A0A077Z6M9_TRITR Loading...

Fasciclin domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z6M9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 666 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	31.4	Very low	36.9	Very low	227 Å²	227	159 Å²	159	100%	1.118	83%	0.833	S	S	*	*				0	126.7	0	-92.6	171.5	80	0	0	108
2	W	36.9	Very low	36.5	Very low	239 Å²	239	154.1 Å²	154.1	91%	0.905	81%	0.814	S	S	*	*			trans	88.2	140.4	168.9	-72.5	50.6	0	0	0	120.2
3	S	37.1	Very low	36.4	Very low	101 Å²	101	159 Å²	159	71%	0.706	82%	0.815	S	S	*	*			trans	73.3	93	169.6	69	0	0	0	0	117.7
4	F	38.7	Very low	36.1	Very low	207 Å²	207	159.4 Å²	159.4	91%	0.908	81%	0.811	S	S	*	*			trans	-170.6	75.2	131.7	-93.1	-69.9	0	0	0	107.3
5	W	41	Very low	36.5	Very low	255 Å²	255	161.2 Å²	161.2	97%	0.966	81%	0.811	S	S	*	*			trans	-104.5	111	165.6	-90.4	66.9	0	0	0	107.6	L7	W5-L7 PolarHBondContact O-N 3.43Å
6	A	40.8	Very low	37	Very low	87 Å²	87	157.5 Å²	157.5	72%	0.719	80%	0.804	S	S	*	*			trans	-63.8	124.6	179.3	0	0	0	0	0	110.4	T8	A6-T8 PolarHBondContact O-N 3.05Å
7	L	35.7	Very low	38.1	Very low	178 Å²	178	156.4 Å²	156.4	93%	0.932	80%	0.799	S	S	*	*			trans	-64.6	91.3	163.7	-80.7	133.5	0	0	0	109.2	W5 S9	W5-L7 PolarHBondContact O-N 3.43Å; L7-S9 PolarHBondContact O-N 3.44Å
8	T	38.7	Very low	40	Very low	119 Å²	119	148.4 Å²	148.4	73%	0.73	76%	0.761	S	S	*	*			trans	-82.8	97.5	154.6	48.6	0	0	0	0	107.2	A6 I10	A6-T8 PolarHBondContact O-N 3.05Å; T8-I10 PolarHBondContact O-N 2.89Å
9	S	36.1	Very low	42.3	Very low	110 Å²	110	141.9 Å²	141.9	77%	0.769	73%	0.728	S	S	*	*			trans	-54	100.2	168.4	52.3	0	0	0	0	109.6	L7 A11	L7-S9 PolarHBondContact O-N 3.44Å; S9-A11 VanDerWaalsContact C-N 3.34Å; S9-A11 PolarHBondContact O-N 3.44Å
10	I	35.8	Very low	44.5	Very low	147 Å²	147	134.9 Å²	134.9	75%	0.754	69%	0.692	S	S	*	*			trans	-65.6	101.8	163.5	-64.4	168.7	0	0	0	105	T8 V12	T8-I10 PolarHBondContact O-N 2.89Å; I10-V12 HydrophobicContact CG2-CG2 4.08Å; I10-V12 PolarHBondContact O-N 3.4Å
11	A	33.3	Very low	46.6	Very low	79 Å²	79	129.3 Å²	129.3	65%	0.653	66%	0.663	S	S	*	*			trans	-64.1	84.9	167.2	0	0	0	0	0	107.5	S9 W13	S9-A11 VanDerWaalsContact C-N 3.34Å; S9-A11 PolarHBondContact O-N 3.44Å; A11-W13 VanDerWaalsContact C-N 3.27Å; A11-W13 PolarHBondContact O-N 3.26Å
12	V	32.7	Very low	49.4	Very low	100 Å²	100	121.1 Å²	121.1	61%	0.606	63%	0.626	S	S	*	*			trans	-61.6	100.1	161.5	177.8	0	0	0	0	104.8	I10 H14	I10-V12 HydrophobicContact CG2-CG2 4.08Å; I10-V12 PolarHBondContact O-N 3.4Å; V12-H14 PolarHBondContact O-N 3.15Å; V12-H14 PolarHBondContact O-ND1 3Å; V12-H14 VanDerWaalsContact O-ND1 3.12Å
13	W	35.2	Very low	51.8	Low	218 Å²	218	112 Å²	112	83%	0.826	59%	0.593	S	S	*	*			trans	-53.3	93.8	166.8	-83.9	47.5	0	0	0	107	A11 F15	A11-W13 VanDerWaalsContact C-N 3.27Å; A11-W13 PolarHBondContact O-N 3.26Å; W13-F15 PolarHBondContact O-N 2.86Å
14	H	32.4	Very low	54.3	Low	165 Å²	165	107.2 Å²	107.2	76%	0.764	56%	0.56	S	S	*	*			trans	-62.2	100	161	-77.7	61.3	0	0	0	104.1	V12 C16	V12-H14 PolarHBondContact O-N 3.15Å; V12-H14 PolarHBondContact O-ND1 3Å; V12-H14 VanDerWaalsContact O-ND1 3.12Å; H14-C16 PolarHBondContact O-N 2.98Å
15	F	42.3	Very low	56.6	Low	186 Å²	186	100.3 Å²	100.3	82%	0.816	53%	0.532	S	S	*	.			trans	-56.1	90.7	153.6	-90.8	-89.7	0	0	0	105	W13 L17	W13-F15 PolarHBondContact O-N 2.86Å; F15-L17 PolarHBondContact O-N 3.37Å
16	C	44.4	Very low	58.9	Low	102 Å²	102	95.1 Å²	95.1	69%	0.689	51%	0.513	S	S	*	.			trans	-54.9	115.4	172.4	-160.2	0	0	0	0	104.6	H14 A18	H14-C16 PolarHBondContact O-N 2.98Å; C16-A18 PolarHBondContact O-N 3.41Å
17	L	55.2	Low	61.1	Low	138 Å²	138	91.9 Å²	91.9	72%	0.723	48%	0.483	S	S	*	.			trans	-63.8	74.5	177.4	-73.5	164.5	0	0	0	108	F15 Q145	F15-L17 PolarHBondContact O-N 3.37Å; L17-Q145 HydrophobicContact CD2-CG 4.11Å
18	A	72.3	Confident	63.7	Low	13 Å²	13	89.2 Å²	89.2	11%	0.107	47%	0.47	C	S	.	.			trans	-77	125.8	179.1	0	0	0	0	0	107.7	C16 T22 S144	C16-A18 PolarHBondContact O-N 3.41Å; A18-T22 HydrophobicContact CB-CG2 3.89Å; A18-S144 PolarHBondContact O-OG 2.64Å
19	D	83.7	Confident	66.1	Low	25 Å²	25	87.5 Å²	87.5	13%	0.134	46%	0.456	C	S	.	.			trans	-63.5	166	168.3	62.9	-73.8	0	0	0	111	L21 T22 E23	D19-L21 PolarHBondContact O-N 2.92Å; D19-L21 WeakPolarHBondContact OD2-CA 3.4Å; D19-L21 WeakPolarHBondContact OD2-CB 3.48Å; D19-L21 PolarHBondContact OD2-N 3.16Å; D19-L21 VanDerWaalsContact OD2-N 3.08Å; D19-T22 PolarHBondContact O-N 2.75Å; D19-T22 WeakPolarHBondContact OD1-CB 3.44Å; D19-T22 PolarHBondContact OD1-OG1 2.81Å; D19-T22 PolarHBondContact OD2-N 3.33Å; D19-E23 PolarHBondContact O-N 2.84Å
20	L	87.2	Confident	68.8	Low	1 Å²	1	82.3 Å²	82.3	1%	0.005	42%	0.42	C	S	.	.	H	α-helix	trans	-69	-23.3	-174.7	-169.2	65.1	0	0	0	112.7	E23 L24 L47 V56 Q147 L149	L20-E23 PolarHBondContact O-N 3.45Å; L20-L24 WeakPolarHBondContact O-CB 3.37Å; L20-L24 PolarHBondContact O-N 3.37Å; L20-L47 HydrophobicContact CB-CD2 4.34Å; L20-L47 HydrophobicContact CD2-CD2 3.66Å; L20-L47 HydrophobicContact CG-CD2 4.16Å; L20-L47 PolarHBondContact N-O 3.21Å; L20-V56 HydrophobicContact CD2-CB 4.42Å; L20-V56 HydrophobicContact CD2-CG2 4Å; L20-Q147 HydrophobicContact CB-CB 4.33Å; L20-Q147 HydrophobicContact CD2-CB 3.99Å; L20-L149 HydrophobicContact CD1-CB 3.6Å; L20-L149 HydrophobicContact CD1-CD2 4.11Å; L20-L149 HydrophobicContact CD1-CG 4.42Å; L20-L149 HydrophobicContact CD2-CB 4.15Å; L20-L149 HydrophobicContact CG-CB 4.34Å
21	L	88.4	Confident	71.5	Confident	18 Å²	18	77.1 Å²	77.1	9%	0.094	40%	0.396	C	S	.	.	H	α-helix	trans	-70	-43.3	173.7	-173.9	65.9	0	0	0	110.9	D19 E23 L24 D25 V37 Q44 L47 L48	D19-L21 PolarHBondContact O-N 2.92Å; D19-L21 WeakPolarHBondContact OD2-CA 3.4Å; D19-L21 WeakPolarHBondContact OD2-CB 3.48Å; D19-L21 PolarHBondContact OD2-N 3.16Å; D19-L21 VanDerWaalsContact OD2-N 3.08Å; L21-E23 VanDerWaalsContact C-N 3.29Å; L21-E23 PolarHBondContact O-N 2.85Å; L21-L24 HydrophobicContact CD1-CD2 4.47Å; L21-L24 WeakPolarHBondContact O-CB 3.45Å; L21-L24 PolarHBondContact O-N 2.73Å; L21-D25 PolarHBondContact O-N 2.77Å; L21-V37 HydrophobicContact CD1-CG1 3.93Å; L21-Q44 HydrophobicContact CD2-CB 4.34Å; L21-Q44 HydrophobicContact CD2-CG 4.3Å; L21-L47 HydrophobicContact CB-CB 3.86Å; L21-L47 HydrophobicContact CD1-CD1 3.92Å; L21-L48 HydrophobicContact CB-CD2 4.35Å; L21-L48 HydrophobicContact CD2-CD1 4.43Å; L21-L48 HydrophobicContact CD2-CD2 3.95Å; L21-L48 HydrophobicContact CD2-CG 4.01Å
22	T	88.9	Confident	74.4	Confident	55 Å²	55	75.8 Å²	75.8	34%	0.337	38%	0.377	S	S	.	.	H	α-helix	trans	-61.1	-39.3	172.8	-62.4	0	0	0	0	111.7	A18 D19 D25	A18-T22 HydrophobicContact CB-CG2 3.89Å; D19-T22 PolarHBondContact O-N 2.75Å; D19-T22 WeakPolarHBondContact OD1-CB 3.44Å; D19-T22 PolarHBondContact OD1-OG1 2.81Å; D19-T22 PolarHBondContact OD2-N 3.33Å; T22-D25 WeakPolarHBondContact O-CB 3.35Å; T22-D25 PolarHBondContact O-N 3.36Å
23	E	87.5	Confident	77.3	Confident	47 Å²	47	71 Å²	71	22%	0.22	35%	0.348	C	S	.	.	H	α-helix	trans	-72.1	-36.3	178	-152.4	61.9	-171.8	0	0	111.9	D19 L20 L21 D25 R26 I27 I142	D19-E23 PolarHBondContact O-N 2.84Å; L20-E23 PolarHBondContact O-N 3.45Å; L21-E23 VanDerWaalsContact C-N 3.29Å; L21-E23 PolarHBondContact O-N 2.85Å; E23-D25 PolarHBondContact O-N 2.98Å; E23-R26 PolarHBondContact O-N 2.67Å; E23-R26 VanDerWaalsContact O-N 3.13Å; E23-R26 IonicContact OE1-NH1 3.1Å; E23-R26 WeakPolarHBondContact OE2-CD 3.31Å; E23-R26 IonicContact OE2-CZ 3.9Å; E23-R26 IonicContact OE2-NE 3.41Å; E23-R26 IonicContact OE2-NH1 2.7Å; E23-R26 PolarHBondContact OE2-NH1 3.22Å; E23-I27 WeakPolarHBondContact O-CD1 3.31Å; E23-I27 WeakPolarHBondContact O-CG1 3.24Å; E23-I142 HydrophobicContact CG-CG2 3.64Å
