonylContact O-C 3.24Å; D152-N155 PolarHBondContact O-N 2.96Å; D152-N155 PolarHBondContact OD1-ND2 2.71Å; G153-N155 PolarHBondContact O-N 2.9Å
156	R	95.3	Very high	93.3	Very high	142 Å²	142	53.6 Å²	53.6	54%	0.536	29%	0.294	S	S	.	.	S	Bend	trans	-132	137.5	-172.9	-57	-177.5	-169.9	-161.3	-6.7	111.4	D152 G153	D152-R156 HydrophobicContact CB-CG 4.35Å; D152-R156 PolarHBondContact O-N 2.63Å; D152-R156 IonicContact OD2-CZ 2.88Å; D152-R156 IonicContact OD2-NE 3.04Å; D152-R156 PolarHBondContact OD2-NE 2.83Å; D152-R156 IonicContact OD2-NH2 3.86Å; G153-R156 CarbonylContact C-O 3.6Å; G153-R156 WeakPolarHBondContact CA-O 3.38Å; G153-R156 VanDerWaalsContact O-O 3.09Å
157	P	95.5	Very high	92.3	Very high	118 Å²	118	56.6 Å²	56.6	77%	0.766	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-67.5	150.3	174.4	30.2	-34.8	0	0	0	110.8
158	G	94.8	Very high	91.3	Very high	9 Å²	9	61.5 Å²	61.5	9%	0.093	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-67.2	144.3	174.3	0	0	0	0	0	112.2	R148 L149 Y150	R148-G158 PolarHBondContact NH1-O 2.93Å; L149-G158 CarbonylContact O-C 3.59Å; L149-G158 WeakPolarHBondContact O-CA 3.39Å; Y150-G158 VanDerWaalsContact CE1-CA 3.43Å
159	V	95.6	Very high	90.4	Very high	94 Å²	94	61.8 Å²	61.8	57%	0.57	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.4	-179.2	-178.4	0	0	0	0	109.9	R148 L149 Y161	R148-V159 CarbonylContact C-O 3.54Å; R148-V159 VanDerWaalsContact CA-O 3.27Å; R148-V159 WeakPolarHBondContact CA-O 3.44Å; L149-V159 HydrophobicContact CB-CB 4.39Å; L149-V159 PolarHBondContact N-O 3.44Å; L149-V159 PolarHBondContact O-N 2.94Å; V159-Y161 PolarHBondContact O-N 3.5Å
160	A	94.8	Very high	89.3	Confident	29 Å²	29	61.8 Å²	61.8	24%	0.24	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	135	177.4	0	0	0	0	0	111.3
161	Y	94.5	Very high	88.2	Confident	7 Å²	7	60.8 Å²	60.8	3%	0.027	35%	0.346	C	S	.	.	S	Bend	trans	-152.5	132	178.3	-178.6	-88.4	0	0	0	111.7	W142 S147 L149 V159 F190 L197 G198 A200	W142-Y161 AromaticContact CD2-CD1 3.93Å; W142-Y161 HydrophobicContact CD2-CD1 3.93Å; W142-Y161 HydrophobicContact CD2-CE1 4.16Å; W142-Y161 AromaticContact CE2-CD1 3.5Å; W142-Y161 VanDerWaalsContact CE2-CD1 3.5Å; W142-Y161 HydrophobicContact CE3-CD1 4.46Å; W142-Y161 HydrophobicContact CE3-CE1 4.24Å; W142-Y161 HydrophobicContact CG-CD1 4.34Å; W142-Y161 HydrophobicContact CH2-CD1 4.18Å; W142-Y161 AromaticContact CH2-CE1 3.99Å; W142-Y161 HydrophobicContact CH2-CE1 3.99Å; W142-Y161 AromaticContact CZ2-CD1 3.64Å; W142-Y161 HydrophobicContact CZ2-CD1 3.64Å; W142-Y161 AromaticContact CZ2-CE1 3.94Å; W142-Y161 HydrophobicContact CZ2-CE1 3.94Å; W142-Y161 HydrophobicContact CZ3-CE1 4.16Å; W142-Y161 AromaticContact NE1-CD1 3.67Å; W142-Y161 PolarHBondContact NE1-O 3.34Å; S147-Y161 CarbonylContact C-O 3.42Å; S147-Y161 WeakPolarHBondContact CB-O 3.1Å; S147-Y161 PolarHBondContact O-N 3.47Å; L149-Y161 HydrophobicContact CD1-CD2 3.69Å; L149-Y161 HydrophobicContact CD1-CG 3.81Å; L149-Y161 HydrophobicContact CD2-CD1 4.1Å; L149-Y161 HydrophobicContact CD2-CD2 4.41Å; L149-Y161 HydrophobicContact CD2-CG 3.88Å; L149-Y161 VanDerWaalsContact CG-CB 3.44Å; L149-Y161 HydrophobicContact CG-CD2 4.29Å; L149-Y161 HydrophobicContact CG-CG 3.89Å; V159-Y161 PolarHBondContact O-N 3.5Å; Y161-F190 HydrophobicContact CE1-CB 4.21Å; Y161-F190 AromaticContact CE1-CD2 3.7Å; Y161-F190 HydrophobicContact CE1-CD2 3.7Å; Y161-F190 HydrophobicContact CE1-CG 4.33Å; Y161-F190 AromaticContact CZ-CD2 3.87Å; Y161-F190 PolarHBondContact OH-N 3.28Å; Y161-L197 HydrophobicContact CE1-CB 3.86Å; Y161-L197 HydrophobicContact CE1-CD1 3.91Å; Y161-L197 HydrophobicContact CE2-CB 4.4Å; Y161-L197 WeakPolarHBondContact OH-CB 3.42Å; Y161-G198 PolarHBondContact OH-O 2.67Å; Y161-G198 VanDerWaalsContact OH-O 3.05Å; Y161-A200 HydrophobicContact CD2-CB 4.22Å; Y161-A200 HydrophobicContact CE2-CB 3.82Å
162	P	92.2	Very high	87.5	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.006	36%	0.362	C	S	.	.	S	Bend	cis	-68.5	156.4	5.9	25.2	-35.6	0	0	0	114.8	F164 L165 L197	P162-F164 HydrophobicContact CB-CD1 3.76Å; P162-F164 HydrophobicContact CB-CE1 3.44Å; P162-F164 VanDerWaalsContact CB-CE1 3.44Å; P162-F164 HydrophobicContact CB-CZ 3.96Å; P162-F164 HydrophobicContact CG-CD1 3.93Å; P162-F164 HydrophobicContact CG-CD2 4.47Å; P162-F164 HydrophobicContact CG-CE1 3.24Å; P162-F164 HydrophobicContact CG-CE2 3.86Å; P162-F164 HydrophobicContact CG-CG 4.5Å; P162-F164 HydrophobicContact CG-CZ 3.19Å; P162-F164 PolarHBondContact O-N 3.12Å; P162-L165 HydrophobicContact CG-CD1 4.23Å; P162-L165 HydrophobicContact CG-CG 4.19Å; P162-L165 WeakPolarHBondContact O-CB 3.43Å; P162-L165 WeakPolarHBondContact O-CG 3.44Å; P162-L165 PolarHBondContact O-N 3.18Å; P162-L197 HydrophobicContact CB-CB 4.26Å; P162-L197 HydrophobicContact CB-CD2 4.22Å; P162-L197 HydrophobicContact CG-CD2 4.35Å
163	A	88.1	Confident	87.2	Confident	93 Å²	93	61 Å²	61	77%	0.769	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-13.3	-170	0	0	0	0	0	115.2	L165	A163-L165 VanDerWaalsContact C-N 3.28Å
164	F	84.1	Confident	87.1	Confident	66 Å²	66	61.4 Å²	61.4	29%	0.289	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-10.1	174.9	64.4	-109.1	0	0	0	113.4	L26 P162	L26-F164 HydrophobicContact CD2-CE1 4.33Å; L26-F164 HydrophobicContact CD2-CZ 4.02Å; P162-F164 HydrophobicContact CB-CD1 3.76Å; P162-F164 HydrophobicContact CB-CE1 3.44Å; P162-F164 VanDerWaalsContact CB-CE1 3.44Å; P162-F164 HydrophobicContact CB-CZ 3.96Å; P162-F164 HydrophobicContact CG-CD1 3.93Å; P162-F164 HydrophobicContact CG-CD2 4.47Å; P162-F164 HydrophobicContact CG-CE1 3.24Å; P162-F164 HydrophobicContact CG-CE2 3.86Å; P162-F164 HydrophobicContact CG-CG 4.5Å; P162-F164 HydrophobicContact CG-CZ 3.19Å; P162-F164 PolarHBondContact O-N 3.12Å
165	L	81.8	Confident	87.3	Confident	16 Å²	16	57.3 Å²	57.3	8%	0.084	34%	0.341	C	S	.	.	S	Bend	trans	-74.6	141.3	177.5	-67.5	177.8	0	0	0	111.2	P162 A163 E169 F171	P162-L165 HydrophobicContact CG-CD1 4.23Å; P162-L165 HydrophobicContact CG-CG 4.19Å; P162-L165 WeakPolarHBondContact O-CB 3.43Å; P162-L165 WeakPolarHBondContact O-CG 3.44Å; P162-L165 PolarHBondContact O-N 3.18Å; A163-L165 VanDerWaalsContact C-N 3.28Å; L165-E169 HydrophobicContact CB-CB 4.27Å; L165-E169 HydrophobicContact CD2-CB 4.12Å; L165-F171 HydrophobicContact CD1-CB 3.91Å; L165-F171 HydrophobicContact CD2-CB 4.24Å
166	G	77.8	Confident	87.4	Confident	22 Å²	22	52.9 Å²	52.9	23%	0.227	32%	0.321	C	S	.	.			trans	-66.8	166.2	167.2	0	0	0	0	0	112.8	D168 E169	G166-D168 PolarHBondContact O-N 3.09Å; G166-D168 VanDerWaalsContact O-N 3.14Å; G166-E169 PolarHBondContact N-OE2 2.85Å; G166-E169 VanDerWaalsContact N-OE2 3.07Å; G166-E169 PolarHBondContact O-N 3.16Å; G166-E169 VanDerWaalsContact O-N 3.13Å
167	P	72.3	Confident	87.6	Confident	98 Å²	98	46.4 Å²	46.4	64%	0.636	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-32.2	-175.6	-25.7	34	0	0	0	115.3	R148	R148-P167 PolarHBondContact NH2-O 2.79Å
168	D	75.6	Confident	87.7	Confident	105 Å²	105	42.2 Å²	42.2	56%	0.561	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.7	14.6	-177.9	-59.8	-44.8	0	0	0	112.8	G166	G166-D168 PolarHBondContact O-N 3.09Å; G166-D168 VanDerWaalsContact O-N 3.14Å
169	E	76.2	Confident	87.9	Confident	65 Å²	65	41.8 Å²	41.8	30%	0.304	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	134.4	176.7	-65.5	-171.2	157	0	0	110.8	R24 L165 G166	R24-E169 IonicContact NH1-OE2 3.28Å; L165-E169 HydrophobicContact CB-CB 4.27Å; L165-E169 HydrophobicContact CD2-CB 4.12Å; G166-E169 PolarHBondContact N-OE2 2.85Å; G166-E169 VanDerWaalsContact N-OE2 3.07Å; G166-E169 PolarHBondContact O-N 3.16Å; G166-E169 VanDerWaalsContact O-N 3.13Å
170	A	74.8	Confident	88.1	Confident	12 Å²	12	37.5 Å²	37.5	10%	0.099	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	143.1	169.8	0	0	0	0	0	110	A22	A22-A170 VanDerWaalsContact O-O 3.11Å
171	F	76.8	Confident	88.3	Confident	12 Å²	12	36.1 Å²	36.1	5%	0.053	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	127.1	179.1	175.4	-109.6	0	0	0	110.5	R24 L26 S147 L165 L173 V192	R24-F171 WeakPolarHBondContact O-CD2 3.36Å; R24-F171 VanDerWaalsContact O-CE2 3.27Å; R24-F171 WeakPolarHBondContact O-CE2 3.22Å; L26-F171 HydrophobicContact CD1-CE1 4.34Å; L26-F171 HydrophobicContact CD1-CE2 4.44Å; L26-F171 HydrophobicContact CD1-CZ 3.69Å; L26-F171 HydrophobicContact CD2-CE1 4.17Å; L26-F171 HydrophobicContact CD2-CE2 4.07Å; L26-F171 HydrophobicContact CD2-CZ 3.78Å; L26-F171 HydrophobicContact CG-CE1 4.16Å; L26-F171 HydrophobicContact CG-CE2 3.64Å; L26-F171 HydrophobicContact CG-CZ 3.34Å; S147-F171 PolarHBondContact OG-N 3.23Å; S147-F171 PolarHBondContact OG-O 3.33Å; L165-F171 HydrophobicContact CD1-CB 3.91Å; L165-F171 HydrophobicContact CD2-CB 4.24Å; F171-L173 HydrophobicContact CD1-CD2 3.56Å; F171-L173 HydrophobicContact CD1-CG 3.7Å; F171-L173 HydrophobicContact CE1-CD2 3.52Å; F171-L173 HydrophobicContact CE1-CG 4Å; F171-L173 PolarHBondContact O-N 3.5Å; F171-V192 HydrophobicContact CE1-CG1 4.17Å
172	A	83.8	Confident	88.5	Confident	66 Å²	66	36.5 Å²	36.5	55%	0.545	23%	0.228	S	C	.	.			trans	-73.9	92.6	177.9	0	0	0	0	0	110.5