24	L	89	Confident	80.2	Confident	2 Å²	2	63 Å²	63	1%	0.01	32%	0.317	C	S	.	.	H	α-helix	trans	-60.8	-32.2	170.4	-174.6	64.8	0	0	0	111.9	L20 L21 R26 I27 L30 F33 R34 V37 L47 L149	L20-L24 WeakPolarHBondContact O-CB 3.37Å; L20-L24 PolarHBondContact O-N 3.37Å; L21-L24 HydrophobicContact CD1-CD2 4.47Å; L21-L24 WeakPolarHBondContact O-CB 3.45Å; L21-L24 PolarHBondContact O-N 2.73Å; L24-R26 PolarHBondContact O-N 2.69Å; L24-I27 PolarHBondContact O-N 3.39Å; L24-L30 HydrophobicContact CD1-CB 3.67Å; L24-L30 HydrophobicContact CD1-CD1 3.61Å; L24-L30 HydrophobicContact CD1-CG 4.29Å; L24-F33 HydrophobicContact CD1-CD1 4.28Å; L24-F33 HydrophobicContact CD2-CD1 4.29Å; L24-R34 HydrophobicContact CD2-CB 4.02Å; L24-R34 HydrophobicContact CD2-CG 4.38Å; L24-R34 HydrophobicContact CG-CB 3.98Å; L24-R34 HydrophobicContact CG-CG 4.37Å; L24-V37 HydrophobicContact CD2-CG1 4.47Å; L24-V37 HydrophobicContact CD2-CG2 4.38Å; L24-L47 HydrophobicContact CD2-CD1 4.27Å; L24-L149 HydrophobicContact CD1-CD2 4.25Å
25	D	89	Confident	83.1	Confident	61 Å²	61	59.6 Å²	59.6	33%	0.326	30%	0.298	S	S	.	.	H	α-helix	trans	-67	-23.5	176.5	-98.4	-35	0	0	0	114	L21 T22 E23 R34 K38	L21-D25 PolarHBondContact O-N 2.77Å; T22-D25 WeakPolarHBondContact O-CB 3.35Å; T22-D25 PolarHBondContact O-N 3.36Å; E23-D25 PolarHBondContact O-N 2.98Å; D25-R34 VanDerWaalsContact CA-NH1 3.32Å; D25-R34 PolarHBondContact O-NH1 3.26Å; D25-R34 WeakPolarHBondContact OD1-CD 3.42Å; D25-R34 IonicContact OD1-CZ 3.75Å; D25-R34 IonicContact OD1-NE 3.75Å; D25-R34 IonicContact OD1-NH1 3.37Å; D25-R34 PolarHBondContact OD1-NH1 2.83Å; D25-K38 VanDerWaalsContact CG-NZ 3.27Å; D25-K38 IonicContact OD1-NZ 2.79Å; D25-K38 PolarHBondContact OD1-NZ 3.33Å; D25-K38 IonicContact OD2-NZ 3.56Å; D25-K38 PolarHBondContact OD2-NZ 3.32Å
26	R	87.8	Confident	85.5	Confident	147 Å²	147	50.8 Å²	50.8	56%	0.555	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-14.6	178.9	-65.2	174.2	176.4	171	-5.4	113.9	E23 L24	E23-R26 PolarHBondContact O-N 2.67Å; E23-R26 VanDerWaalsContact O-N 3.13Å; E23-R26 IonicContact OE1-NH1 3.1Å; E23-R26 WeakPolarHBondContact OE2-CD 3.31Å; E23-R26 IonicContact OE2-CZ 3.9Å; E23-R26 IonicContact OE2-NE 3.41Å; E23-R26 IonicContact OE2-NH1 2.7Å; E23-R26 PolarHBondContact OE2-NH1 3.22Å; L24-R26 PolarHBondContact O-N 2.69Å
27	I	88	Confident	87.9	Confident	19 Å²	19	45.9 Å²	45.9	10%	0.097	23%	0.226	C	C	.	.			trans	-99.5	104.4	-172.5	-54.1	155	0	0	0	109.8	E23 L24 D29 L30 I142 L149	E23-I27 WeakPolarHBondContact O-CD1 3.31Å; E23-I27 WeakPolarHBondContact O-CG1 3.24Å; L24-I27 PolarHBondContact O-N 3.39Å; I27-D29 VanDerWaalsContact C-N 3.34Å; I27-D29 HydrophobicContact CG2-CB 4.28Å; I27-D29 PolarHBondContact O-N 3.24Å; I27-L30 HydrophobicContact CB-CB 4.45Å; I27-L30 HydrophobicContact CB-CD1 4.34Å; I27-L30 HydrophobicContact CB-CG 4.47Å; I27-L30 HydrophobicContact CD1-CD1 3.93Å; I27-L30 HydrophobicContact CG2-CB 4.19Å; I27-L30 HydrophobicContact CG2-CD1 3.96Å; I27-L30 HydrophobicContact CG2-CG 3.83Å; I27-L30 PolarHBondContact O-N 2.75Å; I27-I142 HydrophobicContact CD1-CD1 3.15Å; I27-I142 HydrophobicContact CG1-CD1 3.79Å; I27-L149 HydrophobicContact CD1-CD2 3.78Å
28	D	89.2	Confident	89.8	Confident	122 Å²	122	43.9 Å²	43.9	65%	0.652	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-63.3	-37.4	-178.2	-66.1	-34.7	0	0	0	113	L30 S31 N61	D28-L30 PolarHBondContact O-N 3.12Å; D28-S31 WeakPolarHBondContact O-CB 3.32Å; D28-S31 PolarHBondContact O-N 2.85Å; D28-S31 PolarHBondContact O-OG 3.12Å; D28-N61 PolarHBondContact O-ND2 3.04Å
29	D	90	Very high	90.8	Very high	83 Å²	83	48 Å²	48	44%	0.444	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-60.7	-16.1	179.3	-56.7	-23	0	0	0	114.2	I27 I60 N61 K151	I27-D29 VanDerWaalsContact C-N 3.34Å; I27-D29 HydrophobicContact CG2-CB 4.28Å; I27-D29 PolarHBondContact O-N 3.24Å; D29-I60 CarbonylContact O-C 3.54Å; D29-I60 WeakPolarHBondContact O-CA 3.33Å; D29-N61 PolarHBondContact O-N 3.4Å; D29-N61 PolarHBondContact O-ND2 2.87Å; D29-N61 PolarHBondContact O-OD1 3.24Å; D29-K151 IonicContact OD2-NZ 3.86Å; D29-K151 PolarHBondContact OD2-NZ 3.12Å
30	L	92	Very high	91.4	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-110.3	15.4	-178.2	-62.8	179.6	0	0	0	112.1	L24 I27 D28 E32 F33 R34 A58 P59 I60 L149 K151	L24-L30 HydrophobicContact CD1-CB 3.67Å; L24-L30 HydrophobicContact CD1-CD1 3.61Å; L24-L30 HydrophobicContact CD1-CG 4.29Å; I27-L30 HydrophobicContact CB-CB 4.45Å; I27-L30 HydrophobicContact CB-CD1 4.34Å; I27-L30 HydrophobicContact CB-CG 4.47Å; I27-L30 HydrophobicContact CD1-CD1 3.93Å; I27-L30 HydrophobicContact CG2-CB 4.19Å; I27-L30 HydrophobicContact CG2-CD1 3.96Å; I27-L30 HydrophobicContact CG2-CG 3.83Å; I27-L30 PolarHBondContact O-N 2.75Å; D28-L30 PolarHBondContact O-N 3.12Å; L30-E32 VanDerWaalsContact C-N 3.29Å; L30-E32 PolarHBondContact O-N 3.48Å; L30-F33 PolarHBondContact O-N 3.26Å; L30-R34 VanDerWaalsContact O-CB 3.28Å; L30-R34 WeakPolarHBondContact O-CB 3.48Å; L30-R34 PolarHBondContact O-N 3.02Å; L30-A58 HydrophobicContact CD1-CB 4.09Å; L30-A58 HydrophobicContact CD2-CB 3.92Å; L30-P59 WeakPolarHBondContact CD2-O 3.19Å; L30-I60 HydrophobicContact CD2-CG2 4.11Å; L30-L149 HydrophobicContact CD1-CD2 3.81Å; L30-L149 HydrophobicContact CD1-CG 4.41Å; L30-K151 HydrophobicContact CD2-CG 4.47Å
31	S	93.2	Very high	91.7	Very high	38 Å²	38	53.1 Å²	53.1	27%	0.266	26%	0.262	S	S	.	.	H	α-helix	trans	-56.2	-39	-177	62.1	0	0	0	0	113.7	D28 R34 R35 N61	D28-S31 WeakPolarHBondContact O-CB 3.32Å; D28-S31 PolarHBondContact O-N 2.85Å; D28-S31 PolarHBondContact O-OG 3.12Å; S31-R34 WeakPolarHBondContact O-CB 3.2Å; S31-R35 WeakPolarHBondContact O-CB 3.1Å; S31-R35 PolarHBondContact O-N 3.14Å; S31-N61 PolarHBondContact N-OD1 3.03Å; S31-N61 PolarHBondContact OG-ND2 3.46Å; S31-N61 PolarHBondContact OG-OD1 2.76Å
32	E	93.7	Very high	91.9	Very high	51 Å²	51	54.8 Å²	54.8	24%	0.238	27%	0.273	C	S	.	.	H	α-helix	trans	-71	-42.9	177.3	-74.6	-59.4	149.4	0	0	112.4	L30 R34 R35 I36 N61 F64	L30-E32 VanDerWaalsContact C-N 3.29Å; L30-E32 PolarHBondContact O-N 3.48Å; E32-R34 VanDerWaalsContact C-N 3.32Å; E32-R34 PolarHBondContact O-N 3.25Å; E32-R35 WeakPolarHBondContact O-CB 3.39Å; E32-R35 PolarHBondContact O-N 3.15Å; E32-R35 IonicContact OE2-CZ 3.12Å; E32-R35 IonicContact OE2-NE 3.87Å; E32-R35 PolarHBondContact OE2-NE 3.17Å; E32-R35 IonicContact OE2-NH2 3.01Å; E32-I36 WeakPolarHBondContact O-CG1 3.48Å; E32-I36 PolarHBondContact O-N 3.41Å; E32-N61 WeakPolarHBondContact CB-OD1 3.28Å; E32-N61 PolarHBondContact N-OD1 2.92Å; E32-F64 HydrophobicContact CB-CB 4.33Å; E32-F64 HydrophobicContact CB-CD1 4.41Å; E32-F64 HydrophobicContact CB-CD2 3.5Å; E32-F64 HydrophobicContact CB-CE2 3.77Å; E32-F64 HydrophobicContact CB-CG 3.84Å; E32-F64 HydrophobicContact CB-CZ 4.33Å; E32-F64 HydrophobicContact CG-CB 4.33Å; E32-F64 HydrophobicContact CG-CD2 4.3Å; E32-F64 HydrophobicContact CG-CG 4.37Å