173	L	90.9	Very high	88.7	Confident	10 Å²	10	36.6 Å²	36.6	5%	0.052	23%	0.229	C	C	.	.			trans	-71.2	134.8	-178.4	-75.7	161.4	0	0	0	112.6	R109 W142 L144 F171 V192	R109-L173 PolarHBondContact NH1-O 3.19Å; W142-L173 HydrophobicContact CH2-CD1 3.85Å; W142-L173 HydrophobicContact CH2-CD2 3.37Å; W142-L173 HydrophobicContact CH2-CG 4.21Å; W142-L173 HydrophobicContact CZ2-CD1 3.71Å; W142-L173 HydrophobicContact CZ2-CD2 3.89Å; W142-L173 HydrophobicContact CZ2-CG 4.3Å; W142-L173 HydrophobicContact CZ3-CD1 4.38Å; W142-L173 HydrophobicContact CZ3-CD2 4.1Å; L144-L173 HydrophobicContact CB-CD1 3.64Å; L144-L173 HydrophobicContact CD2-CD1 3.76Å; L144-L173 HydrophobicContact CG-CD1 4.22Å; L144-L173 WeakPolarHBondContact O-CD1 3.44Å; F171-L173 HydrophobicContact CD1-CD2 3.56Å; F171-L173 HydrophobicContact CD1-CG 3.7Å; F171-L173 HydrophobicContact CE1-CD2 3.52Å; F171-L173 HydrophobicContact CE1-CG 4Å; F171-L173 PolarHBondContact O-N 3.5Å; L173-V192 HydrophobicContact CD2-CB 4.42Å; L173-V192 HydrophobicContact CD2-CG1 4Å; L173-V192 HydrophobicContact CD2-CG2 3.7Å
174	P	95.5	Very high	89.1	Confident	35 Å²	35	33.2 Å²	33.2	23%	0.227	20%	0.198	C	C	.	.			trans	-66.6	171.8	171.1	34	-38.7	0	0	0	110.9	R109 S176 V192	R109-P174 PolarHBondContact NH2-O 2.9Å; P174-S176 VanDerWaalsContact C-N 3.26Å; P174-S176 PolarHBondContact O-N 3.22Å; P174-V192 HydrophobicContact CG-CG1 3.45Å; P174-V192 VanDerWaalsContact CG-CG1 3.45Å
175	D	97.5	Very high	89.7	Confident	74 Å²	74	36.5 Å²	36.5	40%	0.396	21%	0.214	S	C	.	.	S	Bend	trans	-61.7	-32.4	-177	-71	-7	0	0	0	113.2	W104 A106	W104-D175 CarbonylContact C-O 3.58Å; W104-D175 PolarHBondContact N-O 2.72Å; A106-D175 WeakPolarHBondContact CB-OD1 3.25Å; A106-D175 PolarHBondContact N-OD1 2.93Å
176	S	98.1	Very high	90.4	Very high	37 Å²	37	35.7 Å²	35.7	26%	0.259	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	138.9	-176.6	-82.9	0	0	0	0	112.8	I102 N103 P174	I102-S176 VanDerWaalsContact O-CA 3.3Å; I102-S176 WeakPolarHBondContact O-CA 3.42Å; N103-S176 PolarHBondContact OD1-OG 3.09Å; P174-S176 VanDerWaalsContact C-N 3.26Å; P174-S176 PolarHBondContact O-N 3.22Å
177	L	98.5	Very high	91.4	Very high	5 Å²	5	35.2 Å²	35.2	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	154.1	169.4	65.9	156.1	0	0	0	110.5	Q101 I102 W142 L144 F190 V192	Q101-L177 WeakPolarHBondContact CA-O 3.5Å; I102-L177 HydrophobicContact CB-CD2 4.02Å; I102-L177 HydrophobicContact CB-CG 4.37Å; I102-L177 HydrophobicContact CG2-CD2 4.11Å; I102-L177 PolarHBondContact N-O 3.35Å; I102-L177 PolarHBondContact O-N 2.86Å; W142-L177 HydrophobicContact CE3-CD1 3.9Å; W142-L177 HydrophobicContact CZ3-CD1 3.74Å; L144-L177 HydrophobicContact CD1-CD2 4.4Å; L144-L177 HydrophobicContact CD2-CD1 4.11Å; L177-F190 HydrophobicContact CD1-CD1 3.78Å; L177-F190 HydrophobicContact CD1-CE1 4.24Å; L177-V192 HydrophobicContact CB-CG2 3.94Å
178	L	98.7	Very high	92.7	Very high	30 Å²	30	30.6 Å²	30.6	16%	0.157	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	137.9	166.6	-59.7	174	0	0	0	109.9	L41 W100 Q101 F190 I191 I227	L41-L178 HydrophobicContact CD2-CD1 3.95Å; W100-L178 WeakPolarHBondContact O-CA 3.13Å; Q101-L178 HydrophobicContact CB-CD2 3.7Å; Q101-L178 HydrophobicContact CG-CD2 4.25Å; L178-F190 VanDerWaalsContact O-CA 3.29Å; L178-F190 WeakPolarHBondContact O-CA 3.1Å; L178-I191 HydrophobicContact CB-CB 4.08Å; L178-I191 HydrophobicContact CD1-CB 4.29Å; L178-I191 HydrophobicContact CD1-CD1 4.15Å; L178-I191 HydrophobicContact CD1-CG2 4.41Å; L178-I191 PolarHBondContact N-O 3.04Å; L178-I191 PolarHBondContact O-N 2.87Å; L178-I227 HydrophobicContact CD2-CD1 4.35Å; L178-I227 HydrophobicContact CD2-CG1 3.86Å
179	V	98.9	Very high	93.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.8	170.2	-171.5	0	0	0	0	107.5	A99 W100 I102 V115 L188 F190	A99-V179 VanDerWaalsContact CA-O 3.26Å; A99-V179 WeakPolarHBondContact CA-O 3.49Å; W100-V179 HydrophobicContact CD2-CB 4.12Å; W100-V179 HydrophobicContact CD2-CG1 4.48Å; W100-V179 HydrophobicContact CG-CB 4.35Å; W100-V179 HydrophobicContact CH2-CG1 4.1Å; W100-V179 HydrophobicContact CZ2-CB 3.91Å; W100-V179 HydrophobicContact CZ2-CG1 3.4Å; W100-V179 VanDerWaalsContact CZ2-CG1 3.4Å; W100-V179 PolarHBondContact N-O 2.79Å; W100-V179 PolarHBondContact O-N 2.94Å; I102-V179 HydrophobicContact CG1-CG2 3.96Å; V115-V179 HydrophobicContact CG1-CG2 3.68Å; V179-L188 HydrophobicContact CG1-CD1 3.61Å; V179-F190 HydrophobicContact CB-CD1 4.37Å; V179-F190 HydrophobicContact CB-CE1 4.31Å; V179-F190 HydrophobicContact CG1-CD1 4.31Å; V179-F190 HydrophobicContact CG1-CE1 3.9Å; V179-F190 HydrophobicContact CG2-CD1 4.03Å; V179-F190 HydrophobicContact CG2-CE1 3.87Å
180	V	98.8	Very high	94.8	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.03	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	113.7	-176.2	-178.4	0	0	0	0	108.9	L37 L97 H98 A99 L188 S189 I191	L37-V180 HydrophobicContact CD1-CB 4.4Å; L37-V180 HydrophobicContact CD1-CG1 3.66Å; L37-V180 HydrophobicContact CD1-CG2 3.78Å; L37-V180 HydrophobicContact CD2-CG1 4.14Å; L37-V180 HydrophobicContact CD2-CG2 4.25Å; L37-V180 HydrophobicContact CG-CG1 4.48Å; L97-V180 HydrophobicContact CD1-CG1 3.65Å; H98-V180 WeakPolarHBondContact O-CA 3.41Å; A99-V180 HydrophobicContact CB-CG2 4.37Å; V180-L188 WeakPolarHBondContact O-CA 3.29Å; V180-S189 PolarHBondContact N-O 2.91Å; V180-S189 PolarHBondContact O-N 3.02Å; V180-I191 HydrophobicContact CG2-CD1 4.13Å; V180-I191 HydrophobicContact CG2-CG1 4.48Å
181	L	98.9	Very high	95.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	113.1	179.1	177.2	63.9	0	0	0	109.4	H93 L97 H98 W100 V117 M183 L188 L204 L209	H93-L181 HydrophobicContact CB-CD2 3.94Å; L97-L181 CarbonylContact C-O 3.53Å; L97-L181 WeakPolarHBondContact CA-O 3.17Å; H98-L181 PolarHBondContact N-O 3.3Å; H98-L181 PolarHBondContact O-N 3.14Å; W100-L181 HydrophobicContact CH2-CB 3.69Å; W100-L181 HydrophobicContact CH2-CD2 4Å; W100-L181 HydrophobicContact CH2-CG 4.49Å; W100-L181 HydrophobicContact CZ3-CB 3.76Å; W100-L181 HydrophobicContact CZ3-CD2 4.28Å; V117-L181 HydrophobicContact CG1-CD1 4.38Å; V117-L181 HydrophobicContact CG1-CD2 4.19Å; L181-M183 HydrophobicContact CD1-CG 4.49Å; L181-M183 HydrophobicContact CD1-SD 3.68Å; L181-M183 HydrophobicContact CD2-CG 4.05Å; L181-M183 HydrophobicContact CD2-SD 3.76Å; L181-M183 HydrophobicContact CG-CG 3.98Å; L181-M183 HydrophobicContact CG-SD 3.76Å; L181-L188 HydrophobicContact CB-CD1 4.26Å; L181-L188 HydrophobicContact CD1-CD1 4.31Å; L181-L204 HydrophobicContact CD1-CD1 3.85Å; L181-L209 HydrophobicContact CD1-CD1 4.28Å; L181-L209 HydrophobicContact CD2-CB 4.2Å
182	D	98.4	Very high	96.8	Very high	14 Å²	14	21.7 Å²	21.7	8%	0.075	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	104.4	171.2	-164.6	-42.5	0	0	0	108.8	L97 D184 E185 G186 T187	L97-D182 HydrophobicContact CD1-CB 3.65Å; D182-D184 VanDerWaalsContact C-N 3.32Å; D182-D184 WeakPolarHBondContact OD1-CA 3.39Å; D182-D184 WeakPolarHBondContact OD1-CB 3.3Å; D182-D184 PolarHBondContact OD1-N 2.83Å; D182-E185 HydrophobicContact CB-CB 4.25Å; D182-E185 PolarHBondContact OD1-N 2.79Å; D182-G186 CarbonylContact O-C 3.43Å; D182-G186 WeakPolarHBondContact O-CA 3.45Å; D182-G186 PolarHBondContact O-N 3.02Å; D182-T187 PolarHBondContact N-O 2.8Å; D182-T187 PolarHBondContact O-N 2.87Å
183	M	98.3	Very high	97.1	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.015	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-15.1	178.7	-68.5	-57.2	-61.6	0	0	112.9	H93 R95 G96 L181 L204 K207 L209	H93-M183 HydrophobicContact CB-CG 4.06Å; R95-M183 VanDerWaalsContact CA-CB 3.48Å; G96-M183 WeakPolarHBondContact O-CB 3.27Å; G96-M183 PolarHBondContact O-N 2.94Å; L181-M183 HydrophobicContact CD1-CG 4.49Å; L181-M183 HydrophobicContact CD1-SD 3.68Å; L181-M183 HydrophobicContact CD2-CG 4.05Å; L181-M183 HydrophobicContact CD2-SD 3.76Å; L181-M183 HydrophobicContact CG-CG 3.98Å; L181-M183 HydrophobicContact CG-SD 3.76Å; M183-L204 WeakPolarHBondContact CE-O 3.25Å; M183-K207 HydrophobicContact CE-CB 4.46Å; M183-K207 WeakPolarHBondContact CE-O 3.32Å; M183-L209 HydrophobicContact CE-CD1 4.23Å; M183-L209 HydrophobicContact CE-CG 4.27Å; M183-L209 HydrophobicContact SD-CB 4.33Å; M183-L209 HydrophobicContact SD-CD1 3.9Å; M183-L209 HydrophobicContact SD-CG 4.29Å
184	D	94.9	Very high	97	Very high	23 Å²	23	26.3 Å²	26.3	12%	0.123	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-46	178.7	-55.5	-35.1	0	0	0	110.3	R36 G96 D182 K205 P232	R36-D184 IonicContact CZ-OD2 2.69Å; R36-D184 IonicContact NH1-OD2 2.72Å; R36-D184 PolarHBondContact NH1-OD2 3.31Å; R36-D184 IonicContact NH2-OD2 3.56Å; R36-D184 PolarHBondContact NH2-OD2 2.87Å; R36-D184 VanDerWaalsContact NH2-OD2 3.08Å; G96-D184 WeakPolarHBondContact CA-OD2 3.26Å; G96-D184 PolarHBondContact N-OD1 2.79Å; D182-D184 VanDerWaalsContact C-N 3.32Å; D182-D184 WeakPolarHBondContact OD1-CA 3.39Å; D182-D184 WeakPolarHBondContact OD1-CB 3.3Å; D182-D184 PolarHBondContact OD1-N 2.83Å; D184-K205 WeakPolarHBondContact O-CD 3.23Å; D184-K205 WeakPolarHBondContact O-CE 3.17Å; D184-K205 PolarHBondContact O-NZ 2.95Å; D184-P232 WeakPolarHBondContact OD1-CB 3.34Å; D184-P232 WeakPolarHBondContact OD2-CA 3.4Å; D184-P232 WeakPolarHBondContact OD2-CB 3.42Å
185	E	96.3	Very high	96.8	Very high	134 Å²	134	26 Å²	26	63%	0.626	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-18	172.3	-67	-58.6	135.9	0	0	112.6	D182 T187	D182-E185 HydrophobicContact CB-CB 4.25Å; D182-E185 PolarHBondContact OD1-N 2.79Å; E185-T187 HydrophobicContact CB-CG2 4.1Å
186	G	98.2	Very high	96.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	47.8	-178.1	0	0	0	0	0	112.8	D182 R202 G203 L204	D182-G186 CarbonylContact O-C 3.43Å; D182-G186 WeakPolarHBondContact O-CA 3.45Å; D182-G186 PolarHBondContact O-N 3.02Å; G186-R202 CarbonylContact O-C 3.6Å; G186-R202 WeakPolarHBondContact O-CA 3.49Å; G186-G203 PolarHBondContact O-N 2.85Å; G186-L204 WeakPolarHBondContact O-CB 3.46Å; G186-L204 PolarHBondContact O-N 3.37Å