33	F	94.6	Very high	92.1	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-43.3	175.3	-178.3	-106.5	0	0	0	111.1	L24 L30 R35 I36 V37 V56 A58 F64 L78 H81 F82	L24-F33 HydrophobicContact CD1-CD1 4.28Å; L24-F33 HydrophobicContact CD2-CD1 4.29Å; L30-F33 PolarHBondContact O-N 3.26Å; F33-R35 VanDerWaalsContact C-N 3.3Å; F33-R35 PolarHBondContact O-N 3.22Å; F33-I36 PolarHBondContact O-N 3.06Å; F33-V37 HydrophobicContact CD1-CG2 4.02Å; F33-V37 HydrophobicContact CE1-CG2 3.68Å; F33-V37 HydrophobicContact CE2-CG2 4.49Å; F33-V37 HydrophobicContact CZ-CG2 3.95Å; F33-V37 WeakPolarHBondContact O-CG2 3.4Å; F33-V37 PolarHBondContact O-N 3.29Å; F33-V56 HydrophobicContact CE1-CG1 4.01Å; F33-V56 HydrophobicContact CZ-CG1 3.95Å; F33-A58 HydrophobicContact CD1-CB 3.51Å; F33-A58 HydrophobicContact CE1-CB 3.56Å; F33-A58 HydrophobicContact CG-CB 4.01Å; F33-A58 HydrophobicContact CZ-CB 4.1Å; F33-F64 HydrophobicContact CB-CE2 4.12Å; F33-F64 HydrophobicContact CB-CZ 4.13Å; F33-F64 HydrophobicContact CD2-CZ 4.46Å; F33-L78 HydrophobicContact CD2-CD1 4.28Å; F33-L78 HydrophobicContact CE2-CD1 3.5Å; F33-L78 VanDerWaalsContact CE2-CD1 3.5Å; F33-L78 HydrophobicContact CZ-CD1 3.89Å; F33-H81 HydrophobicContact CE2-CB 4.47Å; F33-H81 HydrophobicContact CZ-CB 4.45Å; F33-F82 HydrophobicContact CZ-CE2 4.3Å
34	R	94.4	Very high	92.4	Very high	48 Å²	48	52.4 Å²	52.4	18%	0.181	26%	0.258	C	S	.	.	H	α-helix	trans	-55.8	-43.8	172.8	173.1	178.6	53.9	-178.5	-12.5	112	L24 D25 L30 S31 E32 I36 V37 K38	L24-R34 HydrophobicContact CD2-CB 4.02Å; L24-R34 HydrophobicContact CD2-CG 4.38Å; L24-R34 HydrophobicContact CG-CB 3.98Å; L24-R34 HydrophobicContact CG-CG 4.37Å; D25-R34 VanDerWaalsContact CA-NH1 3.32Å; D25-R34 PolarHBondContact O-NH1 3.26Å; D25-R34 WeakPolarHBondContact OD1-CD 3.42Å; D25-R34 IonicContact OD1-CZ 3.75Å; D25-R34 IonicContact OD1-NE 3.75Å; D25-R34 IonicContact OD1-NH1 3.37Å; D25-R34 PolarHBondContact OD1-NH1 2.83Å; L30-R34 VanDerWaalsContact O-CB 3.28Å; L30-R34 WeakPolarHBondContact O-CB 3.48Å; L30-R34 PolarHBondContact O-N 3.02Å; S31-R34 WeakPolarHBondContact O-CB 3.2Å; E32-R34 VanDerWaalsContact C-N 3.32Å; E32-R34 PolarHBondContact O-N 3.25Å; R34-I36 VanDerWaalsContact C-N 3.32Å; R34-I36 PolarHBondContact O-N 3.07Å; R34-V37 PolarHBondContact O-N 3.01Å; R34-K38 HydrophobicContact CG-CD 4.12Å; R34-K38 HydrophobicContact CG-CG 4.45Å; R34-K38 WeakPolarHBondContact O-CB 3.29Å; R34-K38 WeakPolarHBondContact O-CG 3.18Å; R34-K38 PolarHBondContact O-N 3.23Å
35	R	94.2	Very high	92.5	Very high	95 Å²	95	55.4 Å²	55.4	36%	0.358	28%	0.279	S	S	.	.	H	α-helix	trans	-56.5	-47.9	177.9	-172.9	-172.1	64.1	67.3	8.5	110.5	S31 E32 F33 K38 E39	S31-R35 WeakPolarHBondContact O-CB 3.1Å; S31-R35 PolarHBondContact O-N 3.14Å; E32-R35 WeakPolarHBondContact O-CB 3.39Å; E32-R35 PolarHBondContact O-N 3.15Å; E32-R35 IonicContact OE2-CZ 3.12Å; E32-R35 IonicContact OE2-NE 3.87Å; E32-R35 PolarHBondContact OE2-NE 3.17Å; E32-R35 IonicContact OE2-NH2 3.01Å; F33-R35 VanDerWaalsContact C-N 3.3Å; F33-R35 PolarHBondContact O-N 3.22Å; R35-K38 PolarHBondContact O-N 3.39Å; R35-E39 IonicContact CZ-OE1 3.85Å; R35-E39 IonicContact NH1-OE1 3.58Å; R35-E39 PolarHBondContact NH1-OE1 2.87Å; R35-E39 PolarHBondContact O-N 3.24Å
36	I	93.8	Very high	92.7	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-66.2	-41.7	179.1	-59.1	169.1	0	0	0	111.4	E32 F33 R34 K38 E39 Y40 F64 M73 L78	E32-I36 WeakPolarHBondContact O-CG1 3.48Å; E32-I36 PolarHBondContact O-N 3.41Å; F33-I36 PolarHBondContact O-N 3.06Å; R34-I36 VanDerWaalsContact C-N 3.32Å; R34-I36 PolarHBondContact O-N 3.07Å; I36-K38 VanDerWaalsContact C-N 3.28Å; I36-K38 PolarHBondContact O-N 3.23Å; I36-E39 WeakPolarHBondContact O-CB 3.48Å; I36-E39 PolarHBondContact O-N 3.47Å; I36-E39 VanDerWaalsContact O-N 3.14Å; I36-Y40 HydrophobicContact CG2-CE2 4.4Å; I36-F64 HydrophobicContact CD1-CD1 4.34Å; I36-F64 HydrophobicContact CD1-CE1 3.44Å; I36-F64 VanDerWaalsContact CD1-CE1 3.44Å; I36-F64 HydrophobicContact CD1-CZ 3.94Å; I36-M73 HydrophobicContact CD1-CE 3.89Å; I36-M73 HydrophobicContact CG2-CB 4.4Å; I36-L78 HydrophobicContact CG2-CD1 4.16Å; I36-L78 HydrophobicContact CG2-CD2 4.21Å
37	V	94.9	Very high	92.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.6	-42.5	173.2	167	0	0	0	0	111.2	L21 L24 F33 R34 E39 Y40 S43 Q44 L47 L78	L21-V37 HydrophobicContact CD1-CG1 3.93Å; L24-V37 HydrophobicContact CD2-CG1 4.47Å; L24-V37 HydrophobicContact CD2-CG2 4.38Å; F33-V37 HydrophobicContact CD1-CG2 4.02Å; F33-V37 HydrophobicContact CE1-CG2 3.68Å; F33-V37 HydrophobicContact CE2-CG2 4.49Å; F33-V37 HydrophobicContact CZ-CG2 3.95Å; F33-V37 WeakPolarHBondContact O-CG2 3.4Å; F33-V37 PolarHBondContact O-N 3.29Å; R34-V37 PolarHBondContact O-N 3.01Å; V37-E39 PolarHBondContact O-N 3.24Å; V37-Y40 PolarHBondContact O-N 3.19Å; V37-S43 PolarHBondContact O-OG 2.96Å; V37-Q44 HydrophobicContact CG1-CG 4.17Å; V37-Q44 WeakPolarHBondContact O-CG 3.14Å; V37-Q44 PolarHBondContact O-NE2 3.15Å; V37-L47 HydrophobicContact CG1-CD1 3.39Å; V37-L47 HydrophobicContact CG2-CD1 4.37Å; V37-L78 HydrophobicContact CG2-CD1 4.07Å; V37-L78 HydrophobicContact CG2-CD2 4.29Å
38	K	93.7	Very high	93	Very high	95 Å²	95	52.9 Å²	52.9	41%	0.413	27%	0.271	S	S	.	.	H	α-helix	trans	-68.4	-17.4	179.4	-73.9	-176.6	176.5	-174.6	0	113.7	D25 R34 R35 I36 Q44	D25-K38 VanDerWaalsContact CG-NZ 3.27Å; D25-K38 IonicContact OD1-NZ 2.79Å; D25-K38 PolarHBondContact OD1-NZ 3.33Å; D25-K38 IonicContact OD2-NZ 3.56Å; D25-K38 PolarHBondContact OD2-NZ 3.32Å; R34-K38 HydrophobicContact CG-CD 4.12Å; R34-K38 HydrophobicContact CG-CG 4.45Å; R34-K38 WeakPolarHBondContact O-CB 3.29Å; R34-K38 WeakPolarHBondContact O-CG 3.18Å; R34-K38 PolarHBondContact O-N 3.23Å; R35-K38 PolarHBondContact O-N 3.39Å; I36-K38 VanDerWaalsContact C-N 3.28Å; I36-K38 PolarHBondContact O-N 3.23Å; K38-Q44 VanDerWaalsContact C-NE2 3.34Å; K38-Q44 PolarHBondContact O-NE2 3.27Å
39	E	94.4	Very high	93	Very high	100 Å²	100	50.8 Å²	50.8	47%	0.467	26%	0.26	S	S	.	.	H	α-helix	trans	-72.8	-29	174.2	-68.6	173.3	-173.5	0	0	112.7	R35 I36 V37	R35-E39 IonicContact CZ-OE1 3.85Å; R35-E39 IonicContact NH1-OE1 3.58Å; R35-E39 PolarHBondContact NH1-OE1 2.87Å; R35-E39 PolarHBondContact O-N 3.24Å; I36-E39 WeakPolarHBondContact O-CB 3.48Å; I36-E39 PolarHBondContact O-N 3.47Å; I36-E39 VanDerWaalsContact O-N 3.14Å; V37-E39 PolarHBondContact O-N 3.24Å
40	Y	94.9	Very high	92.6	Very high	58 Å²	58	51.2 Å²	51.2	23%	0.227	26%	0.256	C	S	.	.			trans	-117.3	111.8	-173.8	-59.3	-66	0	0	0	112.5	I36 V37 V42 S43 Q44 M73 Q75 L78	I36-Y40 HydrophobicContact CG2-CE2 4.4Å; V37-Y40 PolarHBondContact O-N 3.19Å; Y40-V42 PolarHBondContact O-N 3.05Å; Y40-V42 VanDerWaalsContact O-N 3.16Å; Y40-S43 PolarHBondContact O-N 3.08Å; Y40-S43 VanDerWaalsContact O-N 3.07Å; Y40-S43 PolarHBondContact O-OG 3.15Å; Y40-Q44 PolarHBondContact O-N 2.73Å; Y40-M73 PolarHBondContact OH-O 3.26Å; Y40-Q75 HydrophobicContact CD1-CB 3.61Å; Y40-Q75 HydrophobicContact CD1-CG 3.91Å; Y40-Q75 HydrophobicContact CD2-CB 4.1Å; Y40-Q75 HydrophobicContact CD2-CG 4.38Å; Y40-Q75 HydrophobicContact CE1-CB 3.68Å; Y40-Q75 HydrophobicContact CE1-CG 4.48Å; Y40-Q75 HydrophobicContact CE2-CB 4.12Å; Y40-Q75 HydrophobicContact CG-CB 3.83Å; Y40-Q75 HydrophobicContact CG-CG 3.85Å; Y40-Q75 VanDerWaalsContact CZ-N 3.28Å; Y40-Q75 PolarHBondContact OH-N 3.35Å; Y40-L78 HydrophobicContact CD2-CD2 3.79Å
41	A	94.3	Very high	92.3	Very high	75 Å²	75	59.8 Å²	59.8	62%	0.62	29%	0.288	S	S	*	.	H	α-helix	trans	-55.5	-34.6	178.7	0	0	0	0	0	113.3	S43 Q44 S45	A41-S43 PolarHBondContact O-N 3.01Å; A41-Q44 PolarHBondContact O-N 3.22Å; A41-S45 PolarHBondContact O-N 2.99Å