187	T	98.7	Very high	96.6	Very high	12 Å²	12	21.4 Å²	21.4	7%	0.074	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.9	-177	67.1	0	0	0	0	113.5	D182 E185 V199 F201 R202	D182-T187 PolarHBondContact N-O 2.8Å; D182-T187 PolarHBondContact O-N 2.87Å; E185-T187 HydrophobicContact CB-CG2 4.1Å; T187-V199 HydrophobicContact CG2-CG1 4.1Å; T187-F201 WeakPolarHBondContact CA-O 3.42Å; T187-R202 HydrophobicContact CG2-CG 4.21Å; T187-R202 VanDerWaalsContact CG2-NH1 3.29Å
188	L	98.9	Very high	96.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	134	168.4	-177.5	69.9	0	0	0	108.6	V117 V179 V180 L181 F190 A200 F201 L204	V117-L188 HydrophobicContact CG1-CD1 3.85Å; V117-L188 HydrophobicContact CG1-CD2 4.34Å; V117-L188 HydrophobicContact CG2-CD2 4.04Å; V179-L188 HydrophobicContact CG1-CD1 3.61Å; V180-L188 WeakPolarHBondContact O-CA 3.29Å; L181-L188 HydrophobicContact CB-CD1 4.26Å; L181-L188 HydrophobicContact CD1-CD1 4.31Å; L188-F190 HydrophobicContact CD2-CE2 4.37Å; L188-F190 HydrophobicContact CD2-CZ 4.06Å; L188-F190 HydrophobicContact CG-CE2 4.39Å; L188-F190 HydrophobicContact CG-CZ 4.33Å; L188-A200 WeakPolarHBondContact O-CA 3.24Å; L188-A200 WeakPolarHBondContact O-CB 3.33Å; L188-A200 PolarHBondContact O-N 3.46Å; L188-F201 HydrophobicContact CB-CB 4.26Å; L188-F201 HydrophobicContact CB-CD2 4.15Å; L188-F201 HydrophobicContact CD2-CD2 3.79Å; L188-F201 HydrophobicContact CD2-CE2 4.16Å; L188-F201 HydrophobicContact CG-CD2 4.38Å; L188-F201 PolarHBondContact N-O 3.25Å; L188-F201 PolarHBondContact O-N 3.32Å; L188-F201 VanDerWaalsContact O-N 3.09Å; L188-L204 HydrophobicContact CB-CD1 3.75Å
189	S	98.6	Very high	96.4	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.014	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	168.9	-179.2	-55.7	0	0	0	0	110.8	V180 Y196 G198 V199	V180-S189 PolarHBondContact N-O 2.91Å; V180-S189 PolarHBondContact O-N 3.02Å; S189-Y196 VanDerWaalsContact CB-CE2 3.47Å; S189-Y196 PolarHBondContact OG-OH 2.78Å; S189-Y196 VanDerWaalsContact OG-OH 3.04Å; S189-G198 VanDerWaalsContact CB-O 3.24Å; S189-G198 WeakPolarHBondContact CB-O 3.16Å; S189-G198 PolarHBondContact OG-O 2.77Å; S189-V199 WeakPolarHBondContact OG-CA 3.45Å
190	F	98.3	Very high	96.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	149.4	178.9	-58.5	-88	0	0	0	112	V115 W142 L149 Y161 L177 L178 V179 L188 L197 A200	V115-F190 HydrophobicContact CG1-CE1 4.29Å; W142-F190 HydrophobicContact CB-CE1 4.44Å; W142-F190 HydrophobicContact CB-CE2 3.82Å; W142-F190 HydrophobicContact CB-CZ 3.71Å; W142-F190 HydrophobicContact CD2-CD2 4.36Å; W142-F190 HydrophobicContact CD2-CE2 4.39Å; W142-F190 HydrophobicContact CE3-CB 4.11Å; W142-F190 AromaticContact CE3-CD1 3.71Å; W142-F190 HydrophobicContact CE3-CD1 3.71Å; W142-F190 AromaticContact CE3-CD2 3.74Å; W142-F190 HydrophobicContact CE3-CD2 3.74Å; W142-F190 AromaticContact CE3-CE1 3.97Å; W142-F190 HydrophobicContact CE3-CE1 3.97Å; W142-F190 HydrophobicContact CE3-CE2 4.03Å; W142-F190 AromaticContact CE3-CG 3.57Å; W142-F190 HydrophobicContact CE3-CG 3.57Å; W142-F190 HydrophobicContact CE3-CZ 4.12Å; W142-F190 HydrophobicContact CG-CE2 4.37Å; W142-F190 HydrophobicContact CZ3-CB 3.75Å; W142-F190 HydrophobicContact CZ3-CD1 4.06Å; W142-F190 HydrophobicContact CZ3-CD2 4.24Å; W142-F190 AromaticContact CZ3-CG 3.76Å; W142-F190 HydrophobicContact CZ3-CG 3.76Å; L149-F190 HydrophobicContact CD2-CE2 4.42Å; Y161-F190 HydrophobicContact CE1-CB 4.21Å; Y161-F190 AromaticContact CE1-CD2 3.7Å; Y161-F190 HydrophobicContact CE1-CD2 3.7Å; Y161-F190 HydrophobicContact CE1-CG 4.33Å; Y161-F190 AromaticContact CZ-CD2 3.87Å; Y161-F190 PolarHBondContact OH-N 3.28Å; L177-F190 HydrophobicContact CD1-CD1 3.78Å; L177-F190 HydrophobicContact CD1-CE1 4.24Å; L178-F190 VanDerWaalsContact O-CA 3.29Å; L178-F190 WeakPolarHBondContact O-CA 3.1Å; V179-F190 HydrophobicContact CB-CD1 4.37Å; V179-F190 HydrophobicContact CB-CE1 4.31Å; V179-F190 HydrophobicContact CG1-CD1 4.31Å; V179-F190 HydrophobicContact CG1-CE1 3.9Å; V179-F190 HydrophobicContact CG2-CD1 4.03Å; V179-F190 HydrophobicContact CG2-CE1 3.87Å; L188-F190 HydrophobicContact CD2-CE2 4.37Å; L188-F190 HydrophobicContact CD2-CZ 4.06Å; L188-F190 HydrophobicContact CG-CE2 4.39Å; L188-F190 HydrophobicContact CG-CZ 4.33Å; F190-L197 HydrophobicContact CB-CD1 4.45Å; F190-L197 WeakPolarHBondContact O-CB 3.39Å; F190-L197 PolarHBondContact O-N 3.17Å; F190-A200 HydrophobicContact CD2-CB 3.98Å; F190-A200 HydrophobicContact CE2-CB 3.76Å
191	I	97.1	Very high	96.4	Very high	5 Å²	5	24 Å²	24	3%	0.026	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132.5	168.3	-61	161.6	0	0	0	108.2	L37 L41 L178 V180 Q195 Y196	L37-I191 HydrophobicContact CD1-CD1 4.29Å; L37-I191 HydrophobicContact CD2-CD1 3.96Å; L37-I191 HydrophobicContact CG-CD1 4.29Å; L41-I191 HydrophobicContact CD1-CD1 3.58Å; L178-I191 HydrophobicContact CB-CB 4.08Å; L178-I191 HydrophobicContact CD1-CB 4.29Å; L178-I191 HydrophobicContact CD1-CD1 4.15Å; L178-I191 HydrophobicContact CD1-CG2 4.41Å; L178-I191 PolarHBondContact N-O 3.04Å; L178-I191 PolarHBondContact O-N 2.87Å; V180-I191 HydrophobicContact CG2-CD1 4.13Å; V180-I191 HydrophobicContact CG2-CG1 4.48Å; I191-Q195 VanDerWaalsContact CA-O 3.25Å; I191-Q195 WeakPolarHBondContact CA-O 3.26Å; I191-Q195 WeakPolarHBondContact CG2-O 3.34Å; I191-Y196 HydrophobicContact CG1-CD2 4.05Å
192	V	95.2	Very high	96.3	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	134	177.1	-179.8	0	0	0	0	108.5	L26 W142 F171 L173 P174 L177 G194 Q195 L197	L26-V192 HydrophobicContact CD1-CB 4.36Å; L26-V192 HydrophobicContact CD1-CG1 4.11Å; W142-V192 HydrophobicContact CH2-CG2 4Å; W142-V192 HydrophobicContact CZ3-CG2 4.12Å; F171-V192 HydrophobicContact CE1-CG1 4.17Å; L173-V192 HydrophobicContact CD2-CB 4.42Å; L173-V192 HydrophobicContact CD2-CG1 4Å; L173-V192 HydrophobicContact CD2-CG2 3.7Å; P174-V192 HydrophobicContact CG-CG1 3.45Å; P174-V192 VanDerWaalsContact CG-CG1 3.45Å; L177-V192 HydrophobicContact CB-CG2 3.94Å; V192-G194 PolarHBondContact O-N 2.87Å; V192-Q195 PolarHBondContact N-O 3.37Å; V192-Q195 PolarHBondContact O-N 3.01Å; V192-L197 HydrophobicContact CB-CD1 4.14Å; V192-L197 HydrophobicContact CG2-CD1 3.64Å; V192-L197 HydrophobicContact CG2-CG 4.5Å
193	D	90.9	Very high	96.3	Very high	119 Å²	119	34.3 Å²	34.3	64%	0.636	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.3	35.2	-175.9	-62.7	-34	0	0	0	113.7	L26 Q195	L26-D193 HydrophobicContact CD1-CB 3.92Å; D193-Q195 VanDerWaalsContact C-N 3.27Å; D193-Q195 PolarHBondContact O-N 3.02Å
194	G	87.8	Confident	96.3	Very high	54 Å²	54	34.1 Å²	34.1	56%	0.557	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.2	0.6	-179.5	0	0	0	0	0	115.3	R33 V192	R33-G194 PolarHBondContact NH2-O 3.05Å; V192-G194 PolarHBondContact O-N 2.87Å
195	Q	91.6	Very high	96.4	Very high	28 Å²	28	40 Å²	40	13%	0.131	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.6	175.7	-179.9	170	-4.4	0	0	111.8	G28 E30 I191 V192 D193 L197	G28-Q195 PolarHBondContact O-NE2 2.91Å; E30-Q195 HydrophobicContact CB-CG 4.34Å; E30-Q195 HydrophobicContact CG-CG 4.08Å; I191-Q195 VanDerWaalsContact CA-O 3.25Å; I191-Q195 WeakPolarHBondContact CA-O 3.26Å; I191-Q195 WeakPolarHBondContact CG2-O 3.34Å; V192-Q195 PolarHBondContact N-O 3.37Å; V192-Q195 PolarHBondContact O-N 3.01Å; D193-Q195 VanDerWaalsContact C-N 3.27Å; D193-Q195 PolarHBondContact O-N 3.02Å; Q195-L197 HydrophobicContact CG-CD2 4.37Å
196	Y	95.3	Very high	96.3	Very high	9 Å²	9	37.3 Å²	37.3	4%	0.035	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	130.1	170.5	-179.2	-116.2	0	0	0	110.1	E30 P31 R33 L37 S189 I191 G198	E30-Y196 WeakPolarHBondContact OE1-CB 3.34Å; E30-Y196 PolarHBondContact OE1-N 2.69Å; P31-Y196 HydrophobicContact CB-CD1 4.31Å; P31-Y196 HydrophobicContact CB-CE1 4.47Å; P31-Y196 VanDerWaalsContact CD-O 3.26Å; P31-Y196 WeakPolarHBondContact CD-O 3.33Å; R33-Y196 HydrophobicContact CB-CD1 4.17Å; R33-Y196 HydrophobicContact CB-CG 4.35Å; R33-Y196 HydrophobicContact CG-CD1 4.31Å; R33-Y196 HydrophobicContact CG-CD2 4.49Å; R33-Y196 HydrophobicContact CG-CG 4.07Å; L37-Y196 HydrophobicContact CD2-CD2 3.74Å; L37-Y196 HydrophobicContact CD2-CE2 3.8Å; S189-Y196 VanDerWaalsContact CB-CE2 3.47Å; S189-Y196 PolarHBondContact OG-OH 2.78Å; S189-Y196 VanDerWaalsContact OG-OH 3.04Å; I191-Y196 HydrophobicContact CG1-CD2 4.05Å; Y196-G198 VanDerWaalsContact CE1-CA 3.48Å
197	L	95.3	Very high	96.4	Very high	6 Å²	6	41 Å²	41	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	2.4	-174.4	-63	-173.6	0	0	0	113.5	L26 W142 Y161 P162 F190 V192 Q195	L26-L197 HydrophobicContact CD2-CD2 3.61Å; W142-L197 HydrophobicContact CH2-CD1 3.52Å; W142-L197 HydrophobicContact CZ2-CD1 4.3Å; W142-L197 HydrophobicContact CZ3-CD1 4.16Å; Y161-L197 HydrophobicContact CE1-CB 3.86Å; Y161-L197 HydrophobicContact CE1-CD1 3.91Å; Y161-L197 HydrophobicContact CE2-CB 4.4Å; Y161-L197 WeakPolarHBondContact OH-CB 3.42Å; P162-L197 HydrophobicContact CB-CB 4.26Å; P162-L197 HydrophobicContact CB-CD2 4.22Å; P162-L197 HydrophobicContact CG-CD2 4.35Å; F190-L197 HydrophobicContact CB-CD1 4.45Å; F190-L197 WeakPolarHBondContact O-CB 3.39Å; F190-L197 PolarHBondContact O-N 3.17Å; V192-L197 HydrophobicContact CB-CD1 4.14Å; V192-L197 HydrophobicContact CG2-CD1 3.64Å; V192-L197 HydrophobicContact CG2-CG 4.5Å; Q195-L197 HydrophobicContact CG-CD2 4.37Å
198	G	96	Very high	96.4	Very high	9 Å²	9	45.9 Å²	45.9	9%	0.093	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	91	-178.1	-175.9	0	0	0	0	0	113.1	Y161 S189 Y196	Y161-G198 PolarHBondContact OH-O 2.67Å; Y161-G198 VanDerWaalsContact OH-O 3.05Å; S189-G198 VanDerWaalsContact CB-O 3.24Å; S189-G198 WeakPolarHBondContact CB-O 3.16Å; S189-G198 PolarHBondContact OG-O 2.77Å; Y196-G198 VanDerWaalsContact CE1-CA 3.48Å
199	V	97.8	Very high	96.4	Very high	49 Å²	49	45.9 Å²	45.9	30%	0.297	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	122.2	178.3	176.1	0	0	0	0	109.6	T187 S189 F201 R202	T187-V199 HydrophobicContact CG2-CG1 4.1Å; S189-V199 WeakPolarHBondContact OG-CA 3.45Å; V199-F201 WeakPolarHBondContact CG1-O 3.34Å; V199-R202 HydrophobicContact CG1-CG 3.73Å
200	A	98.2	Very high	96.4	Very high	15 Å²	15	47.4 Å²	47.4	12%	0.124	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	-45.5	174.9	0	0	0	0	0	111.7	L149 Y161 L188 F190	L149-A200 HydrophobicContact CD1-CB 3.61Å; L149-A200 WeakPolarHBondContact CD1-O 3.23Å; L149-A200 HydrophobicContact CD2-CB 3.77Å; L149-A200 HydrophobicContact CG-CB 4.34Å; Y161-A200 HydrophobicContact CD2-CB 4.22Å; Y161-A200 HydrophobicContact CE2-CB 3.82Å; L188-A200 WeakPolarHBondContact O-CA 3.24Å; L188-A200 WeakPolarHBondContact O-CB 3.33Å; L188-A200 PolarHBondContact O-N 3.46Å; F190-A200 HydrophobicContact CD2-CB 3.98Å; F190-A200 HydrophobicContact CE2-CB 3.76Å
201	F	98.7	Very high	96.4	Very high	21 Å²	21	47.6 Å²	47.6	9%	0.092	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	152.6	-178.9	-56.6	-85.2	0	0	0	112.2	W140 G141 L149 Y150 H151 T187 L188 V199	W140-F201 HydrophobicContact CB-CD1 4.19Å; W140-F201 HydrophobicContact CB-CD2 3.92Å; W140-F201 HydrophobicContact CB-CE1 4.22Å; W140-F201 HydrophobicContact CB-CE2 3.95Å; W140-F201 HydrophobicContact CB-CG 3.99Å; W140-F201 HydrophobicContact CB-CZ 4.08Å; W140-F201 AromaticContact CD1-CD1 3.53Å; W140-F201 AromaticContact CD1-CG 3.77Å; W140-F201 HydrophobicContact CG-CD1 4.25Å; W140-F201 HydrophobicContact CG-CG 4.22Å; G141-F201 WeakPolarHBondContact O-CZ 3.27Å; L149-F201 HydrophobicContact CB-CE1 3.95Å; L149-F201 HydrophobicContact CB-CE2 4.29Å; L149-F201 HydrophobicContact CB-CZ 3.59Å; L149-F201 HydrophobicContact CD2-CE2 3.83Å; L149-F201 HydrophobicContact CD2-CZ 3.99Å; L149-F201 HydrophobicContact CG-CE2 4.44Å; L149-F201 HydrophobicContact CG-CZ 4.22Å; Y150-F201 WeakPolarHBondContact O-CZ 3.41Å; H151-F201 HydrophobicContact CB-CD1 4.23Å; H151-F201 HydrophobicContact CB-CE1 3.81Å; T187-F201 WeakPolarHBondContact CA-O 3.42Å; L188-F201 HydrophobicContact CB-CB 4.26Å; L188-F201 HydrophobicContact CB-CD2 4.15Å; L188-F201 HydrophobicContact CD2-CD2 3.79Å; L188-F201 HydrophobicContact CD2-CE2 4.16Å; L188-F201 HydrophobicContact CG-CD2 4.38Å; L188-F201 PolarHBondContact N-O 3.25Å; L188-F201 PolarHBondContact O-N 3.32Å; L188-F201 VanDerWaalsContact O-N 3.09Å; V199-F201 WeakPolarHBondContact CG1-O 3.34Å
202	R	98.5	Very high	96.5	Very high	170 Å²	170	47.5 Å²	47.5	64%	0.642	27%	0.272	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	170.7	174.6	-62.4	-169.2	174.1	-77.9	1.2	110.3	G186 T187 V199	G186-R202 CarbonylContact O-C 3.6Å; G186-R202 WeakPolarHBondContact O-CA 3.49Å; T187-R202 HydrophobicContact CG2-CG 4.21Å; T187-R202 VanDerWaalsContact CG2-NH1 3.29Å; V199-R202 HydrophobicContact CG1-CG 3.73Å
203	G	98.1	Very high	96.7	Very high	60 Å²	60	47.5 Å²	47.5	62%	0.619	27%	0.272	S	S	*	.			trans	80.9	24.1	176.6	0	0	0	0	0	113.7	G186 K207	G186-G203 PolarHBondContact O-N 2.85Å; G203-K207 VanDerWaalsContact O-CE 3.23Å; G203-K207 WeakPolarHBondContact O-CE 3.49Å
204	L	98.6	Very high	97	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.241	C	C	.	.			trans	-88.5	-11.4	-178.6	-54.4	-175.9	0	0	0	113.5	V117 W140 L181 M183 G186 L188 K207 L209	V117-L204 HydrophobicContact CG2-CD1 4.46Å; W140-L204 HydrophobicContact CD2-CD2 3.52Å; W140-L204 HydrophobicContact CE3-CD2 4.04Å; W140-L204 HydrophobicContact CG-CD2 3.94Å; W140-L204 HydrophobicContact CH2-CD2 4.32Å; W140-L204 HydrophobicContact CZ2-CD2 3.79Å; W140-L204 HydrophobicContact CZ3-CD2 4.42Å; L181-L204 HydrophobicContact CD1-CD1 3.85Å; M183-L204 WeakPolarHBondContact CE-O 3.25Å; G186-L204 WeakPolarHBondContact O-CB 3.46Å; G186-L204 PolarHBondContact O-N 3.37Å; L188-L204 HydrophobicContact CB-CD1 3.75Å; L204-K207 WeakPolarHBondContact O-CB 3.33Å; L204-K207 WeakPolarHBondContact O-CG 3.32Å; L204-K207 PolarHBondContact O-N 3Å; L204-L209 HydrophobicContact CB-CD1 3.76Å; L204-L209 HydrophobicContact CD1-CD1 4.05Å; L204-L209 HydrophobicContact CD2-CD1 4.08Å; L204-L209 HydrophobicContact CG-CD1 4.18Å
205	K	96.7	Very high	97.6	Very high	145 Å²	145	39.2 Å²	39.2	63%	0.63	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	143.1	-178	-169.2	170.8	-170.6	152.2	0	111.7	D184 K207	D184-K205 WeakPolarHBondContact O-CD 3.23Å; D184-K205 WeakPolarHBondContact O-CE 3.17Å; D184-K205 PolarHBondContact O-NZ 2.95Å; K205-K207 PolarHBondContact O-N 2.98Å
206	G	94.8	Very high	97.9	Very high	78 Å²	78	38.4 Å²	38.4	80%	0.804	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.8	5.2	180	0	0	0	0	0	114.7
207	K	98.4	Very high	98.1	Very high	78 Å²	78	43.6 Å²	43.6	34%	0.339	23%	0.231	S	C	.	.			trans	-97.4	166.8	173.7	-56.6	179.4	-170.3	-65.7	0	110.5	W140 M183 G203 L204 K205 L209	W140-K207 HydrophobicContact CH2-CD 3.58Å; W140-K207 HydrophobicContact CZ2-CD 4.09Å; W140-K207 HydrophobicContact CZ3-CD 4.32Å; M183-K207 HydrophobicContact CE-CB 4.46Å; M183-K207 WeakPolarHBondContact CE-O 3.32Å; G203-K207 VanDerWaalsContact O-CE 3.23Å; G203-K207 WeakPolarHBondContact O-CE 3.49Å; L204-K207 WeakPolarHBondContact O-CB 3.33Å; L204-K207 WeakPolarHBondContact O-CG 3.32Å; L204-K207 PolarHBondContact O-N 3Å; K205-K207 PolarHBondContact O-N 2.98Å; K207-L209 HydrophobicContact CB-CD1 4.36Å; K207-L209 HydrophobicContact CB-CD2 3.96Å; K207-L209 HydrophobicContact CB-CG 3.91Å; K207-L209 HydrophobicContact CD-CD2 4.25Å
208	K	98.7	Very high	98.2	Very high	115 Å²	115	44.3 Å²	44.3	50%	0.5	24%	0.241	S	C	.	.			trans	-112.4	112.1	163.7	-174.2	176.8	-176.4	-178.8	0	108.3	G92 H93 Y210	G92-K208 VanDerWaalsContact O-CE 3.28Å; G92-K208 WeakPolarHBondContact O-CE 3.46Å; H93-K208 CarbonylContact O-C 3.55Å; H93-K208 WeakPolarHBondContact O-CA 3.45Å; K208-Y210 HydrophobicContact CD-CE2 4.5Å; K208-Y210 VanDerWaalsContact CE-OH 3.23Å; K208-Y210 WeakPolarHBondContact CE-OH 3.37Å; K208-Y210 HydrophobicContact CG-CE2 4.21Å; K208-Y210 PolarHBondContact NZ-OH 2.76Å
209	L	98.9	Very high	98.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-119.1	133.4	-169	-62.7	-178.8	0	0	0	111.9	G92 H93 V117 A118 T119 W140 L181 M183 L204 K207	G92-L209 CarbonylContact C-O 3.56Å; G92-L209 WeakPolarHBondContact CA-O 3.41Å; H93-L209 PolarHBondContact N-O 2.95Å; H93-L209 PolarHBondContact O-N 2.93Å; V117-L209 HydrophobicContact CB-CB 4.25Å; V117-L209 HydrophobicContact CG2-CB 4.44Å; V117-L209 HydrophobicContact CG2-CD1 3.92Å; A118-L209 CarbonylContact O-C 3.59Å; A118-L209 WeakPolarHBondContact O-CA 3.39Å; T119-L209 HydrophobicContact CG2-CD2 3.93Å; W140-L209 HydrophobicContact CE3-CD2 4.18Å; W140-L209 HydrophobicContact CH2-CD2 4.29Å; W140-L209 HydrophobicContact CZ3-CD2 3.52Å; L181-L209 HydrophobicContact CD1-CD1 4.28Å; L181-L209 HydrophobicContact CD2-CB 4.2Å; M183-L209 HydrophobicContact CE-CD1 4.23Å; M183-L209 HydrophobicContact CE-CG 4.27Å; M183-L209 HydrophobicContact SD-CB 4.33Å; M183-L209 HydrophobicContact SD-CD1 3.9Å; M183-L209 HydrophobicContact SD-CG 4.29Å; L204-L209 HydrophobicContact CB-CD1 3.76Å; L204-L209 HydrophobicContact CD1-CD1 4.05Å; L204-L209 HydrophobicContact CD2-CD1 4.08Å; L204-L209 HydrophobicContact CG-CD1 4.18Å; K207-L209 HydrophobicContact CB-CD1 4.36Å; K207-L209 HydrophobicContact CB-CD2 3.96Å; K207-L209 HydrophobicContact CB-CG 3.91Å; K207-L209 HydrophobicContact CD-CD2 4.25Å
210	Y	98.9	Very high	98.4	Very high	34 Å²	34	46.6 Å²	46.6	13%	0.133	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	142	-179.5	-60.5	-98.6	0	0	0	109	G89 V91 G92 V117 A118 A120 K208 V212	G89-Y210 WeakPolarHBondContact O-CD1 3.47Å; V91-Y210 VanDerWaalsContact C-CD1 3.44Å; V91-Y210 WeakPolarHBondContact O-CD1 3.36Å; G92-Y210 VanDerWaalsContact N-CD1 3.3Å; V117-Y210 CarbonylContact C-O 3.51Å; V117-Y210 VanDerWaalsContact CA-O 3.22Å; V117-Y210 WeakPolarHBondContact CA-O 3.42Å; A118-Y210 PolarHBondContact N-O 2.88Å; A118-Y210 PolarHBondContact O-N 3.44Å; A120-Y210 HydrophobicContact CB-CE2 3.99Å; K208-Y210 HydrophobicContact CD-CE2 4.5Å; K208-Y210 VanDerWaalsContact CE-OH 3.23Å; K208-Y210 WeakPolarHBondContact CE-OH 3.37Å; K208-Y210 HydrophobicContact CG-CE2 4.21Å; K208-Y210 PolarHBondContact NZ-OH 2.76Å; Y210-V212 PolarHBondContact O-N 3.44Å
211	P	98.9	Very high	98.4	Very high	4 Å²	4	48.7 Å²	48.7	3%	0.026	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	137.1	163.6	-23.4	33.9	0	0	0	110	W56 R88 G89 W100 M224	W56-P211 HydrophobicContact CZ3-CB 4.5Å; R88-P211 CarbonylContact C-O 3.43Å; R88-P211 VanDerWaalsContact CA-O 3.28Å; R88-P211 WeakPolarHBondContact CA-O 3.39Å; G89-P211 PolarHBondContact N-O 2.82Å; W100-P211 HydrophobicContact CD2-CB 4.37Å; W100-P211 HydrophobicContact CD2-CG 4.08Å; W100-P211 HydrophobicContact CE3-CG 4.26Å; W100-P211 HydrophobicContact CH2-CB 4.43Å; W100-P211 HydrophobicContact CH2-CG 3.99Å; W100-P211 HydrophobicContact CZ2-CB 3.75Å; W100-P211 HydrophobicContact CZ2-CG 3.79Å; W100-P211 HydrophobicContact CZ3-CG 4.22Å; P211-M224 HydrophobicContact CB-CE 4.15Å; P211-M224 HydrophobicContact CB-SD 3.44Å; P211-M224 WeakPolarHBondContact CB-SD 3.18Å; P211-M224 HydrophobicContact CG-CE 4.48Å; P211-M224 HydrophobicContact CG-SD 4.01Å