42	V	93.3	Very high	92	Very high	53 Å²	53	59.1 Å²	59.1	32%	0.321	28%	0.284	S	S	.	.	H	α-helix	trans	-61.1	-46.5	177.5	179.4	0	0	0	0	111	Y40 Q44 S45 Y46 L79	Y40-V42 PolarHBondContact O-N 3.05Å; Y40-V42 VanDerWaalsContact O-N 3.16Å; V42-Q44 VanDerWaalsContact C-N 3.34Å; V42-Q44 PolarHBondContact O-N 2.99Å; V42-S45 PolarHBondContact O-N 2.92Å; V42-S45 PolarHBondContact O-OG 3.46Å; V42-Y46 HydrophobicContact CG1-CD2 4.28Å; V42-Y46 HydrophobicContact CG1-CE2 3.81Å; V42-Y46 WeakPolarHBondContact O-CD2 3.48Å; V42-Y46 PolarHBondContact O-N 3.32Å; V42-L79 HydrophobicContact CG1-CD1 4.12Å; V42-L79 HydrophobicContact CG1-CD2 4.34Å
43	S	92	Very high	91.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-66.5	-36.6	179.7	70.2	0	0	0	0	112.4	V37 Y40 A41 S45 Y46 L47 L78	V37-S43 PolarHBondContact O-OG 2.96Å; Y40-S43 PolarHBondContact O-N 3.08Å; Y40-S43 VanDerWaalsContact O-N 3.07Å; Y40-S43 PolarHBondContact O-OG 3.15Å; A41-S43 PolarHBondContact O-N 3.01Å; S43-S45 VanDerWaalsContact C-N 3.34Å; S43-S45 PolarHBondContact O-N 3.24Å; S43-Y46 PolarHBondContact O-N 3.2Å; S43-L47 WeakPolarHBondContact O-CG 3.14Å; S43-L47 PolarHBondContact O-N 3.48Å; S43-L78 WeakPolarHBondContact OG-CD2 3.27Å
44	Q	93.6	Very high	91.6	Very high	52 Å²	52	59.2 Å²	59.2	24%	0.243	29%	0.293	C	S	.	.	H	α-helix	trans	-63.4	-40.6	174.3	-68.7	170.1	65.7	0	0	111.6	L21 V37 K38 Y40 A41 V42 Y46 L47 L48	L21-Q44 HydrophobicContact CD2-CB 4.34Å; L21-Q44 HydrophobicContact CD2-CG 4.3Å; V37-Q44 HydrophobicContact CG1-CG 4.17Å; V37-Q44 WeakPolarHBondContact O-CG 3.14Å; V37-Q44 PolarHBondContact O-NE2 3.15Å; K38-Q44 VanDerWaalsContact C-NE2 3.34Å; K38-Q44 PolarHBondContact O-NE2 3.27Å; Y40-Q44 PolarHBondContact O-N 2.73Å; A41-Q44 PolarHBondContact O-N 3.22Å; V42-Q44 VanDerWaalsContact C-N 3.34Å; V42-Q44 PolarHBondContact O-N 2.99Å; Q44-Y46 VanDerWaalsContact C-N 3.29Å; Q44-Y46 PolarHBondContact O-N 3.41Å; Q44-L47 PolarHBondContact O-N 3.02Å; Q44-L47 VanDerWaalsContact O-N 3.1Å; Q44-L48 WeakPolarHBondContact O-CB 3.41Å; Q44-L48 WeakPolarHBondContact O-CG 3.49Å; Q44-L48 PolarHBondContact O-N 3.05Å
45	S	92.1	Very high	91.5	Very high	65 Å²	65	56.9 Å²	56.9	46%	0.455	28%	0.284	S	S	.	.	H	α-helix	trans	-60.3	-37.9	-179.7	75	0	0	0	0	112.7	A41 V42 S43 D49	A41-S45 PolarHBondContact O-N 2.99Å; V42-S45 PolarHBondContact O-N 2.92Å; V42-S45 PolarHBondContact O-OG 3.46Å; S43-S45 VanDerWaalsContact C-N 3.34Å; S43-S45 PolarHBondContact O-N 3.24Å; S45-D49 PolarHBondContact O-N 2.94Å
46	Y	91.9	Very high	91.5	Very high	83 Å²	83	52.4 Å²	52.4	33%	0.325	27%	0.267	S	S	.	.	H	α-helix	trans	-66.9	-38.5	175.1	-76.6	-71.5	0	0	0	112.5	V42 S43 Q44 L79 V106 Q147	V42-Y46 HydrophobicContact CG1-CD2 4.28Å; V42-Y46 HydrophobicContact CG1-CE2 3.81Å; V42-Y46 WeakPolarHBondContact O-CD2 3.48Å; V42-Y46 PolarHBondContact O-N 3.32Å; S43-Y46 PolarHBondContact O-N 3.2Å; Q44-Y46 VanDerWaalsContact C-N 3.29Å; Q44-Y46 PolarHBondContact O-N 3.41Å; Y46-L79 HydrophobicContact CD2-CD2 4.08Å; Y46-L79 HydrophobicContact CE2-CD2 4.17Å; Y46-V106 HydrophobicContact CD1-CG1 4.26Å; Y46-V106 HydrophobicContact CD1-CG2 4.46Å; Y46-V106 HydrophobicContact CD2-CG1 4.12Å; Y46-V106 HydrophobicContact CE1-CG1 3.59Å; Y46-V106 HydrophobicContact CE1-CG2 4.31Å; Y46-V106 HydrophobicContact CE2-CG1 3.44Å; Y46-V106 VanDerWaalsContact CE2-CG1 3.44Å; Y46-V106 WeakPolarHBondContact OH-CG1 3.28Å; Y46-Q147 PolarHBondContact O-NE2 3.22Å
47	L	91.3	Very high	91.5	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	27%	0.267	C	S	.	.	H	α-helix	trans	-76.4	-27.9	-179.2	-62.2	176.7	0	0	0	113.2	L20 L21 L24 V37 S43 Q44 L54 V56 F82 Q147	L20-L47 HydrophobicContact CB-CD2 4.34Å; L20-L47 HydrophobicContact CD2-CD2 3.66Å; L20-L47 HydrophobicContact CG-CD2 4.16Å; L20-L47 PolarHBondContact N-O 3.21Å; L21-L47 HydrophobicContact CB-CB 3.86Å; L21-L47 HydrophobicContact CD1-CD1 3.92Å; L24-L47 HydrophobicContact CD2-CD1 4.27Å; V37-L47 HydrophobicContact CG1-CD1 3.39Å; V37-L47 HydrophobicContact CG2-CD1 4.37Å; S43-L47 WeakPolarHBondContact O-CG 3.14Å; S43-L47 PolarHBondContact O-N 3.48Å; Q44-L47 PolarHBondContact O-N 3.02Å; Q44-L47 VanDerWaalsContact O-N 3.1Å; L47-L54 HydrophobicContact CD2-CD2 4.3Å; L47-V56 HydrophobicContact CD2-CG2 3.83Å; L47-F82 HydrophobicContact CD1-CE1 4.5Å; L47-F82 HydrophobicContact CD1-CZ 4.32Å; L47-F82 HydrophobicContact CD2-CE1 3.66Å; L47-F82 HydrophobicContact CD2-CZ 4.07Å; L47-F82 HydrophobicContact CG-CE1 3.85Å; L47-F82 HydrophobicContact CG-CZ 4.16Å; L47-Q147 PolarHBondContact O-OE1 3.47Å
48	L	91.2	Very high	91.4	Very high	89 Å²	89	52.4 Å²	52.4	47%	0.466	27%	0.267	S	S	.	.	H	α-helix	trans	-75.6	-28.1	175.8	-72.8	168.9	0	0	0	112.2	L21 Q44 Y50	L21-L48 HydrophobicContact CB-CD2 4.35Å; L21-L48 HydrophobicContact CD2-CD1 4.43Å; L21-L48 HydrophobicContact CD2-CD2 3.95Å; L21-L48 HydrophobicContact CD2-CG 4.01Å; Q44-L48 WeakPolarHBondContact O-CB 3.41Å; Q44-L48 WeakPolarHBondContact O-CG 3.49Å; Q44-L48 PolarHBondContact O-N 3.05Å; L48-Y50 VanDerWaalsContact C-N 3.32Å; L48-Y50 PolarHBondContact O-N 3.44Å
49	D	89.5	Confident	91.4	Very high	78 Å²	78	47.9 Å²	47.9	42%	0.417	25%	0.248	S	C	.	.			trans	-77.3	80.6	176.7	-176.3	11	0	0	0	111.8	S45 R51 S52 Q147	S45-D49 PolarHBondContact O-N 2.94Å; D49-R51 PolarHBondContact O-N 3.32Å; D49-R51 PolarHBondContact OD1-N 3.02Å; D49-S52 WeakPolarHBondContact O-CB 3.39Å; D49-S52 PolarHBondContact O-N 3.26Å; D49-S52 PolarHBondContact O-OG 2.85Å; D49-Q147 PolarHBondContact O-NE2 3.46Å
50	Y	82.6	Confident	91.4	Very high	92 Å²	92	44 Å²	44	36%	0.361	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-14.4	179	65.5	-98.9	0	0	0	114.9	L48 S146	L48-Y50 VanDerWaalsContact C-N 3.32Å; L48-Y50 PolarHBondContact O-N 3.44Å; Y50-S146 WeakPolarHBondContact O-CB 3.42Å
51	R	84.7	Confident	91.4	Very high	181 Å²	181	43 Å²	43	68%	0.683	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-19.8	177.7	-60.7	-173.9	-178.7	-174.1	-1.5	112.5	D49 A53	D49-R51 PolarHBondContact O-N 3.32Å; D49-R51 PolarHBondContact OD1-N 3.02Å; R51-A53 PolarHBondContact O-N 2.93Å
52	S	86.3	Confident	91.4	Very high	24 Å²	24	43.9 Å²	43.9	17%	0.168	22%	0.223	C	C	.	.	S	Bend	trans	-64.9	133.6	178.8	65	0	0	0	0	111	D49 L54 Q147	D49-S52 WeakPolarHBondContact O-CB 3.39Å; D49-S52 PolarHBondContact O-N 3.26Å; D49-S52 PolarHBondContact O-OG 2.85Å; S52-L54 VanDerWaalsContact C-N 3.33Å; S52-L54 PolarHBondContact O-N 3.12Å; S52-Q147 WeakPolarHBondContact O-CG 3.44Å; S52-Q147 PolarHBondContact OG-NE2 2.96Å
53	A	89.1	Confident	91.4	Very high	50 Å²	50	41.4 Å²	41.4	41%	0.413	21%	0.207	S	C	.	.			trans	-77.8	85	173.7	0	0	0	0	0	109	R51 D84 R85 Q86	R51-A53 PolarHBondContact O-N 2.93Å; A53-D84 CarbonylContact O-C 3.13Å; A53-R85 WeakPolarHBondContact O-CA 3.49Å; A53-R85 PolarHBondContact O-N 3.22Å; A53-R85 VanDerWaalsContact O-N 3.16Å; A53-Q86 HydrophobicContact CB-CG 4.01Å
54	L	91.5	Very high	91.5	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	140.3	-170.3	-177.2	73.5	0	0	0	111.3	L47 S52 V56 F82 V83 V106 Q147 Y148	L47-L54 HydrophobicContact CD2-CD2 4.3Å; S52-L54 VanDerWaalsContact C-N 3.33Å; S52-L54 PolarHBondContact O-N 3.12Å; L54-V56 HydrophobicContact CD2-CG2 3.65Å; L54-V56 HydrophobicContact CG-CG2 3.92Å; L54-F82 HydrophobicContact CD1-CB 4Å; L54-F82 HydrophobicContact CD1-CD1 4.04Å; L54-F82 HydrophobicContact CD1-CG 4.49Å; L54-F82 HydrophobicContact CD2-CD1 3.81Å; L54-F82 HydrophobicContact CD2-CE1 4.23Å; L54-F82 HydrophobicContact CG-CD1 4.43Å; L54-V83 WeakPolarHBondContact CA-O 3.34Å; L54-V83 VanDerWaalsContact CD1-O 3.26Å; L54-V83 WeakPolarHBondContact CD1-O 3.38Å; L54-V106 HydrophobicContact CD1-CG2 3.88Å; L54-Q147 HydrophobicContact CB-CG 4.16Å; L54-Q147 CarbonylContact O-C 3.52Å; L54-Q147 VanDerWaalsContact O-CA 3.27Å; L54-Q147 WeakPolarHBondContact O-CA 3.42Å; L54-Y148 PolarHBondContact O-N 3.35Å
55	T	92.2	Very high	91.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.5	164.3	-58.4	0	0	0	0	110.2	F57 V83 R85 Q86 L87 Y148 Y150	T55-F57 HydrophobicContact CG2-CE2 4.21Å; T55-F57 HydrophobicContact CG2-CZ 4.19Å; T55-V83 PolarHBondContact N-O 2.8Å; T55-V83 PolarHBondContact O-N 2.82Å; T55-R85 VanDerWaalsContact CB-O 3.31Å; T55-R85 WeakPolarHBondContact CB-O 3.44Å; T55-R85 PolarHBondContact N-O 2.88Å; T55-R85 PolarHBondContact OG1-O 2.84Å; T55-Q86 WeakPolarHBondContact OG1-CA 3.44Å; T55-L87 HydrophobicContact CG2-CB 4.38Å; T55-L87 HydrophobicContact CG2-CD1 3.98Å; T55-L87 HydrophobicContact CG2-CG 4.46Å; T55-L87 PolarHBondContact OG1-N 3.39Å; T55-L87 VanDerWaalsContact OG1-N 3.12Å; T55-Y148 CarbonylContact C-O 3.53Å; T55-Y148 VanDerWaalsContact CA-O 3.29Å; T55-Y148 WeakPolarHBondContact CA-O 3.38Å; T55-Y150 HydrophobicContact CG2-CD2 3.34Å; T55-Y150 HydrophobicContact CG2-CE2 3.45Å; T55-Y150 VanDerWaalsContact CG2-CE2 3.45Å
56	V	93.6	Very high	91.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	128.4	-180	-177.1	0	0	0	0	109.9	L20 F33 L47 L54 H81 F82 Y148 L149 Y150	L20-V56 HydrophobicContact CD2-CB 4.42Å; L20-V56 HydrophobicContact CD2-CG2 4Å; F33-V56 HydrophobicContact CE1-CG1 4.01Å; F33-V56 HydrophobicContact CZ-CG1 3.95Å; L47-V56 HydrophobicContact CD2-CG2 3.83Å; L54-V56 HydrophobicContact CD2-CG2 3.65Å; L54-V56 HydrophobicContact CG-CG2 3.92Å; V56-H81 WeakPolarHBondContact CA-O 3.23Å; V56-F82 HydrophobicContact CG1-CD2 4.39Å; V56-F82 HydrophobicContact CG1-CE2 4.16Å; V56-F82 HydrophobicContact CG1-CZ 4.31Å; V56-F82 HydrophobicContact CG2-CD1 3.88Å; V56-F82 HydrophobicContact CG2-CE1 3.98Å; V56-F82 HydrophobicContact CG2-CG 4.22Å; V56-F82 HydrophobicContact CG2-CZ 4.4Å; V56-Y148 PolarHBondContact N-O 3.37Å; V56-L149 HydrophobicContact CB-CD1 3.91Å; V56-L149 HydrophobicContact CG1-CD1 3.92Å; V56-L149 CarbonylContact O-C 3.53Å; V56-L149 WeakPolarHBondContact O-CA 3.39Å; V56-Y150 PolarHBondContact O-N 3.36Å
57	F	93.7	Very high	91.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	97.9	174.7	-69.4	-73.7	0	0	0	109.9	T55 H81 V83 L87 L90 M111 L113 A127 V132 Y150 I152 I156	T55-F57 HydrophobicContact CG2-CE2 4.21Å; T55-F57 HydrophobicContact CG2-CZ 4.19Å; F57-H81 PolarHBondContact N-O 3.46Å; F57-H81 WeakPolarHBondContact O-CB 3.44Å; F57-H81 PolarHBondContact O-ND1 3.49Å; F57-V83 HydrophobicContact CD2-CG2 4.13Å; F57-V83 HydrophobicContact CE2-CG2 3.82Å; F57-L87 HydrophobicContact CE2-CD1 4.12Å; F57-L87 HydrophobicContact CZ-CD1 3.77Å; F57-L90 HydrophobicContact CE1-CD1 4.1Å; F57-L90 HydrophobicContact CZ-CD1 4.2Å; F57-M111 HydrophobicContact CD2-CE 4.22Å; F57-M111 HydrophobicContact CE2-CG 4.3Å; F57-L113 HydrophobicContact CE1-CD2 4.5Å; F57-L113 HydrophobicContact CE2-CD2 4.2Å; F57-L113 HydrophobicContact CZ-CD2 3.74Å; F57-A127 HydrophobicContact CD1-CB 3.86Å; F57-A127 HydrophobicContact CD2-CB 4.11Å; F57-A127 HydrophobicContact CE1-CB 3.89Å; F57-A127 HydrophobicContact CE2-CB 4.13Å; F57-A127 HydrophobicContact CG-CB 3.97Å; F57-A127 HydrophobicContact CZ-CB 4.03Å; F57-V132 HydrophobicContact CE1-CG2 4.45Å; F57-Y150 CarbonylContact C-O 3.44Å; F57-Y150 WeakPolarHBondContact CA-O 3.31Å; F57-Y150 HydrophobicContact CD1-CD2 4.27Å; F57-Y150 HydrophobicContact CD1-CG 4.34Å; F57-Y150 AromaticContact CE1-CD2 3.79Å; F57-Y150 HydrophobicContact CE1-CD2 3.79Å; F57-Y150 HydrophobicContact CE1-CG 4.1Å; F57-Y150 HydrophobicContact CZ-CD2 4.31Å; F57-I152 HydrophobicContact CB-CD1 4.14Å; F57-I152 HydrophobicContact CB-CG1 3.76Å; F57-I152 HydrophobicContact CD1-CD1 3.78Å; F57-I152 HydrophobicContact CD1-CG1 4.24Å; F57-I152 HydrophobicContact CG-CD1 4.36Å; F57-I152 HydrophobicContact CG-CG1 4.48Å; F57-I156 HydrophobicContact CB-CD1 3.46Å; F57-I156 VanDerWaalsContact CB-CD1 3.46Å; F57-I156 HydrophobicContact CG-CD1 4.41Å
58	A	93.8	Very high	91.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	118.5	-171.7	0	0	0	0	0	112.1	L30 F33 L149 Y150 K151 I152	L30-A58 HydrophobicContact CD1-CB 4.09Å; L30-A58 HydrophobicContact CD2-CB 3.92Å; F33-A58 HydrophobicContact CD1-CB 3.51Å; F33-A58 HydrophobicContact CE1-CB 3.56Å; F33-A58 HydrophobicContact CG-CB 4.01Å; F33-A58 HydrophobicContact CZ-CB 4.1Å; A58-L149 HydrophobicContact CB-CD1 3.55Å; A58-Y150 PolarHBondContact N-O 3.14Å; A58-K151 CarbonylContact O-C 3.59Å; A58-K151 WeakPolarHBondContact O-CA 3.24Å; A58-I152 PolarHBondContact O-N 2.78Å
59	P	94.5	Very high	91.3	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	137.5	172.4	-19.9	33.1	0	0	0	112	L30 V63 F64 I152	L30-P59 WeakPolarHBondContact CD2-O 3.19Å; P59-V63 HydrophobicContact CB-CB 4Å; P59-V63 HydrophobicContact CB-CG1 4.1Å; P59-V63 HydrophobicContact CB-CG2 4.2Å; P59-F64 HydrophobicContact CB-CE2 3.9Å; P59-F64 HydrophobicContact CB-CZ 4.12Å; P59-F64 HydrophobicContact CG-CZ 4.46Å; P59-I152 WeakPolarHBondContact CA-O 3.45Å
60	I	93.6	Very high	91.2	Very high	18 Å²	18	49.2 Å²	49.2	9%	0.092	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-74.3	159.3	172.8	64.2	170.5	0	0	0	111.7	D29 L30 D62 V63 F64 K151 I152	D29-I60 CarbonylContact O-C 3.54Å; D29-I60 WeakPolarHBondContact O-CA 3.33Å; L30-I60 HydrophobicContact CD2-CG2 4.11Å; I60-D62 HydrophobicContact CD1-CB 3.98Å; I60-D62 HydrophobicContact CG1-CB 4.17Å; I60-D62 PolarHBondContact O-N 3.16Å; I60-D62 VanDerWaalsContact O-N 3.12Å; I60-V63 HydrophobicContact CG1-CG2 3.89Å; I60-V63 VanDerWaalsContact O-CB 3.28Å; I60-V63 WeakPolarHBondContact O-CB 3.3Å; I60-V63 PolarHBondContact O-N 3.4Å; I60-F64 WeakPolarHBondContact O-CD2 3.48Å; I60-K151 HydrophobicContact CG2-CB 4.02Å; I60-K151 HydrophobicContact CG2-CD 4.21Å; I60-K151 HydrophobicContact CG2-CG 4.33Å; I60-I152 PolarHBondContact N-O 2.71Å
61	N	94.3	Very high	91.5	Very high	37 Å²	37	50 Å²	50	20%	0.198	25%	0.248	C	C	.	.	H	α-helix	trans	-49.3	-40.1	179.4	-70.3	-18	0	0	0	113.1	D28 D29 S31 E32 V63 F64 V65	D28-N61 PolarHBondContact O-ND2 3.04Å; D29-N61 PolarHBondContact O-N 3.4Å; D29-N61 PolarHBondContact O-ND2 2.87Å; D29-N61 PolarHBondContact O-OD1 3.24Å; S31-N61 PolarHBondContact N-OD1 3.03Å; S31-N61 PolarHBondContact OG-ND2 3.46Å; S31-N61 PolarHBondContact OG-OD1 2.76Å; E32-N61 WeakPolarHBondContact CB-OD1 3.28Å; E32-N61 PolarHBondContact N-OD1 2.92Å; N61-V63 PolarHBondContact O-N 2.94Å; N61-F64 WeakPolarHBondContact O-CB 3.44Å; N61-F64 PolarHBondContact O-N 3.38Å; N61-V65 PolarHBondContact O-N 2.89Å; N61-V65 VanDerWaalsContact O-N 3.16Å
62	D	93.9	Very high	91.7	Very high	94 Å²	94	46 Å²	46	50%	0.503	25%	0.248	S	C	.	.	H	α-helix	trans	-58.8	-30.3	177.6	-71.1	-10.9	0	0	0	113.4	I60 F64 V65 R66	I60-D62 HydrophobicContact CD1-CB 3.98Å; I60-D62 HydrophobicContact CG1-CB 4.17Å; I60-D62 PolarHBondContact O-N 3.16Å; I60-D62 VanDerWaalsContact O-N 3.12Å; D62-F64 VanDerWaalsContact C-N 3.33Å; D62-V65 PolarHBondContact O-N 3.28Å; D62-R66 WeakPolarHBondContact O-CG 3.41Å; D62-R66 PolarHBondContact O-N 3.21Å
63	V	93.7	Very high	91.8	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-64.1	-42.3	175.3	-178.3	0	0	0	0	110.1	P59 I60 N61 V65 R66 F67 C153 P155	P59-V63 HydrophobicContact CB-CB 4Å; P59-V63 HydrophobicContact CB-CG1 4.1Å; P59-V63 HydrophobicContact CB-CG2 4.2Å; I60-V63 HydrophobicContact CG1-CG2 3.89Å; I60-V63 VanDerWaalsContact O-CB 3.28Å; I60-V63 WeakPolarHBondContact O-CB 3.3Å; I60-V63 PolarHBondContact O-N 3.4Å; N61-V63 PolarHBondContact O-N 2.94Å; V63-V65 VanDerWaalsContact C-N 3.27Å; V63-V65 PolarHBondContact O-N 3.24Å; V63-R66 PolarHBondContact O-N 2.95Å; V63-F67 HydrophobicContact CG1-CD2 4.16Å; V63-F67 WeakPolarHBondContact O-CB 3.41Å; V63-F67 PolarHBondContact O-N 3.27Å; V63-C153 VanDerWaalsContact CG2-C 3.42Å; V63-C153 WeakPolarHBondContact CG2-O 3.45Å; V63-P155 HydrophobicContact CG1-CB 4.47Å