212	V	98.9	Very high	98.4	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.018	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	150.4	179.5	72.8	0	0	0	0	110.8	I87 R88 G116 A118 L124 V133 Y210	I87-V212 WeakPolarHBondContact O-CA 3.29Å; I87-V212 WeakPolarHBondContact O-CG2 2.83Å; R88-V212 HydrophobicContact CG-CB 4.13Å; R88-V212 HydrophobicContact CG-CG2 3.92Å; G116-V212 CarbonylContact C-O 3.59Å; G116-V212 PolarHBondContact N-O 3.2Å; G116-V212 PolarHBondContact O-N 3.49Å; A118-V212 HydrophobicContact CB-CB 4.07Å; A118-V212 HydrophobicContact CB-CG1 3.68Å; A118-V212 HydrophobicContact CB-CG2 4.35Å; L124-V212 HydrophobicContact CD2-CG2 3.93Å; V133-V212 HydrophobicContact CB-CG1 4.47Å; V133-V212 HydrophobicContact CG1-CG1 3.7Å; V133-V212 HydrophobicContact CG2-CB 4.49Å; V133-V212 HydrophobicContact CG2-CG1 3.8Å; V133-V212 HydrophobicContact CG2-CG2 3.94Å; Y210-V212 PolarHBondContact O-N 3.44Å
213	V	98.9	Very high	98.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	160.7	164.2	-59.2	0	0	0	0	110.6	W56 F75 G86 I87 W104 V114 V115	W56-V213 HydrophobicContact CH2-CG1 3.92Å; W56-V213 HydrophobicContact CH2-CG2 4.19Å; W56-V213 HydrophobicContact CZ2-CG1 4.31Å; W56-V213 HydrophobicContact CZ2-CG2 4.34Å; F75-V213 HydrophobicContact CE1-CG2 3.42Å; F75-V213 VanDerWaalsContact CE1-CG2 3.42Å; F75-V213 HydrophobicContact CZ-CG2 3.63Å; G86-V213 WeakPolarHBondContact CA-O 3.08Å; I87-V213 HydrophobicContact CG2-CG2 4.22Å; I87-V213 PolarHBondContact N-O 2.81Å; I87-V213 PolarHBondContact O-N 2.85Å; W104-V213 HydrophobicContact CZ3-CB 3.94Å; W104-V213 HydrophobicContact CZ3-CG1 4.19Å; W104-V213 HydrophobicContact CZ3-CG2 4.45Å; V114-V213 CarbonylContact O-C 3.48Å; V114-V213 WeakPolarHBondContact O-CA 3.27Å; V114-V213 WeakPolarHBondContact O-CB 3.37Å; V115-V213 HydrophobicContact CB-CG1 4.35Å; V115-V213 HydrophobicContact CG1-CG1 4.34Å; V115-V213 HydrophobicContact CG2-CG1 3.94Å
214	S	98.9	Very high	98.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.1	162.4	56.3	0	0	0	0	111.2	D85 W104 V114 V133	D85-S214 CarbonylContact O-C 3.51Å; D85-S214 WeakPolarHBondContact O-CA 3.23Å; W104-S214 WeakPolarHBondContact CH2-O 3.25Å; V114-S214 PolarHBondContact N-O 3.42Å; V114-S214 VanDerWaalsContact N-O 3.1Å; V114-S214 PolarHBondContact O-N 3.01Å; V133-S214 PolarHBondContact N-OG 3.21Å
215	A	98.8	Very high	98.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	149	-173.7	0	0	0	0	0	112.1	R77 D85 W104	R77-A215 PolarHBondContact NE-O 3.07Å; D85-A215 PolarHBondContact N-O 2.88Å; D85-A215 PolarHBondContact O-N 2.81Å; W104-A215 HydrophobicContact CH2-CB 3.62Å; W104-A215 HydrophobicContact CZ2-CB 3.54Å
216	V	98.8	Very high	98.6	Very high	10 Å²	10	35.8 Å²	35.8	6%	0.061	18%	0.182	C	C	.	.			trans	-121.8	-11.4	176.9	-59.5	0	0	0	0	113.4	R77 T84 H112 Y129	R77-V216 VanDerWaalsContact NH1-C 3.34Å; R77-V216 PolarHBondContact NH1-O 3.22Å; T84-V216 HydrophobicContact CG2-CG1 3.99Å; H112-V216 HydrophobicContact CB-CG1 4.01Å; H112-V216 HydrophobicContact CB-CG2 4.32Å; H112-V216 WeakPolarHBondContact O-CG2 3.42Å; Y129-V216 HydrophobicContact CD1-CB 3.73Å; Y129-V216 HydrophobicContact CD1-CG1 3.92Å; Y129-V216 HydrophobicContact CE1-CB 4.35Å; Y129-V216 HydrophobicContact CG-CB 4.41Å; Y129-V216 HydrophobicContact CG-CG1 4.45Å
217	W	98.6	Very high	98.8	Very high	118 Å²	118	33.5 Å²	33.5	45%	0.447	15%	0.151	S	C	.	.	S	Bend	trans	-80.4	133	-174.4	-170.7	-94.7	0	0	0	111.2	R77 Q108 C220	R77-W217 WeakPolarHBondContact CD-O 3.45Å; R77-W217 PolarHBondContact NH1-O 2.56Å; Q108-W217 HydrophobicContact CB-CG 4.5Å; Q108-W217 WeakPolarHBondContact O-CB 3.38Å; W217-C220 HydrophobicContact CB-CB 4.04Å; W217-C220 HydrophobicContact CG-CB 4.42Å; W217-C220 PolarHBondContact O-SG 3.1Å; W217-C220 VanDerWaalsContact O-SG 3.41Å
218	G	98.4	Very high	98.8	Very high	22 Å²	22	30.9 Å²	30.9	23%	0.227	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	135.2	175	0	0	0	0	0	110.6	C220	G218-C220 PolarHBondContact O-N 2.69Å
219	H	98.6	Very high	98.6	Very high	105 Å²	105	26.7 Å²	26.7	49%	0.486	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	19.7	-177.8	-50.7	-65.2	0	0	0	115.2	H76 R77 P79	H76-H219 AromaticContact CE1-ND1 3.73Å; H76-H219 AromaticContact NE2-CG 3.95Å; H76-H219 AromaticContact NE2-ND1 3.22Å; H76-H219 PolarHBondContact NE2-ND1 2.94Å; R77-H219 VanDerWaalsContact O-CA 3.26Å; R77-H219 WeakPolarHBondContact O-CA 3.45Å; R77-H219 PolarHBondContact O-N 2.57Å; P79-H219 WeakPolarHBondContact CG-NE2 3.26Å
220	C	98.8	Very high	98.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.			trans	-67.4	141.1	171.1	67.8	0	0	0	0	110.6	H76 R77 Q108 W217 G218	H76-C220 WeakPolarHBondContact CA-O 3.39Å; R77-C220 VanDerWaalsContact CB-SG 3.55Å; R77-C220 PolarHBondContact N-O 2.88Å; Q108-C220 HydrophobicContact CB-CB 3.85Å; Q108-C220 VanDerWaalsContact O-CB 3.3Å; Q108-C220 WeakPolarHBondContact O-CB 3.38Å; W217-C220 HydrophobicContact CB-CB 4.04Å; W217-C220 HydrophobicContact CG-CB 4.42Å; W217-C220 PolarHBondContact O-SG 3.1Å; W217-C220 VanDerWaalsContact O-SG 3.41Å; G218-C220 PolarHBondContact O-N 2.69Å
221	E	98.9	Very high	97.9	Very high	59 Å²	59	30.3 Å²	30.3	28%	0.276	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127.2	171.5	-63.3	-166.6	167.6	0	0	109.6	K68 T74 F75 H76 P105	K68-E221 VanDerWaalsContact NZ-CD 3.33Å; K68-E221 IonicContact NZ-OE1 3.22Å; K68-E221 PolarHBondContact NZ-OE1 3.27Å; K68-E221 IonicContact NZ-OE2 2.78Å; K68-E221 PolarHBondContact NZ-OE2 3.1Å; T74-E221 HydrophobicContact CG2-CB 3.82Å; F75-E221 VanDerWaalsContact O-CA 3.25Å; F75-E221 WeakPolarHBondContact O-CA 3.46Å; H76-E221 HydrophobicContact CB-CG 4.25Å; H76-E221 IonicContact CE1-OE1 3.86Å; H76-E221 IonicContact CG-OE1 3.93Å; H76-E221 WeakPolarHBondContact ND1-CG 3.35Å; H76-E221 IonicContact ND1-OE1 2.95Å; H76-E221 PolarHBondContact ND1-OE1 3.04Å; P105-E221 WeakPolarHBondContact CD-O 3.28Å
222	V	98.9	Very high	97.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	117.3	-177.3	-173	0	0	0	0	109.8	W56 T74 F75 I102 W104	W56-V222 HydrophobicContact CZ2-CG1 4.48Å; W56-V222 PolarHBondContact NE1-O 2.99Å; T74-V222 WeakPolarHBondContact CA-O 3.04Å; F75-V222 HydrophobicContact CD1-CB 4.08Å; F75-V222 HydrophobicContact CE1-CB 3.46Å; F75-V222 VanDerWaalsContact CE1-CB 3.46Å; F75-V222 HydrophobicContact CE1-CG1 4.14Å; F75-V222 HydrophobicContact CE1-CG2 3.92Å; F75-V222 HydrophobicContact CE2-CG2 4.28Å; F75-V222 HydrophobicContact CZ-CB 3.7Å; F75-V222 HydrophobicContact CZ-CG2 3.59Å; F75-V222 PolarHBondContact N-O 2.91Å; F75-V222 PolarHBondContact O-N 2.93Å; F75-V222 VanDerWaalsContact O-N 3.11Å; I102-V222 HydrophobicContact CG2-CG1 3.87Å; W104-V222 HydrophobicContact CB-CG1 4.09Å; W104-V222 HydrophobicContact CB-CG2 4.38Å; W104-V222 HydrophobicContact CD2-CB 4.44Å; W104-V222 HydrophobicContact CD2-CG1 4.1Å; W104-V222 HydrophobicContact CD2-CG2 3.47Å; W104-V222 VanDerWaalsContact CD2-CG2 3.47Å; W104-V222 HydrophobicContact CE3-CG1 4Å; W104-V222 HydrophobicContact CE3-CG2 3.96Å; W104-V222 HydrophobicContact CG-CB 4.5Å; W104-V222 HydrophobicContact CG-CG1 4.19Å; W104-V222 HydrophobicContact CG-CG2 3.69Å; W104-V222 HydrophobicContact CH2-CG2 4.48Å; W104-V222 HydrophobicContact CZ2-CG2 4.06Å; W104-V222 HydrophobicContact CZ3-CG2 4.45Å
223	T	98.9	Very high	96	Very high	14 Å²	14	40.2 Å²	40.2	9%	0.086	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	136.8	179.9	-46	0	0	0	0	110.3	L73 T74 I102 N103 R225	L73-T223 HydrophobicContact CB-CG2 3.91Å; L73-T223 CarbonylContact O-C 3.49Å; L73-T223 WeakPolarHBondContact O-CA 3.13Å; T74-T223 VanDerWaalsContact OG1-CB 3.29Å; T74-T223 WeakPolarHBondContact OG1-CB 3.37Å; T74-T223 WeakPolarHBondContact OG1-CG2 3.26Å; T74-T223 PolarHBondContact OG1-OG1 2.81Å; I102-T223 WeakPolarHBondContact CA-O 3.38Å; N103-T223 PolarHBondContact N-O 3.28Å; N103-T223 PolarHBondContact O-N 2.99Å; T223-R225 HydrophobicContact CG2-CG 4.08Å
224	M	98.9	Very high	94.8	Very high	3 Å²	3	46.2 Å²	46.2	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	124.1	167.9	-178.5	173.7	62.8	0	0	110.9	H54 W56 L73 W100 Q101 I102 P211	H54-M224 WeakPolarHBondContact O-CE 3.4Å; W56-M224 HydrophobicContact CD2-CB 4.27Å; W56-M224 HydrophobicContact CD2-CE 3.88Å; W56-M224 HydrophobicContact CE3-CE 3.68Å; W56-M224 HydrophobicContact CE3-SD 4.39Å; W56-M224 HydrophobicContact CH2-CB 4.15Å; W56-M224 HydrophobicContact CH2-CE 4.13Å; W56-M224 HydrophobicContact CH2-SD 3.75Å; W56-M224 HydrophobicContact CZ2-CB 3.51Å; W56-M224 HydrophobicContact CZ2-CE 4.37Å; W56-M224 HydrophobicContact CZ2-CG 4.32Å; W56-M224 HydrophobicContact CZ2-SD 4.11Å; W56-M224 HydrophobicContact CZ3-CE 3.79Å; W56-M224 HydrophobicContact CZ3-SD 3.92Å; L73-M224 PolarHBondContact O-N 3.46Å; W100-M224 HydrophobicContact CB-CG 4.26Å; W100-M224 HydrophobicContact CG-CG 4.24Å; W100-M224 HydrophobicContact CG-SD 4.13Å; Q101-M224 CarbonylContact O-C 3.58Å; Q101-M224 WeakPolarHBondContact O-CA 3.41Å; I102-M224 HydrophobicContact CD1-CB 3.78Å; I102-M224 HydrophobicContact CD1-CG 3.82Å; I102-M224 HydrophobicContact CD1-SD 4.22Å; P211-M224 HydrophobicContact CB-CE 4.15Å; P211-M224 HydrophobicContact CB-SD 3.44Å; P211-M224 WeakPolarHBondContact CB-SD 3.18Å; P211-M224 HydrophobicContact CG-CE 4.48Å; P211-M224 HydrophobicContact CG-SD 4.01Å