64	F	94.5	Very high	91.8	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-73	-18.4	177.9	-60.6	-84.3	0	0	0	113.6	E32 F33 I36 P59 I60 N61 D62 V70 R71 M73	E32-F64 HydrophobicContact CB-CB 4.33Å; E32-F64 HydrophobicContact CB-CD1 4.41Å; E32-F64 HydrophobicContact CB-CD2 3.5Å; E32-F64 HydrophobicContact CB-CE2 3.77Å; E32-F64 HydrophobicContact CB-CG 3.84Å; E32-F64 HydrophobicContact CB-CZ 4.33Å; E32-F64 HydrophobicContact CG-CB 4.33Å; E32-F64 HydrophobicContact CG-CD2 4.3Å; E32-F64 HydrophobicContact CG-CG 4.37Å; F33-F64 HydrophobicContact CB-CE2 4.12Å; F33-F64 HydrophobicContact CB-CZ 4.13Å; F33-F64 HydrophobicContact CD2-CZ 4.46Å; I36-F64 HydrophobicContact CD1-CD1 4.34Å; I36-F64 HydrophobicContact CD1-CE1 3.44Å; I36-F64 VanDerWaalsContact CD1-CE1 3.44Å; I36-F64 HydrophobicContact CD1-CZ 3.94Å; P59-F64 HydrophobicContact CB-CE2 3.9Å; P59-F64 HydrophobicContact CB-CZ 4.12Å; P59-F64 HydrophobicContact CG-CZ 4.46Å; I60-F64 WeakPolarHBondContact O-CD2 3.48Å; N61-F64 WeakPolarHBondContact O-CB 3.44Å; N61-F64 PolarHBondContact O-N 3.38Å; D62-F64 VanDerWaalsContact C-N 3.33Å; F64-V70 HydrophobicContact CD1-CB 4.24Å; F64-V70 HydrophobicContact CD1-CG1 4.08Å; F64-V70 HydrophobicContact CE1-CB 4.4Å; F64-V70 HydrophobicContact CE1-CG1 3.77Å; F64-R71 HydrophobicContact CB-CG 4.09Å; F64-R71 HydrophobicContact CD1-CG 3.9Å; F64-R71 HydrophobicContact CG-CG 4.46Å; F64-R71 PolarHBondContact O-NE 2.89Å; F64-R71 PolarHBondContact O-NH2 2.95Å; F64-M73 HydrophobicContact CE1-CE 3.72Å; F64-M73 HydrophobicContact CZ-CE 4.01Å
65	V	93.8	Very high	91.8	Very high	101 Å²	101	49.1 Å²	49.1	61%	0.612	26%	0.256	S	S	*	.	H	α-helix	trans	-78.8	-46.2	170.5	177.4	0	0	0	0	110.1	N61 D62 V63	N61-V65 PolarHBondContact O-N 2.89Å; N61-V65 VanDerWaalsContact O-N 3.16Å; D62-V65 PolarHBondContact O-N 3.28Å; V63-V65 VanDerWaalsContact C-N 3.27Å; V63-V65 PolarHBondContact O-N 3.24Å
66	R	91.4	Very high	91.6	Very high	142 Å²	142	55.1 Å²	55.1	54%	0.536	28%	0.282	S	S	.	.	H	α-helix	trans	-72	-34.6	179.8	-70.1	-167.4	-67.9	-132.6	3	113.7	D62 V63 C153	D62-R66 WeakPolarHBondContact O-CG 3.41Å; D62-R66 PolarHBondContact O-N 3.21Å; V63-R66 PolarHBondContact O-N 2.95Å; R66-C153 PolarHBondContact NH2-O 3.29Å
67	F	91.3	Very high	91.4	Very high	88 Å²	88	57.5 Å²	57.5	39%	0.386	29%	0.293	S	S	.	.			trans	-126.5	79.8	-176.4	-57	-82.9	0	0	0	109.4	V63 D69 V70 P155	V63-F67 HydrophobicContact CG1-CD2 4.16Å; V63-F67 WeakPolarHBondContact O-CB 3.41Å; V63-F67 PolarHBondContact O-N 3.27Å; F67-D69 PolarHBondContact O-N 3.01Å; F67-V70 HydrophobicContact CB-CG2 3.74Å; F67-V70 WeakPolarHBondContact O-CB 3.45Å; F67-V70 WeakPolarHBondContact O-CG2 3.43Å; F67-V70 PolarHBondContact O-N 2.95Å; F67-V70 VanDerWaalsContact O-N 3.11Å; F67-P155 HydrophobicContact CD1-CG 4.28Å; F67-P155 HydrophobicContact CD2-CG 3.96Å; F67-P155 HydrophobicContact CE1-CG 4.34Å; F67-P155 VanDerWaalsContact CE2-CD 3.46Å; F67-P155 HydrophobicContact CE2-CG 4.02Å; F67-P155 HydrophobicContact CG-CG 4.09Å; F67-P155 HydrophobicContact CZ-CG 4.21Å
68	P	91.1	Very high	91.3	Very high	77 Å²	77	57.5 Å²	57.5	50%	0.5	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-61.4	-27.9	-175.1	24	-34	0	0	0	113.3	V70 R71	P68-V70 PolarHBondContact O-N 3.33Å; P68-V70 VanDerWaalsContact O-N 3.13Å; P68-R71 VanDerWaalsContact O-CB 3.29Å; P68-R71 WeakPolarHBondContact O-CB 3.31Å; P68-R71 WeakPolarHBondContact O-CG 3.45Å; P68-R71 PolarHBondContact O-N 3.25Å
69	D	87.5	Confident	91.2	Very high	101 Å²	101	58.2 Å²	58.2	54%	0.54	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-55.7	-29.4	175.9	-58.5	-15.3	0	0	0	112.8	F67 R71 S72 R181	F67-D69 PolarHBondContact O-N 3.01Å; D69-R71 PolarHBondContact O-N 3.25Å; D69-S72 PolarHBondContact O-N 3.44Å; D69-S72 PolarHBondContact O-OG 3.31Å; D69-S72 VanDerWaalsContact O-OG 3.07Å; D69-R181 IonicContact OD2-NH2 3Å; D69-R181 PolarHBondContact OD2-NH2 3.25Å
70	V	87.6	Confident	91.1	Very high	25 Å²	25	59.1 Å²	59.1	15%	0.152	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-69.9	-14.5	-179.2	-175.1	0	0	0	0	111.2	F64 F67 P68 S72 M73 P155	F64-V70 HydrophobicContact CD1-CB 4.24Å; F64-V70 HydrophobicContact CD1-CG1 4.08Å; F64-V70 HydrophobicContact CE1-CB 4.4Å; F64-V70 HydrophobicContact CE1-CG1 3.77Å; F67-V70 HydrophobicContact CB-CG2 3.74Å; F67-V70 WeakPolarHBondContact O-CB 3.45Å; F67-V70 WeakPolarHBondContact O-CG2 3.43Å; F67-V70 PolarHBondContact O-N 2.95Å; F67-V70 VanDerWaalsContact O-N 3.11Å; P68-V70 PolarHBondContact O-N 3.33Å; P68-V70 VanDerWaalsContact O-N 3.13Å; V70-S72 VanDerWaalsContact C-N 3.29Å; V70-S72 PolarHBondContact O-N 2.82Å; V70-M73 HydrophobicContact CG1-CE 3.32Å; V70-M73 HydrophobicContact CG1-CG 4.23Å; V70-M73 HydrophobicContact CG1-SD 3.85Å; V70-M73 WeakPolarHBondContact O-CE 3.01Å; V70-M73 VanDerWaalsContact O-CG 3.29Å; V70-M73 WeakPolarHBondContact O-CG 3.33Å; V70-P155 HydrophobicContact CG2-CB 4.21Å
71	R	89.6	Confident	91.1	Very high	108 Å²	108	58.7 Å²	58.7	41%	0.408	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-70.5	-24.3	178.2	-64.7	179.7	-174.3	-157.5	-3	113.6	F64 P68 D69 M73	F64-R71 HydrophobicContact CB-CG 4.09Å; F64-R71 HydrophobicContact CD1-CG 3.9Å; F64-R71 HydrophobicContact CG-CG 4.46Å; F64-R71 PolarHBondContact O-NE 2.89Å; F64-R71 PolarHBondContact O-NH2 2.95Å; P68-R71 VanDerWaalsContact O-CB 3.29Å; P68-R71 WeakPolarHBondContact O-CB 3.31Å; P68-R71 WeakPolarHBondContact O-CG 3.45Å; P68-R71 PolarHBondContact O-N 3.25Å; D69-R71 PolarHBondContact O-N 3.25Å; R71-M73 VanDerWaalsContact C-N 3.34Å
72	S	87.7	Confident	91.1	Very high	96 Å²	96	57 Å²	57	67%	0.671	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-97.9	31.1	179.5	57.1	0	0	0	0	112.6	D69 V70 T74	D69-S72 PolarHBondContact O-N 3.44Å; D69-S72 PolarHBondContact O-OG 3.31Å; D69-S72 VanDerWaalsContact O-OG 3.07Å; V70-S72 VanDerWaalsContact C-N 3.29Å; V70-S72 PolarHBondContact O-N 2.82Å; S72-T74 PolarHBondContact O-N 3.02Å
73	M	89.6	Confident	91	Very high	14 Å²	14	52.5 Å²	52.5	7%	0.069	27%	0.27	C	S	.	.			trans	-58.8	126.4	177.7	-87.2	-173	-73.4	0	0	110.9	I36 Y40 F64 V70 R71 E77 H81	I36-M73 HydrophobicContact CD1-CE 3.89Å; I36-M73 HydrophobicContact CG2-CB 4.4Å; Y40-M73 PolarHBondContact OH-O 3.26Å; F64-M73 HydrophobicContact CE1-CE 3.72Å; F64-M73 HydrophobicContact CZ-CE 4.01Å; V70-M73 HydrophobicContact CG1-CE 3.32Å; V70-M73 HydrophobicContact CG1-CG 4.23Å; V70-M73 HydrophobicContact CG1-SD 3.85Å; V70-M73 WeakPolarHBondContact O-CE 3.01Å; V70-M73 VanDerWaalsContact O-CG 3.29Å; V70-M73 WeakPolarHBondContact O-CG 3.33Å; R71-M73 VanDerWaalsContact C-N 3.34Å; M73-E77 WeakPolarHBondContact CA-OE2 3.31Å; M73-E77 HydrophobicContact CB-CB 4.3Å; M73-E77 HydrophobicContact CG-CB 4.15Å; M73-H81 PolarHBondContact SD-NE2 3.49Å; M73-H81 VanDerWaalsContact SD-NE2 3.44Å
74	T	89.4	Confident	90.9	Very high	61 Å²	61	56.4 Å²	56.4	37%	0.374	29%	0.291	S	S	.	.			trans	-68.1	159.7	172.2	62.8	0	0	0	0	110.7	S72 K76 E77 L78	S72-T74 PolarHBondContact O-N 3.02Å; T74-K76 PolarHBondContact O-N 3.13Å; T74-E77 PolarHBondContact N-OE2 3.14Å; T74-E77 PolarHBondContact O-N 3.49Å; T74-E77 WeakPolarHBondContact OG1-CG 3.46Å; T74-E77 PolarHBondContact OG1-N 2.99Å; T74-E77 PolarHBondContact OG1-OE2 2.91Å; T74-L78 PolarHBondContact O-N 3.25Å