225	R	98.9	Very high	93.5	Very high	94 Å²	94	48.4 Å²	48.4	36%	0.355	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	113.3	174.8	-58	-165	175.5	106.9	1	110.1	L73 W100 Q101 T223 I227	L73-R225 HydrophobicContact CD1-CG 4.09Å; W100-R225 CarbonylContact C-O 3.38Å; W100-R225 WeakPolarHBondContact CA-O 3.33Å; Q101-R225 HydrophobicContact CB-CB 4.45Å; Q101-R225 PolarHBondContact N-O 2.8Å; Q101-R225 PolarHBondContact O-N 2.88Å; T223-R225 HydrophobicContact CG2-CG 4.08Å; R225-I227 PolarHBondContact O-N 2.88Å
226	Y	98.8	Very high	92.8	Very high	15 Å²	15	52.2 Å²	52.2	6%	0.059	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	127.7	173	-173.3	-99	0	0	0	110.3	A46 V50 H54 H98 W100 N228 G229	A46-Y226 HydrophobicContact CB-CD1 4.16Å; V50-Y226 HydrophobicContact CG1-CD1 3.99Å; V50-Y226 HydrophobicContact CG1-CE1 4.24Å; H54-Y226 HydrophobicContact CB-CD2 3.9Å; H54-Y226 HydrophobicContact CB-CG 3.8Å; H54-Y226 AromaticContact CD2-CD2 3.71Å; H54-Y226 AromaticContact CD2-CE2 3.68Å; H54-Y226 AromaticContact CG-CD2 3.75Å; H54-Y226 AromaticContact CG-CG 3.71Å; H54-Y226 AromaticContact ND1-CD1 3.98Å; H54-Y226 AromaticContact NE2-CE2 4Å; H54-Y226 AromaticContact NE2-CZ 3.89Å; H98-Y226 HydrophobicContact CB-CE2 4.25Å; H98-Y226 AromaticContact ND1-CZ 3.9Å; H98-Y226 PolarHBondContact ND1-OH 2.98Å; W100-Y226 HydrophobicContact CB-CD2 4.42Å; Y226-N228 VanDerWaalsContact CE1-C 3.44Å; Y226-N228 VanDerWaalsContact CZ-C 3.41Å; Y226-N228 VanDerWaalsContact CZ-O 3.27Å; Y226-N228 VanDerWaalsContact OH-C 3.25Å; Y226-N228 PolarHBondContact OH-O 3.47Å; Y226-G229 WeakPolarHBondContact OH-CA 3.35Å; Y226-G229 PolarHBondContact OH-N 3.29Å; Y226-G229 VanDerWaalsContact OH-N 3.13Å
227	I	98.5	Very high	92.2	Very high	30 Å²	30	57.8 Å²	57.8	15%	0.154	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-62.1	-177.5	-59.3	-54.1	0	0	0	109.7	L40 L41 A46 A99 Q101 L178 R225	L40-I227 HydrophobicContact CD2-CG2 4.43Å; L41-I227 HydrophobicContact CD2-CG2 4.41Å; A46-I227 VanDerWaalsContact CB-O 3.25Å; A46-I227 WeakPolarHBondContact CB-O 3.38Å; A46-I227 PolarHBondContact N-O 2.95Å; A99-I227 HydrophobicContact CB-CB 4.35Å; A99-I227 WeakPolarHBondContact O-CA 3.29Å; A99-I227 WeakPolarHBondContact O-CB 3.19Å; A99-I227 PolarHBondContact O-N 2.79Å; Q101-I227 HydrophobicContact CB-CD1 4.13Å; L178-I227 HydrophobicContact CD2-CD1 4.35Å; L178-I227 HydrophobicContact CD2-CG1 3.86Å; R225-I227 PolarHBondContact O-N 2.88Å
228	N	97.9	Very high	91.7	Very high	22 Å²	22	57.8 Å²	57.8	12%	0.118	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	171	179.5	-92.3	-37.2	0	0	0	110.9	L40 M43 P44 A99 Y226	L40-N228 HydrophobicContact CD2-CB 3.71Å; L40-N228 HydrophobicContact CG-CB 3.95Å; M43-N228 HydrophobicContact CE-CB 3.79Å; P44-N228 PolarHBondContact O-ND2 2.86Å; A99-N228 PolarHBondContact N-O 3.45Å; A99-N228 PolarHBondContact O-N 3.17Å; Y226-N228 VanDerWaalsContact CE1-C 3.44Å; Y226-N228 VanDerWaalsContact CZ-C 3.41Å; Y226-N228 VanDerWaalsContact CZ-O 3.27Å; Y226-N228 VanDerWaalsContact OH-C 3.25Å; Y226-N228 PolarHBondContact OH-O 3.47Å
229	G	95.9	Very high	91	Very high	28 Å²	28	58.8 Å²	58.8	29%	0.289	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	157.3	167.9	0	0	0	0	0	111.7	L97 Y226	L97-G229 CarbonylContact O-C 3.58Å; L97-G229 WeakPolarHBondContact O-CA 3.41Å; Y226-G229 WeakPolarHBondContact OH-CA 3.35Å; Y226-G229 PolarHBondContact OH-N 3.29Å; Y226-G229 VanDerWaalsContact OH-N 3.13Å
230	L	93.9	Very high	90.4	Very high	12 Å²	12	57.6 Å²	57.6	6%	0.063	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	128.4	171.3	-66.5	171.4	0	0	0	109.3	R36 Q39 L40 M43 G96 L97 L235	R36-L230 VanDerWaalsContact O-CD1 3.32Å; R36-L230 WeakPolarHBondContact O-CD1 3.46Å; Q39-L230 HydrophobicContact CG-CD1 3.53Å; Q39-L230 HydrophobicContact CG-CD2 4.4Å; L40-L230 HydrophobicContact CB-CD1 3.66Å; L40-L230 HydrophobicContact CB-CG 4.17Å; L40-L230 HydrophobicContact CD1-CD1 4.25Å; L40-L230 HydrophobicContact CD1-CG 4.11Å; L40-L230 HydrophobicContact CG-CD1 4.25Å; L40-L230 HydrophobicContact CG-CG 4.23Å; M43-L230 HydrophobicContact CE-CD2 3.63Å; M43-L230 HydrophobicContact CE-CG 4.22Å; M43-L230 HydrophobicContact SD-CD2 3.83Å; G96-L230 CarbonylContact C-O 3.59Å; G96-L230 WeakPolarHBondContact CA-O 3.46Å; L97-L230 HydrophobicContact CB-CB 4.36Å; L97-L230 HydrophobicContact CD2-CD1 4.33Å; L97-L230 PolarHBondContact N-O 3.03Å; L97-L230 PolarHBondContact O-N 2.88Å; L230-L235 HydrophobicContact CD2-CD2 4.28Å
231	D	89	Confident	89.9	Confident	97 Å²	97	60.6 Å²	60.6	52%	0.519	33%	0.331	S	S	.	.			trans	-67.3	156.4	171.6	-74.6	-53.4	0	0	0	111.4	R36 E233	R36-D231 PolarHBondContact NH2-O 3.28Å; D231-E233 PolarHBondContact O-N 3.35Å
232	P	81.2	Confident	89.5	Confident	64 Å²	64	59.3 Å²	59.3	42%	0.416	32%	0.324	S	S	.	.	S	Bend	trans	-61.5	-16.6	175.7	17.4	-27.8	0	0	0	114.4	D184	D184-P232 WeakPolarHBondContact OD1-CB 3.34Å; D184-P232 WeakPolarHBondContact OD2-CA 3.4Å; D184-P232 WeakPolarHBondContact OD2-CB 3.42Å
233	E	77.6	Confident	88.8	Confident	151 Å²	151	61.1 Å²	61.1	71%	0.706	33%	0.331	S	S	*	.	S	Bend	trans	-68	149	-174.4	-68.3	-177.4	-175.4	0	0	112.3	D231 L235	D231-E233 PolarHBondContact O-N 3.35Å; E233-L235 PolarHBondContact O-N 3.47Å
234	P	73.8	Confident	88.2	Confident	127 Å²	127	64.5 Å²	64.5	83%	0.825	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-55.7	135.3	170.6	-19	30.2	0	0	0	109.7
235	L	71.3	Confident	87.8	Confident	45 Å²	45	67.1 Å²	67.1	24%	0.236	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-73.9	151.9	-177.5	-64.2	134.8	0	0	0	110.5	L230 E233 L237 D239 L240	L230-L235 HydrophobicContact CD2-CD2 4.28Å; E233-L235 PolarHBondContact O-N 3.47Å; L235-L237 PolarHBondContact O-N 2.74Å; L235-D239 HydrophobicContact CB-CB 4.49Å; L235-L240 HydrophobicContact CB-CD2 4.23Å; L235-L240 HydrophobicContact CB-CG 4.3Å; L235-L240 HydrophobicContact CD1-CD2 4Å
236	P	83.1	Confident	87.4	Confident	80 Å²	80	64.6 Å²	64.6	52%	0.519	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-51.4	136.6	169.4	-24	33	0	0	0	110.6	M238 D239 L240	P236-M238 PolarHBondContact O-N 2.74Å; P236-D239 WeakPolarHBondContact O-CB 3.41Å; P236-D239 PolarHBondContact O-N 2.89Å; P236-L240 PolarHBondContact O-N 3.14Å
237	L	86.1	Confident	86.7	Confident	127 Å²	127	68.3 Å²	68.3	67%	0.665	39%	0.39	S	S	*	.	H	α-helix	trans	-51.2	-36.8	177.8	178.6	60.8	0	0	0	111.7	L235 D239 L240 C241	L235-L237 PolarHBondContact O-N 2.74Å; L237-D239 VanDerWaalsContact C-N 3.27Å; L237-D239 PolarHBondContact O-N 3.04Å; L237-L240 PolarHBondContact O-N 3.13Å; L237-C241 WeakPolarHBondContact O-CB 3.36Å; L237-C241 PolarHBondContact O-N 3.07Å; L237-C241 PolarHBondContact O-SG 2.78Å
238	M	88.3	Confident	86.2	Confident	119 Å²	119	70.9 Å²	70.9	59%	0.586	42%	0.416	S	S	*	.	H	α-helix	trans	-56.2	-40.5	176.5	-64.9	-178.6	64.2	0	0	112.2	P236 C241 R242 Y269	P236-M238 PolarHBondContact O-N 2.74Å; M238-C241 PolarHBondContact O-N 2.94Å; M238-R242 WeakPolarHBondContact O-CB 3.36Å; M238-R242 PolarHBondContact O-N 3.17Å; M238-Y269 VanDerWaalsContact CB-OH 3.27Å; M238-Y269 WeakPolarHBondContact CB-OH 3.45Å; M238-Y269 HydrophobicContact CE-CE2 4.05Å; M238-Y269 WeakPolarHBondContact O-CE1 3.48Å; M238-Y269 PolarHBondContact O-OH 2.97Å
239	D	84.1	Confident	85.8	Confident	42 Å²	42	70.9 Å²	70.9	23%	0.225	42%	0.415	C	S	.	.	H	α-helix	trans	-71.5	-40.2	-179.5	-71.8	-26.9	0	0	0	111.3	L235 P236 L237 R242 R243 Y269	L235-D239 HydrophobicContact CB-CB 4.49Å; P236-D239 WeakPolarHBondContact O-CB 3.41Å; P236-D239 PolarHBondContact O-N 2.89Å; L237-D239 VanDerWaalsContact C-N 3.27Å; L237-D239 PolarHBondContact O-N 3.04Å; D239-R242 WeakPolarHBondContact O-CB 3.3Å; D239-R242 PolarHBondContact O-N 2.84Å; D239-R242 IonicContact OD1-CZ 3.38Å; D239-R242 IonicContact OD1-NE 3.77Å; D239-R242 IonicContact OD1-NH2 3.3Å; D239-R242 PolarHBondContact OD1-NH2 3.46Å; D239-R243 WeakPolarHBondContact O-CB 3.5Å; D239-R243 PolarHBondContact O-N 3.21Å; D239-Y269 WeakPolarHBondContact CA-OH 3.5Å; D239-Y269 PolarHBondContact N-OH 3.02Å; D239-Y269 PolarHBondContact OD1-OH 2.85Å; D239-Y269 VanDerWaalsContact OD1-OH 3.14Å
240	L	84.8	Confident	85.2	Confident	81 Å²	81	70.9 Å²	70.9	42%	0.424	42%	0.416	S	S	.	.	H	α-helix	trans	-61	-45.4	173.4	-61	177	0	0	0	111	L235 P236 L237 R243 S244	L235-L240 HydrophobicContact CB-CD2 4.23Å; L235-L240 HydrophobicContact CB-CG 4.3Å; L235-L240 HydrophobicContact CD1-CD2 4Å; P236-L240 PolarHBondContact O-N 3.14Å; L237-L240 PolarHBondContact O-N 3.13Å; L240-R243 PolarHBondContact O-N 2.87Å; L240-S244 WeakPolarHBondContact O-CB 3.38Å; L240-S244 PolarHBondContact O-N 2.94Å
241	C	89.4	Confident	84.6	Confident	63 Å²	63	79.8 Å²	79.8	43%	0.426	45%	0.448	S	S	.	.	H	α-helix	trans	-61.3	-46.9	175.5	-69.7	0	0	0	0	111.8	L237 M238 R243 S244 V245	L237-C241 WeakPolarHBondContact O-CB 3.36Å; L237-C241 PolarHBondContact O-N 3.07Å; L237-C241 PolarHBondContact O-SG 2.78Å; M238-C241 PolarHBondContact O-N 2.94Å; C241-R243 PolarHBondContact O-N 2.85Å; C241-S244 PolarHBondContact O-N 2.81Å; C241-V245 WeakPolarHBondContact O-CG2 3.44Å; C241-V245 PolarHBondContact O-N 2.89Å