75	Q	90.7	Very high	90.6	Very high	69 Å²	69	63.5 Å²	63.5	32%	0.322	32%	0.318	S	S	.	.	H	α-helix	trans	-50.4	-37.2	172	-171.3	-179.4	-58.7	0	0	111.9	Y40 L79	Y40-Q75 HydrophobicContact CD1-CB 3.61Å; Y40-Q75 HydrophobicContact CD1-CG 3.91Å; Y40-Q75 HydrophobicContact CD2-CB 4.1Å; Y40-Q75 HydrophobicContact CD2-CG 4.38Å; Y40-Q75 HydrophobicContact CE1-CB 3.68Å; Y40-Q75 HydrophobicContact CE1-CG 4.48Å; Y40-Q75 HydrophobicContact CE2-CB 4.12Å; Y40-Q75 HydrophobicContact CG-CB 3.83Å; Y40-Q75 HydrophobicContact CG-CG 3.85Å; Y40-Q75 VanDerWaalsContact CZ-N 3.28Å; Y40-Q75 PolarHBondContact OH-N 3.35Å; Q75-L79 HydrophobicContact CG-CD1 4.22Å; Q75-L79 VanDerWaalsContact O-CG 3.29Å; Q75-L79 WeakPolarHBondContact O-CG 3.45Å; Q75-L79 PolarHBondContact O-N 2.91Å
76	K	87.7	Confident	90.3	Very high	125 Å²	125	61.9 Å²	61.9	54%	0.543	30%	0.304	S	S	.	.	H	α-helix	trans	-66.7	-39	179.5	-78.2	-173.3	-177.7	179	0	112.8	T74 K107	T74-K76 PolarHBondContact O-N 3.13Å; K76-K107 HydrophobicContact CB-CD 4.28Å; K76-K107 VanDerWaalsContact O-CD 3.3Å; K76-K107 WeakPolarHBondContact O-CD 3.18Å
77	E	89.6	Confident	90	Very high	51 Å²	51	55.1 Å²	55.1	24%	0.238	28%	0.278	C	S	.	.	H	α-helix	trans	-73.1	-43.8	175.9	-72.6	160.1	155	0	0	110.3	M73 T74 L79 G80 H81 E159	M73-E77 WeakPolarHBondContact CA-OE2 3.31Å; M73-E77 HydrophobicContact CB-CB 4.3Å; M73-E77 HydrophobicContact CG-CB 4.15Å; T74-E77 PolarHBondContact N-OE2 3.14Å; T74-E77 PolarHBondContact O-N 3.49Å; T74-E77 WeakPolarHBondContact OG1-CG 3.46Å; T74-E77 PolarHBondContact OG1-N 2.99Å; T74-E77 PolarHBondContact OG1-OE2 2.91Å; E77-L79 VanDerWaalsContact C-N 3.35Å; E77-L79 PolarHBondContact O-N 3.38Å; E77-G80 WeakPolarHBondContact O-CA 3.49Å; E77-G80 PolarHBondContact O-N 3.14Å; E77-H81 PolarHBondContact O-CD2 2.93Å; E77-E159 HydrophobicContact CG-CB 4.17Å
78	L	92.1	Very high	89.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-55.2	-47.3	176.7	179.4	66.7	0	0	0	112	F33 I36 V37 Y40 S43 T74 G80 H81 F82	F33-L78 HydrophobicContact CD2-CD1 4.28Å; F33-L78 HydrophobicContact CE2-CD1 3.5Å; F33-L78 VanDerWaalsContact CE2-CD1 3.5Å; F33-L78 HydrophobicContact CZ-CD1 3.89Å; I36-L78 HydrophobicContact CG2-CD1 4.16Å; I36-L78 HydrophobicContact CG2-CD2 4.21Å; V37-L78 HydrophobicContact CG2-CD1 4.07Å; V37-L78 HydrophobicContact CG2-CD2 4.29Å; Y40-L78 HydrophobicContact CD2-CD2 3.79Å; S43-L78 WeakPolarHBondContact OG-CD2 3.27Å; T74-L78 PolarHBondContact O-N 3.25Å; L78-G80 PolarHBondContact O-N 2.84Å; L78-H81 VanDerWaalsContact O-CB 3.26Å; L78-H81 WeakPolarHBondContact O-CB 3.24Å; L78-H81 PolarHBondContact O-CD2 3.31Å; L78-H81 PolarHBondContact O-N 2.74Å; L78-F82 HydrophobicContact CD1-CE2 4.3Å; L78-F82 HydrophobicContact CG-CE2 4.21Å; L78-F82 VanDerWaalsContact O-CD2 3.28Å; L78-F82 WeakPolarHBondContact O-CD2 3.11Å
79	L	92.4	Very high	88.4	Confident	14 Å²	14	51.8 Å²	51.8	7%	0.073	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-65.7	-16.3	177.4	-68.7	174.7	0	0	0	113.3	V42 Y46 Q75 E77 H81 F82 V106 K107	V42-L79 HydrophobicContact CG1-CD1 4.12Å; V42-L79 HydrophobicContact CG1-CD2 4.34Å; Y46-L79 HydrophobicContact CD2-CD2 4.08Å; Y46-L79 HydrophobicContact CE2-CD2 4.17Å; Q75-L79 HydrophobicContact CG-CD1 4.22Å; Q75-L79 VanDerWaalsContact O-CG 3.29Å; Q75-L79 WeakPolarHBondContact O-CG 3.45Å; Q75-L79 PolarHBondContact O-N 2.91Å; E77-L79 VanDerWaalsContact C-N 3.35Å; E77-L79 PolarHBondContact O-N 3.38Å; L79-H81 PolarHBondContact O-N 3.5Å; L79-F82 PolarHBondContact O-N 2.77Å; L79-V106 HydrophobicContact CD2-CG1 4.45Å; L79-K107 HydrophobicContact CB-CB 4.27Å
80	G	91.5	Very high	87.5	Confident	20 Å²	20	47.4 Å²	47.4	21%	0.206	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-66.8	-19.8	169.3	0	0	0	0	0	113.4	E77 L78 F82 T105 M111	E77-G80 WeakPolarHBondContact O-CA 3.49Å; E77-G80 PolarHBondContact O-N 3.14Å; L78-G80 PolarHBondContact O-N 2.84Å; G80-F82 PolarHBondContact O-N 3.42Å; G80-T105 WeakPolarHBondContact O-CG2 3.38Å; G80-M111 WeakPolarHBondContact O-CE 3.49Å
81	H	93.4	Very high	86.4	Confident	10 Å²	10	49.4 Å²	49.4	5%	0.046	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-78.3	-9.5	174	-67.3	-105.9	0	0	0	113.3	F33 V56 F57 M73 E77 L78 L79 I156	F33-H81 HydrophobicContact CE2-CB 4.47Å; F33-H81 HydrophobicContact CZ-CB 4.45Å; V56-H81 WeakPolarHBondContact CA-O 3.23Å; F57-H81 PolarHBondContact N-O 3.46Å; F57-H81 WeakPolarHBondContact O-CB 3.44Å; F57-H81 PolarHBondContact O-ND1 3.49Å; M73-H81 PolarHBondContact SD-NE2 3.49Å; M73-H81 VanDerWaalsContact SD-NE2 3.44Å; E77-H81 PolarHBondContact O-CD2 2.93Å; L78-H81 VanDerWaalsContact O-CB 3.26Å; L78-H81 WeakPolarHBondContact O-CB 3.24Å; L78-H81 PolarHBondContact O-CD2 3.31Å; L78-H81 PolarHBondContact O-N 2.74Å; L79-H81 PolarHBondContact O-N 3.5Å; H81-I156 VanDerWaalsContact ND1-CD1 3.26Å; H81-I156 WeakPolarHBondContact ND1-CD1 3.42Å
82	F	94	Very high	85.1	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	115.6	-172.4	-70.6	-122.5	0	0	0	109	F33 L47 L54 V56 L78 L79 G80 T105 V106	F33-F82 HydrophobicContact CZ-CE2 4.3Å; L47-F82 HydrophobicContact CD1-CE1 4.5Å; L47-F82 HydrophobicContact CD1-CZ 4.32Å; L47-F82 HydrophobicContact CD2-CE1 3.66Å; L47-F82 HydrophobicContact CD2-CZ 4.07Å; L47-F82 HydrophobicContact CG-CE1 3.85Å; L47-F82 HydrophobicContact CG-CZ 4.16Å; L54-F82 HydrophobicContact CD1-CB 4Å; L54-F82 HydrophobicContact CD1-CD1 4.04Å; L54-F82 HydrophobicContact CD1-CG 4.49Å; L54-F82 HydrophobicContact CD2-CD1 3.81Å; L54-F82 HydrophobicContact CD2-CE1 4.23Å; L54-F82 HydrophobicContact CG-CD1 4.43Å; V56-F82 HydrophobicContact CG1-CD2 4.39Å; V56-F82 HydrophobicContact CG1-CE2 4.16Å; V56-F82 HydrophobicContact CG1-CZ 4.31Å; V56-F82 HydrophobicContact CG2-CD1 3.88Å; V56-F82 HydrophobicContact CG2-CE1 3.98Å; V56-F82 HydrophobicContact CG2-CG 4.22Å; V56-F82 HydrophobicContact CG2-CZ 4.4Å; L78-F82 HydrophobicContact CD1-CE2 4.3Å; L78-F82 HydrophobicContact CG-CE2 4.21Å; L78-F82 VanDerWaalsContact O-CD2 3.28Å; L78-F82 WeakPolarHBondContact O-CD2 3.11Å; L79-F82 PolarHBondContact O-N 2.77Å; G80-F82 PolarHBondContact O-N 3.42Å; F82-T105 CarbonylContact O-C 3.56Å; F82-T105 WeakPolarHBondContact O-CA 3.39Å; F82-T105 WeakPolarHBondContact O-CB 3.4Å; F82-V106 HydrophobicContact CB-CB 4.1Å; F82-V106 HydrophobicContact CB-CG2 3.68Å; F82-V106 PolarHBondContact O-N 2.89Å
83	V	93.3	Very high	83.7	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.6	177.6	172.1	0	0	0	0	109.5	L54 T55 F57 R85 L103 N104 M111	L54-V83 WeakPolarHBondContact CA-O 3.34Å; L54-V83 VanDerWaalsContact CD1-O 3.26Å; L54-V83 WeakPolarHBondContact CD1-O 3.38Å; T55-V83 PolarHBondContact N-O 2.8Å; T55-V83 PolarHBondContact O-N 2.82Å; F57-V83 HydrophobicContact CD2-CG2 4.13Å; F57-V83 HydrophobicContact CE2-CG2 3.82Å; V83-R85 HydrophobicContact CG1-CB 4.29Å; V83-R85 PolarHBondContact O-N 3.05Å; V83-L103 HydrophobicContact CG1-CB 3.81Å; V83-L103 HydrophobicContact CG1-CD1 3.87Å; V83-L103 HydrophobicContact CG1-CG 4.41Å; V83-N104 WeakPolarHBondContact CA-O 3.41Å; V83-M111 HydrophobicContact CG2-CB 3.9Å; V83-M111 HydrophobicContact CG2-CE 4.47Å; V83-M111 HydrophobicContact CG2-CG 3.91Å
84	D	91.1	Very high	82.2	Confident	82 Å²	82	52.5 Å²	52.5	44%	0.439	27%	0.269	S	S	.	.	S	Bend	trans	-77.2	23.5	-174.4	69.3	-8.4	0	0	0	114.4	A53 N104	A53-D84 CarbonylContact O-C 3.13Å; D84-N104 PolarHBondContact N-O 3.48Å; D84-N104 VanDerWaalsContact N-O 3.14Å; D84-N104 WeakPolarHBondContact OD2-CB 3.5Å