242	R	90.2	Very high	84.4	Confident	32 Å²	32	83.3 Å²	83.3	12%	0.121	46%	0.462	C	S	.	.	H	α-helix	trans	-52.4	-47.4	176.2	-160.1	-163.8	-46	-141.2	15.2	110.9	M238 D239 V245 R246 Y269 L270	M238-R242 WeakPolarHBondContact O-CB 3.36Å; M238-R242 PolarHBondContact O-N 3.17Å; D239-R242 WeakPolarHBondContact O-CB 3.3Å; D239-R242 PolarHBondContact O-N 2.84Å; D239-R242 IonicContact OD1-CZ 3.38Å; D239-R242 IonicContact OD1-NE 3.77Å; D239-R242 IonicContact OD1-NH2 3.3Å; D239-R242 PolarHBondContact OD1-NH2 3.46Å; R242-V245 PolarHBondContact O-N 3.02Å; R242-R246 WeakPolarHBondContact O-CB 3.4Å; R242-R246 VanDerWaalsContact O-CG 3.26Å; R242-R246 WeakPolarHBondContact O-CG 3.27Å; R242-R246 PolarHBondContact O-N 3.43Å; R242-Y269 HydrophobicContact CB-CD1 4.39Å; R242-Y269 HydrophobicContact CB-CE1 3.57Å; R242-Y269 WeakPolarHBondContact CD-O 3.35Å; R242-Y269 HydrophobicContact CG-CD1 4.04Å; R242-Y269 HydrophobicContact CG-CE1 3.66Å; R242-Y269 PolarHBondContact NE-OH 2.99Å; R242-Y269 VanDerWaalsContact NE-OH 3.13Å; R242-Y269 PolarHBondContact NH1-O 2.71Å; R242-Y269 VanDerWaalsContact NH2-CZ 3.3Å; R242-Y269 PolarHBondContact NH2-OH 2.87Å; R242-Y269 VanDerWaalsContact NH2-OH 3.07Å; R242-L270 HydrophobicContact CB-CD2 4.46Å; R242-L270 HydrophobicContact CG-CD2 3.88Å
243	R	83.8	Confident	84.7	Confident	38 Å²	38	86.4 Å²	86.4	14%	0.143	47%	0.465	C	S	.	.	H	α-helix	trans	-67.8	-46.6	-177.3	-151.1	-169	-45.6	-68.8	-10.2	111.6	Q39 D239 L240 C241 V245 R246 S247	Q39-R243 PolarHBondContact O-NH1 3.01Å; D239-R243 WeakPolarHBondContact O-CB 3.5Å; D239-R243 PolarHBondContact O-N 3.21Å; L240-R243 PolarHBondContact O-N 2.87Å; C241-R243 PolarHBondContact O-N 2.85Å; R243-V245 VanDerWaalsContact C-N 3.28Å; R243-V245 PolarHBondContact O-N 3.18Å; R243-R246 PolarHBondContact O-N 3.11Å; R243-S247 WeakPolarHBondContact O-CB 3.26Å; R243-S247 PolarHBondContact O-N 2.92Å
244	S	87.8	Confident	85.1	Confident	84 Å²	84	81.1 Å²	81.1	59%	0.587	44%	0.441	S	S	*	.	H	α-helix	trans	-56.8	-43.3	176.5	-169.4	0	0	0	0	111.5	L240 C241 A248	L240-S244 WeakPolarHBondContact O-CB 3.38Å; L240-S244 PolarHBondContact O-N 2.94Å; C241-S244 PolarHBondContact O-N 2.81Å; S244-A248 WeakPolarHBondContact O-CB 3.48Å; S244-A248 PolarHBondContact O-N 2.93Å
245	V	89.7	Confident	85.6	Confident	59 Å²	59	85.6 Å²	85.6	36%	0.358	44%	0.442	S	S	.	.	H	α-helix	trans	-66	-48	177	173.5	0	0	0	0	111.3	C241 R242 R243 S247 A248 L249 L270	C241-V245 WeakPolarHBondContact O-CG2 3.44Å; C241-V245 PolarHBondContact O-N 2.89Å; R242-V245 PolarHBondContact O-N 3.02Å; R243-V245 VanDerWaalsContact C-N 3.28Å; R243-V245 PolarHBondContact O-N 3.18Å; V245-S247 VanDerWaalsContact C-N 3.32Å; V245-S247 PolarHBondContact O-N 3.41Å; V245-A248 PolarHBondContact O-N 3.32Å; V245-L249 HydrophobicContact CG1-CD1 4.04Å; V245-L249 HydrophobicContact CG1-CG 4.49Å; V245-L249 WeakPolarHBondContact O-CG 3.35Å; V245-L249 PolarHBondContact O-N 3.03Å; V245-L270 HydrophobicContact CB-CD2 3.86Å; V245-L270 HydrophobicContact CG1-CD1 3.92Å; V245-L270 HydrophobicContact CG1-CD2 3.76Å
246	R	89.6	Confident	86.5	Confident	40 Å²	40	87.3 Å²	87.3	15%	0.151	45%	0.451	C	S	.	.	H	α-helix	trans	-62	-39	178.9	-72.4	173.6	65.3	84.7	-1	112.4	R242 R243 L249 G250 L254 L270	R242-R246 WeakPolarHBondContact O-CB 3.4Å; R242-R246 VanDerWaalsContact O-CG 3.26Å; R242-R246 WeakPolarHBondContact O-CG 3.27Å; R242-R246 PolarHBondContact O-N 3.43Å; R243-R246 PolarHBondContact O-N 3.11Å; R246-L249 PolarHBondContact O-N 3.29Å; R246-G250 PolarHBondContact O-N 3.18Å; R246-L254 HydrophobicContact CB-CD2 3.88Å; R246-L254 HydrophobicContact CG-CD2 3.87Å; R246-L270 WeakPolarHBondContact CD-O 3.18Å; R246-L270 PolarHBondContact NH1-O 2.69Å
247	S	85.4	Confident	86.9	Confident	94 Å²	94	83.6 Å²	83.6	66%	0.657	43%	0.427	S	S	*	.	H	α-helix	trans	-64.8	-43.9	175	-172.1	0	0	0	0	111.5	R243 V245 L249 G250	R243-S247 WeakPolarHBondContact O-CB 3.26Å; R243-S247 PolarHBondContact O-N 2.92Å; V245-S247 VanDerWaalsContact C-N 3.32Å; V245-S247 PolarHBondContact O-N 3.41Å; S247-L249 VanDerWaalsContact C-N 3.32Å; S247-L249 PolarHBondContact O-N 3.14Å; S247-G250 PolarHBondContact O-N 3.09Å
248	A	87.7	Confident	87	Confident	84 Å²	84	81.1 Å²	81.1	69%	0.694	42%	0.42	S	S	*	.	H	α-helix	trans	-66.2	-33	177.8	0	0	0	0	0	112.8	S244 V245	S244-A248 WeakPolarHBondContact O-CB 3.48Å; S244-A248 PolarHBondContact O-N 2.93Å; V245-A248 PolarHBondContact O-N 3.32Å
249	L	88.3	Confident	87.2	Confident	21 Å²	21	79.8 Å²	79.8	11%	0.11	42%	0.423	C	S	.	.	H	α-helix	trans	-69.5	-37.2	172.9	-71	169.2	0	0	0	111.8	V245 R246 S247 R253 L254 I257 L260	V245-L249 HydrophobicContact CG1-CD1 4.04Å; V245-L249 HydrophobicContact CG1-CG 4.49Å; V245-L249 WeakPolarHBondContact O-CG 3.35Å; V245-L249 PolarHBondContact O-N 3.03Å; R246-L249 PolarHBondContact O-N 3.29Å; S247-L249 VanDerWaalsContact C-N 3.32Å; S247-L249 PolarHBondContact O-N 3.14Å; L249-R253 HydrophobicContact CB-CB 4.37Å; L249-R253 WeakPolarHBondContact O-CB 3.28Å; L249-L254 HydrophobicContact CB-CD2 4.46Å; L249-I257 HydrophobicContact CD1-CD1 4.35Å; L249-I257 HydrophobicContact CD1-CG1 3.82Å; L249-L260 HydrophobicContact CD1-CD1 4.12Å; L249-L260 HydrophobicContact CD2-CD1 4.46Å; L249-L260 HydrophobicContact CD2-CD2 4.3Å
250	G	84.1	Confident	87.5	Confident	29 Å²	29	79.4 Å²	79.4	30%	0.299	42%	0.42	S	S	.	.	H	α-helix	trans	73.2	158.4	-171.4	0	0	0	0	0	112.5	R246 S247 Q252 R253 L254	R246-G250 PolarHBondContact O-N 3.18Å; S247-G250 PolarHBondContact O-N 3.09Å; G250-Q252 VanDerWaalsContact C-N 3.26Å; G250-Q252 PolarHBondContact O-N 3.22Å; G250-Q252 VanDerWaalsContact O-N 3.14Å; G250-R253 PolarHBondContact O-N 3.25Å; G250-R253 VanDerWaalsContact O-N 3.16Å; G250-L254 PolarHBondContact O-N 3.28Å
251	R	80.9	Confident	88	Confident	199 Å²	199	81.8 Å²	81.8	75%	0.751	44%	0.441	S	S	*	.	H	α-helix	trans	-55.4	-36.7	-171.8	-71.6	-175.9	176.8	174.4	-0.4	114.3	R253 L254	R251-R253 VanDerWaalsContact C-N 3.33Å; R251-R253 PolarHBondContact O-N 2.99Å; R251-L254 PolarHBondContact O-N 3.13Å
252	Q	85.4	Confident	88.2	Confident	170 Å²	170	81.8 Å²	81.8	79%	0.794	44%	0.436	S	S	*	.	H	α-helix	trans	-64.6	-37.1	-176.9	-62	-60.6	-20.3	0	0	112.4	G250	G250-Q252 VanDerWaalsContact C-N 3.26Å; G250-Q252 PolarHBondContact O-N 3.22Å; G250-Q252 VanDerWaalsContact O-N 3.14Å
253	R	86.8	Confident	88.4	Confident	130 Å²	130	84 Å²	84	49%	0.491	46%	0.455	S	S	.	.	H	α-helix	trans	-95	2	-174.3	-63.9	176.3	53.1	-162.2	-5.8	113.9	L249 G250 R251 R255 D256	L249-R253 HydrophobicContact CB-CB 4.37Å; L249-R253 WeakPolarHBondContact O-CB 3.28Å; G250-R253 PolarHBondContact O-N 3.25Å; G250-R253 VanDerWaalsContact O-N 3.16Å; R251-R253 VanDerWaalsContact C-N 3.33Å; R251-R253 PolarHBondContact O-N 2.99Å; R253-R255 PolarHBondContact O-N 3.02Å; R253-D256 PolarHBondContact O-N 2.93Å
254	L	86	Confident	88.9	Confident	39 Å²	39	87.6 Å²	87.6	20%	0.204	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-62.4	-27.5	175.5	-67.7	177	0	0	0	112	R246 L249 G250 R251 D256 I257	R246-L254 HydrophobicContact CB-CD2 3.88Å; R246-L254 HydrophobicContact CG-CD2 3.87Å; L249-L254 HydrophobicContact CB-CD2 4.46Å; G250-L254 PolarHBondContact O-N 3.28Å; R251-L254 PolarHBondContact O-N 3.13Å; L254-D256 PolarHBondContact O-N 2.79Å; L254-I257 HydrophobicContact CB-CD1 4.41Å; L254-I257 HydrophobicContact CD2-CD1 4.02Å; L254-I257 VanDerWaalsContact O-CD1 3.24Å; L254-I257 WeakPolarHBondContact O-CD1 3.44Å; L254-I257 VanDerWaalsContact O-CG1 3.24Å; L254-I257 WeakPolarHBondContact O-CG1 3.36Å
255	R	85.4	Confident	89.1	Confident	221 Å²	221	87.6 Å²	87.6	83%	0.834	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-68.2	-25.2	174.8	-63.1	-177.4	176.4	-173.7	-1.4	112.4	R253 I257	R253-R255 PolarHBondContact O-N 3.02Å; R255-I257 VanDerWaalsContact C-N 3.33Å; R255-I257 PolarHBondContact O-N 2.92Å
256	D	89.8	Confident	89.2	Confident	82 Å²	82	88.7 Å²	88.7	44%	0.439	48%	0.477	S	S	.	.	G	3₁₀ helix	trans	-91.1	6.3	-175.8	-51.5	-37.5	0	0	0	112.8	R253 L254 S258 S259	R253-D256 PolarHBondContact O-N 2.93Å; L254-D256 PolarHBondContact O-N 2.79Å; D256-S258 PolarHBondContact O-N 3.07Å; D256-S258 VanDerWaalsContact O-N 3.1Å; D256-S259 WeakPolarHBondContact O-CB 3.5Å; D256-S259 PolarHBondContact O-N 3.14Å; D256-S259 PolarHBondContact O-OG 2.85Å
257	I	91.1	Very high	89.4	Confident	1 Å²	1	88.1 Å²	88.1	1%	0.005	48%	0.476	C	S	.	.	G	3₁₀ helix	trans	-55	-31.8	178.7	-71.4	167.6	0	0	0	111.5	L249 L254 R255 S259 L260 K267 L270 Q271	L249-I257 HydrophobicContact CD1-CD1 4.35Å; L249-I257 HydrophobicContact CD1-CG1 3.82Å; L254-I257 HydrophobicContact CB-CD1 4.41Å; L254-I257 HydrophobicContact CD2-CD1 4.02Å; L254-I257 VanDerWaalsContact O-CD1 3.24Å; L254-I257 WeakPolarHBondContact O-CD1 3.44Å; L254-I257 VanDerWaalsContact O-CG1 3.24Å; L254-I257 WeakPolarHBondContact O-CG1 3.36Å; R255-I257 VanDerWaalsContact C-N 3.33Å; R255-I257 PolarHBondContact O-N 2.92Å; I257-S259 PolarHBondContact O-N 3.41Å; I257-L260 HydrophobicContact CB-CD1 4.4Å; I257-L260 HydrophobicContact CG1-CD1 4.36Å; I257-L260 HydrophobicContact CG2-CD1 4.28Å; I257-L260 WeakPolarHBondContact O-CB 3.41Å; I257-L260 PolarHBondContact O-N 3.11Å; I257-K267 HydrophobicContact CG2-CB 4.21Å; I257-K267 HydrophobicContact CG2-CG 4.41Å; I257-L270 HydrophobicContact CD1-CB 4.17Å; I257-L270 HydrophobicContact CG2-CB 4.02Å; I257-L270 HydrophobicContact CG2-CD1 4.25Å; I257-Q271 HydrophobicContact CB-CG 4.09Å; I257-Q271 HydrophobicContact CD1-CG 3.99Å; I257-Q271 HydrophobicContact CG2-CG 3.85Å
258	S	89	Confident	89.7	Confident	75 Å²	75	85.9 Å²	85.9	52%	0.524	46%	0.456	S	S	.	.	G	3₁₀ helix	trans	-61.7	-26.8	176	54.7	0	0	0	0	113.5	D256 K267	D256-S258 PolarHBondContact O-N 3.07Å; D256-S258 VanDerWaalsContact O-N 3.1Å; S258-K267 VanDerWaalsContact O-CE 3.29Å; S258-K267 WeakPolarHBondContact O-CE 3.49Å; S258-K267 PolarHBondContact O-NZ 2.98Å
259	S	91.1	Very high	89.8	Confident	92 Å²	92	84.1 Å²	84.1	64%	0.643	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-85.1	-10.3	179.1	72.5	0	0	0	0	114.1	D256 I257	D256-S259 WeakPolarHBondContact O-CB 3.5Å; D256-S259 PolarHBondContact O-N 3.14Å; D256-S259 PolarHBondContact O-OG 2.85Å; I257-S259 PolarHBondContact O-N 3.41Å
260	L	91.6	Very high	89.9	Confident	33 Å²	33	83.6 Å²	83.6	17%	0.173	43%	0.429	C	S	.	.	S	Bend	trans	-63.8	145.8	179.6	-65.2	174.8	0	0	0	111.1	L249 I257 L262 K267 L270	L249-L260 HydrophobicContact CD1-CD1 4.12Å; L249-L260 HydrophobicContact CD2-CD1 4.46Å; L249-L260 HydrophobicContact CD2-CD2 4.3Å; I257-L260 HydrophobicContact CB-CD1 4.4Å; I257-L260 HydrophobicContact CG1-CD1 4.36Å; I257-L260 HydrophobicContact CG2-CD1 4.28Å; I257-L260 WeakPolarHBondContact O-CB 3.41Å; I257-L260 PolarHBondContact O-N 3.11Å; L260-L262 HydrophobicContact CB-CB 4.45Å; L260-L262 HydrophobicContact CB-CD1 4.01Å; L260-L262 HydrophobicContact CB-CG 4.02Å; L260-L262 HydrophobicContact CD1-CD1 3.94Å; L260-L262 PolarHBondContact O-N 3.05Å; L260-K267 WeakPolarHBondContact O-CE 3.3Å; L260-K267 PolarHBondContact O-NZ 2.94Å; L260-L270 HydrophobicContact CD1-CD1 4.42Å
261	P	94.1	Very high	90.2	Very high	132 Å²	132	84.6 Å²	84.6	86%	0.857	43%	0.426	S	S	*	.	S	Bend	trans	-76.6	54.9	175.8	34.1	-36.7	0	0	0	111
262	L	93.7	Very high	90.4	Very high	63 Å²	63	78.3 Å²	78.3	33%	0.33	40%	0.403	S	S	.	.	S	Bend	trans	-120.3	150.2	-178.3	-63.3	176.1	0	0	0	110.6	L260 L266 K267 L270	L260-L262 HydrophobicContact CB-CB 4.45Å; L260-L262 HydrophobicContact CB-CD1 4.01Å; L260-L262 HydrophobicContact CB-CG 4.02Å; L260-L262 HydrophobicContact CD1-CD1 3.94Å; L260-L262 PolarHBondContact O-N 3.05Å; L262-L266 HydrophobicContact CB-CB 4.45Å; L262-K267 HydrophobicContact CB-CG 4.22Å; L262-K267 WeakPolarHBondContact O-CE 3.39Å; L262-K267 PolarHBondContact O-NZ 3.39Å; L262-L270 HydrophobicContact CD1-CD1 3.8Å
263	P	96	Very high	90.2	Very high	79 Å²	79	78.7 Å²	78.7	51%	0.513	40%	0.404	S	S	.	.			trans	-52.6	147.4	167.9	-26.3	33.4	0	0	0	112.9	S265 L266 K267	P263-S265 VanDerWaalsContact C-N 3.26Å; P263-S265 PolarHBondContact O-N 2.88Å; P263-L266 HydrophobicContact CG-CD1 4.44Å; P263-L266 PolarHBondContact O-N 2.88Å; P263-K267 PolarHBondContact O-N 3.2Å; P263-K267 VanDerWaalsContact O-N 3.09Å
264	Q	92.9	Very high	90.4	Very high	112 Å²	112	76.1 Å²	76.1	52%	0.523	40%	0.4	S	S	.	.	H	α-helix	trans	-58.6	-36.8	-177.3	-169.4	60.8	39.8	0	0	112.8	L266 K267 N268	Q264-L266 VanDerWaalsContact C-N 3.32Å; Q264-L266 PolarHBondContact O-N 2.69Å; Q264-K267 WeakPolarHBondContact O-CB 3.25Å; Q264-K267 PolarHBondContact O-N 3.05Å; Q264-N268 PolarHBondContact NE2-OD1 2.74Å; Q264-N268 VanDerWaalsContact O-CG 3.27Å; Q264-N268 PolarHBondContact O-N 2.86Å; Q264-N268 PolarHBondContact O-OD1 3.46Å
265	S	92.8	Very high	90.6	Very high	85 Å²	85	78.1 Å²	78.1	59%	0.594	41%	0.41	S	S	*	.	H	α-helix	trans	-59.2	-40.8	175.6	51.7	0	0	0	0	112.7	P263 Y269	P263-S265 VanDerWaalsContact C-N 3.26Å; P263-S265 PolarHBondContact O-N 2.88Å; S265-Y269 VanDerWaalsContact O-CB 3.26Å; S265-Y269 WeakPolarHBondContact O-CB 3.45Å; S265-Y269 PolarHBondContact O-N 3.46Å
266	L	92.3	Very high	90.9	Very high	81 Å²	81	70.1 Å²	70.1	42%	0.424	39%	0.387	S	S	.	.	H	α-helix	trans	-72.4	-34.9	176.3	-66.9	-175.3	0	0	0	111.9	L262 P263 Q264 Y269 L270	L262-L266 HydrophobicContact CB-CB 4.45Å; P263-L266 HydrophobicContact CG-CD1 4.44Å; P263-L266 PolarHBondContact O-N 2.88Å; Q264-L266 VanDerWaalsContact C-N 3.32Å; Q264-L266 PolarHBondContact O-N 2.69Å; L266-Y269 PolarHBondContact O-N 3.22Å; L266-L270 WeakPolarHBondContact O-CB 3.47Å; L266-L270 VanDerWaalsContact O-CG 3.23Å; L266-L270 WeakPolarHBondContact O-CG 3.26Å; L266-L270 PolarHBondContact O-N 3.22Å
267	K	93.2	Very high	90.9	Very high	29 Å²	29	69.4 Å²	69.4	13%	0.126	38%	0.384	C	S	.	.	H	α-helix	trans	-61.5	-49.4	173.6	-68.2	174.4	171.2	175.3	0	111.2	I257 S258 L260 L262 P263 Q264 Y269 L270 Q271	I257-K267 HydrophobicContact CG2-CB 4.21Å; I257-K267 HydrophobicContact CG2-CG 4.41Å; S258-K267 VanDerWaalsContact O-CE 3.29Å; S258-K267 WeakPolarHBondContact O-CE 3.49Å; S258-K267 PolarHBondContact O-NZ 2.98Å; L260-K267 WeakPolarHBondContact O-CE 3.3Å; L260-K267 PolarHBondContact O-NZ 2.94Å; L262-K267 HydrophobicContact CB-CG 4.22Å; L262-K267 WeakPolarHBondContact O-CE 3.39Å; L262-K267 PolarHBondContact O-NZ 3.39Å; P263-K267 PolarHBondContact O-N 3.2Å; P263-K267 VanDerWaalsContact O-N 3.09Å; Q264-K267 WeakPolarHBondContact O-CB 3.25Å; Q264-K267 PolarHBondContact O-N 3.05Å; K267-Y269 VanDerWaalsContact C-N 3.34Å; K267-Y269 PolarHBondContact O-N 3.04Å; K267-L270 PolarHBondContact O-N 2.95Å; K267-Q271 WeakPolarHBondContact O-CG 3.31Å; K267-Q271 PolarHBondContact O-N 2.78Å
268	N	90.9	Very high	90.9	Very high	47 Å²	47	73.7 Å²	73.7	25%	0.251	41%	0.408	S	S	.	.	H	α-helix	trans	-59.4	-47.4	176.9	-68.5	7.9	0	0	0	110.6	Q264 L270 Q271 Y272 Q273	Q264-N268 PolarHBondContact NE2-OD1 2.74Å; Q264-N268 VanDerWaalsContact O-CG 3.27Å; Q264-N268 PolarHBondContact O-N 2.86Å; Q264-N268 PolarHBondContact O-OD1 3.46Å; N268-L270 VanDerWaalsContact C-N 3.34Å; N268-L270 PolarHBondContact O-N 3.22Å; N268-Q271 CarbonylContact O-C 3.53Å; N268-Q271 WeakPolarHBondContact O-CA 3.46Å; N268-Q271 PolarHBondContact O-N 3.34Å; N268-Y272 PolarHBondContact O-N 3.27Å; N268-Q273 CarbonylContact C-O 3.41Å; N268-Q273 HydrophobicContact CB-CB 4.11Å; N268-Q273 WeakPolarHBondContact CB-O 3.47Å; N268-Q273 PolarHBondContact O-N 3.25Å
269	Y	90.9	Very high	91.1	Very high	47 Å²	47	73.6 Å²	73.6	18%	0.184	40%	0.4	C	S	.	.	H	α-helix	trans	-55.8	-44.6	176.2	178.7	-103.3	0	0	0	113.2	M238 D239 R242 S265 L266 K267 Q271 Y272	M238-Y269 VanDerWaalsContact CB-OH 3.27Å; M238-Y269 WeakPolarHBondContact CB-OH 3.45Å; M238-Y269 HydrophobicContact CE-CE2 4.05Å; M238-Y269 WeakPolarHBondContact O-CE1 3.48Å; M238-Y269 PolarHBondContact O-OH 2.97Å; D239-Y269 WeakPolarHBondContact CA-OH 3.5Å; D239-Y269 PolarHBondContact N-OH 3.02Å; D239-Y269 PolarHBondContact OD1-OH 2.85Å; D239-Y269 VanDerWaalsContact OD1-OH 3.14Å; R242-Y269 HydrophobicContact CB-CD1 4.39Å; R242-Y269 HydrophobicContact CB-CE1 3.57Å; R242-Y269 WeakPolarHBondContact CD-O 3.35Å; R242-Y269 HydrophobicContact CG-CD1 4.04Å; R242-Y269 HydrophobicContact CG-CE1 3.66Å; R242-Y269 PolarHBondContact NE-OH 2.99Å; R242-Y269 VanDerWaalsContact NE-OH 3.13Å; R242-Y269 PolarHBondContact NH1-O 2.71Å; R242-Y269 VanDerWaalsContact NH2-CZ 3.3Å; R242-Y269 PolarHBondContact NH2-OH 2.87Å; R242-Y269 VanDerWaalsContact NH2-OH 3.07Å; S265-Y269 VanDerWaalsContact O-CB 3.26Å; S265-Y269 WeakPolarHBondContact O-CB 3.45Å; S265-Y269 PolarHBondContact O-N 3.46Å; L266-Y269 PolarHBondContact O-N 3.22Å; K267-Y269 VanDerWaalsContact C-N 3.34Å; K267-Y269 PolarHBondContact O-N 3.04Å; Y269-Q271 VanDerWaalsContact C-N 3.26Å; Y269-Q271 PolarHBondContact O-N 2.89Å; Y269-Y272 PolarHBondContact O-N 2.8Å
270	L	91.1	Very high	91.1	Very high	10 Å²	10	72.3 Å²	72.3	5%	0.052	38%	0.382	C	S	.	.	H	α-helix	trans	-67	-25.3	175.5	-70.6	172.9	0	0	0	113	R242 V245 R246 I257 L260 L262 L266 K267 N268	R242-L270 HydrophobicContact CB-CD2 4.46Å; R242-L270 HydrophobicContact CG-CD2 3.88Å; V245-L270 HydrophobicContact CB-CD2 3.86Å; V245-L270 HydrophobicContact CG1-CD1 3.92Å; V245-L270 HydrophobicContact CG1-CD2 3.76Å; R246-L270 WeakPolarHBondContact CD-O 3.18Å; R246-L270 PolarHBondContact NH1-O 2.69Å; I257-L270 HydrophobicContact CD1-CB 4.17Å; I257-L270 HydrophobicContact CG2-CB 4.02Å; I257-L270 HydrophobicContact CG2-CD1 4.25Å; L260-L270 HydrophobicContact CD1-CD1 4.42Å; L262-L270 HydrophobicContact CD1-CD1 3.8Å; L266-L270 WeakPolarHBondContact O-CB 3.47Å; L266-L270 VanDerWaalsContact O-CG 3.23Å; L266-L270 WeakPolarHBondContact O-CG 3.26Å; L266-L270 PolarHBondContact O-N 3.22Å; K267-L270 PolarHBondContact O-N 2.95Å; N268-L270 VanDerWaalsContact C-N 3.34Å; N268-L270 PolarHBondContact O-N 3.22Å
271	Q	88.8	Confident	91	Very high	50 Å²	50	75.3 Å²	75.3	23%	0.234	40%	0.398	C	S	.	.	H	α-helix	trans	-93.2	-4.3	178.8	-70.8	178	-12	0	0	114	I257 K267 N268 Y269 Q273	I257-Q271 HydrophobicContact CB-CG 4.09Å; I257-Q271 HydrophobicContact CD1-CG 3.99Å; I257-Q271 HydrophobicContact CG2-CG 3.85Å; K267-Q271 WeakPolarHBondContact O-CG 3.31Å; K267-Q271 PolarHBondContact O-N 2.78Å; N268-Q271 CarbonylContact O-C 3.53Å; N268-Q271 WeakPolarHBondContact O-CA 3.46Å; N268-Q271 PolarHBondContact O-N 3.34Å; Y269-Q271 VanDerWaalsContact C-N 3.26Å; Y269-Q271 PolarHBondContact O-N 2.89Å; Q271-Q273 VanDerWaalsContact C-N 3.31Å; Q271-Q273 HydrophobicContact CB-CG 3.98Å
272	Y	85.4	Confident	90.8	Very high	67 Å²	67	70.6 Å²	70.6	26%	0.263	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.6	39.4	-168.9	-57.7	-85.5	0	0	0	113.2	D42 P44 N268 Y269	D42-Y272 WeakPolarHBondContact O-CE2 3.2Å; D42-Y272 PolarHBondContact O-OH 3.45Å; P44-Y272 HydrophobicContact CG-CD1 3.81Å; P44-Y272 HydrophobicContact CG-CD2 3.83Å; P44-Y272 HydrophobicContact CG-CE1 4.4Å; P44-Y272 HydrophobicContact CG-CE2 4.4Å; P44-Y272 HydrophobicContact CG-CG 3.49Å; P44-Y272 VanDerWaalsContact CG-CG 3.49Å; N268-Y272 PolarHBondContact O-N 3.27Å; Y269-Y272 PolarHBondContact O-N 2.8Å
273	Q	81.3	Confident	90.5	Very high	177 Å²	177	71.3 Å²	71.3	83%	0.827	36%	0.363	S	S	*	.			trans	-109.6	0	174.6	-64.4	-177.4	-2.7	0	0	111.6	N268 Q271	N268-Q273 CarbonylContact C-O 3.41Å; N268-Q273 HydrophobicContact CB-CB 4.11Å; N268-Q273 WeakPolarHBondContact CB-O 3.47Å; N268-Q273 PolarHBondContact O-N 3.25Å; Q271-Q273 VanDerWaalsContact C-N 3.31Å; Q271-Q273 HydrophobicContact CB-CG 3.98Å

Retrieved 273 of 273 residues in 57.9 ms (Link to these results)

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