85	R	88.9	Confident	80.4	Confident	150 Å²	150	55.4 Å²	55.4	57%	0.566	28%	0.278	S	S	*	.	S	Bend	trans	-147.8	145.9	-176.3	-171.1	175.8	177.5	172.2	-0.4	111	A53 T55 V83	A53-R85 WeakPolarHBondContact O-CA 3.49Å; A53-R85 PolarHBondContact O-N 3.22Å; A53-R85 VanDerWaalsContact O-N 3.16Å; T55-R85 VanDerWaalsContact CB-O 3.31Å; T55-R85 WeakPolarHBondContact CB-O 3.44Å; T55-R85 PolarHBondContact N-O 2.88Å; T55-R85 PolarHBondContact OG1-O 2.84Å; V83-R85 HydrophobicContact CG1-CB 4.29Å; V83-R85 PolarHBondContact O-N 3.05Å
86	Q	87.3	Confident	78.5	Confident	66 Å²	66	59.7 Å²	59.7	31%	0.308	31%	0.309	S	S	.	.			trans	-72.5	135.8	169.7	-68.2	175	-12.8	0	0	111.5	A53 T55 P88 S146 Y148	A53-Q86 HydrophobicContact CB-CG 4.01Å; T55-Q86 WeakPolarHBondContact OG1-CA 3.44Å; Q86-P88 WeakPolarHBondContact O-CD 3.23Å; Q86-S146 VanDerWaalsContact CG-O 3.27Å; Q86-S146 WeakPolarHBondContact CG-O 3.5Å; Q86-S146 VanDerWaalsContact NE2-C 3.31Å; Q86-S146 VanDerWaalsContact NE2-CB 3.29Å; Q86-S146 PolarHBondContact NE2-O 3.18Å; Q86-Y148 HydrophobicContact CB-CD2 4.07Å; Q86-Y148 HydrophobicContact CB-CE2 3.95Å; Q86-Y148 HydrophobicContact CG-CD2 3.99Å; Q86-Y148 HydrophobicContact CG-CE2 3.89Å
87	L	84.4	Confident	77.1	Confident	1 Å²	1	56.4 Å²	56.4	1%	0.005	30%	0.301	C	S	.	.			trans	-121.3	57.7	177.5	-62.3	170.5	0	0	0	112.3	T55 F57 Q89 L90 L103 L113 Y150	T55-L87 HydrophobicContact CG2-CB 4.38Å; T55-L87 HydrophobicContact CG2-CD1 3.98Å; T55-L87 HydrophobicContact CG2-CG 4.46Å; T55-L87 PolarHBondContact OG1-N 3.39Å; T55-L87 VanDerWaalsContact OG1-N 3.12Å; F57-L87 HydrophobicContact CE2-CD1 4.12Å; F57-L87 HydrophobicContact CZ-CD1 3.77Å; L87-Q89 PolarHBondContact O-N 3.37Å; L87-Q89 VanDerWaalsContact O-N 3.1Å; L87-L90 HydrophobicContact CB-CD1 4.25Å; L87-L90 HydrophobicContact CB-CG 4.41Å; L87-L90 HydrophobicContact CD1-CD1 4.35Å; L87-L90 PolarHBondContact O-N 2.89Å; L87-L103 HydrophobicContact CD1-CD1 3.49Å; L87-L103 VanDerWaalsContact CD1-CD1 3.49Å; L87-L103 HydrophobicContact CD2-CD1 3.55Å; L87-L103 HydrophobicContact CD2-CD2 4.17Å; L87-L103 HydrophobicContact CG-CD1 4.01Å; L87-L113 HydrophobicContact CD1-CD1 3.63Å; L87-L113 HydrophobicContact CD2-CD1 4.22Å; L87-Y150 HydrophobicContact CB-CE2 4.23Å; L87-Y150 PolarHBondContact O-OH 3.12Å
88	P	76.9	Confident	76	Confident	41 Å²	41	61.2 Å²	61.2	27%	0.266	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-62.9	-20.1	177.9	28.8	-35.7	0	0	0	112.3	Q86 L90 L91 Y148	Q86-P88 WeakPolarHBondContact O-CD 3.23Å; P88-L90 PolarHBondContact O-N 3.22Å; P88-L91 VanDerWaalsContact O-CB 3.29Å; P88-L91 WeakPolarHBondContact O-CB 3.5Å; P88-L91 PolarHBondContact O-N 2.87Å; P88-Y148 HydrophobicContact CB-CE1 3.95Å
89	Q	71.3	Confident	75.2	Confident	53 Å²	53	67.3 Å²	67.3	25%	0.248	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-60.2	-30.9	-179.4	65.8	-168.3	35.5	0	0	113.5	L87 L91 K92 E101	L87-Q89 PolarHBondContact O-N 3.37Å; L87-Q89 VanDerWaalsContact O-N 3.1Å; Q89-L91 PolarHBondContact O-N 2.81Å; Q89-K92 PolarHBondContact O-N 3.32Å; Q89-E101 PolarHBondContact NE2-OE2 3.04Å
90	L	69.6	Low	74.9	Confident	10 Å²	10	67.4 Å²	67.4	5%	0.052	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-58.4	-33.1	175	-63.5	175.7	0	0	0	109.7	F57 L87 P88 F125 W140 Y150	F57-L90 HydrophobicContact CE1-CD1 4.1Å; F57-L90 HydrophobicContact CZ-CD1 4.2Å; L87-L90 HydrophobicContact CB-CD1 4.25Å; L87-L90 HydrophobicContact CB-CG 4.41Å; L87-L90 HydrophobicContact CD1-CD1 4.35Å; L87-L90 PolarHBondContact O-N 2.89Å; P88-L90 PolarHBondContact O-N 3.22Å; L90-F125 HydrophobicContact CD2-CB 4.24Å; L90-F125 HydrophobicContact CD2-CD1 3.28Å; L90-F125 HydrophobicContact CD2-CE1 3.66Å; L90-F125 HydrophobicContact CD2-CG 3.85Å; L90-W140 HydrophobicContact CB-CH2 3.87Å; L90-W140 HydrophobicContact CB-CZ3 3.98Å; L90-W140 WeakPolarHBondContact O-CH2 3.3Å; L90-Y150 HydrophobicContact CB-CE1 4.02Å; L90-Y150 HydrophobicContact CD1-CD1 4.5Å; L90-Y150 HydrophobicContact CD1-CD2 4Å; L90-Y150 HydrophobicContact CD1-CE1 4.21Å; L90-Y150 HydrophobicContact CD1-CE2 3.7Å; L90-Y150 HydrophobicContact CD1-CG 4.4Å
91	L	64	Low	74.6	Confident	66 Å²	66	70 Å²	70	35%	0.346	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-76.6	-22.4	-176.4	-70	161.9	0	0	0	114.1	P88 Q89 W140 A141 V143 Y148 Y150	P88-L91 VanDerWaalsContact O-CB 3.29Å; P88-L91 WeakPolarHBondContact O-CB 3.5Å; P88-L91 PolarHBondContact O-N 2.87Å; Q89-L91 PolarHBondContact O-N 2.81Å; L91-W140 HydrophobicContact CB-CH2 4.29Å; L91-W140 HydrophobicContact CB-CZ2 4.4Å; L91-W140 HydrophobicContact CD2-CH2 3.47Å; L91-W140 VanDerWaalsContact CD2-CH2 3.47Å; L91-W140 HydrophobicContact CD2-CZ2 3.38Å; L91-W140 HydrophobicContact CD2-CZ3 4.23Å; L91-W140 HydrophobicContact CG-CH2 3.82Å; L91-W140 HydrophobicContact CG-CZ2 4.13Å; L91-A141 HydrophobicContact CD1-CB 4.22Å; L91-A141 HydrophobicContact CD2-CB 3.44Å; L91-A141 VanDerWaalsContact CD2-CB 3.44Å; L91-A141 HydrophobicContact CG-CB 4.08Å; L91-V143 HydrophobicContact CD1-CG2 4.12Å; L91-Y148 HydrophobicContact CD1-CD1 4.02Å; L91-Y148 HydrophobicContact CD1-CE1 3.75Å; L91-Y150 HydrophobicContact CD2-CE1 4.49Å; L91-Y150 HydrophobicContact CG-CE1 4.29Å
92	K	63.2	Low	74.2	Confident	177 Å²	177	75.5 Å²	75.5	77%	0.77	38%	0.377	S	S	*	.	S	Bend	trans	-99.9	-0.8	-164.3	-70.6	-174.3	177	-179	0	115.4	Q89	Q89-K92 PolarHBondContact O-N 3.32Å
93	G	57.7	Low	74	Confident	38 Å²	38	76 Å²	76	39%	0.392	38%	0.38	S	S	.	.			trans	72.8	164.7	-172.6	0	0	0	0	0	112.2
94	P	56.9	Low	73.8	Confident	69 Å²	69	79.7 Å²	79.7	45%	0.448	40%	0.4	S	S	.	.			trans	-79.9	152.1	-137.9	36.5	-44	0	0	0	115.9	M115 F123	P94-M115 HydrophobicContact CB-CE 3.66Å; P94-M115 HydrophobicContact CB-SD 3.91Å; P94-F123 HydrophobicContact CB-CD1 4.28Å; P94-F123 HydrophobicContact CB-CD2 4.37Å; P94-F123 HydrophobicContact CB-CE1 3.81Å; P94-F123 HydrophobicContact CB-CE2 3.94Å; P94-F123 HydrophobicContact CB-CZ 3.69Å; P94-F123 VanDerWaalsContact CD-CE2 3.48Å; P94-F123 HydrophobicContact CG-CD2 4.23Å; P94-F123 HydrophobicContact CG-CE1 3.98Å; P94-F123 HydrophobicContact CG-CE2 3.43Å; P94-F123 VanDerWaalsContact CG-CE2 3.43Å; P94-F123 HydrophobicContact CG-CZ 3.32Å
95	H	51.8	Low	73.8	Confident	122 Å²	122	76 Å²	76	57%	0.565	38%	0.38	S	S	*	.			trans	-82.4	157.6	155.1	-72.4	-73	0	0	0	111.3	S97	H95-S97 PolarHBondContact O-N 2.96Å
96	T	51.9	Low	73.7	Confident	159 Å²	159	70.4 Å²	70.4	98%	0.975	36%	0.362	S	S	*	.	S	Bend	trans	-65.4	0.1	-174.8	37.4	0	0	0	0	116.4
97	S	57.5	Low	73.4	Confident	55 Å²	55	70.4 Å²	70.4	39%	0.385	36%	0.362	S	S	.	.			trans	-106.7	117.3	-169.3	154.1	0	0	0	0	112.3	H95 K99	H95-S97 PolarHBondContact O-N 2.96Å; S97-K99 PolarHBondContact O-N 2.9Å; S97-K99 PolarHBondContact OG-N 2.92Å
98	K	67.3	Low	72.8	Confident	152 Å²	152	76 Å²	76	66%	0.661	40%	0.4	S	S	*	.			trans	-77.2	9.3	169.6	-62.5	-172.7	178.6	-173	0	113.7	R247	K98-R247 PolarHBondContact O-NH1 3.08Å
99	K	75.5	Confident	73.1	Confident	128 Å²	128	74.7 Å²	74.7	56%	0.557	40%	0.395	S	S	*	.	S	Bend	trans	-85.5	151.7	-178.7	-65.7	-172.3	176.8	-174.2	0	110.7	S97	S97-K99 PolarHBondContact O-N 2.9Å; S97-K99 PolarHBondContact OG-N 2.92Å
100	T	85.2	Confident	73.9	Confident	17 Å²	17	74.5 Å²	74.5	10%	0.104	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-73.7	126.6	174.1	-49	0	0	0	0	110	Y112 L113 G246 V248	T100-Y112 HydrophobicContact CG2-CD1 4.27Å; T100-L113 WeakPolarHBondContact CA-O 2.88Å; T100-L113 WeakPolarHBondContact CG2-O 3.41Å; T100-G246 PolarHBondContact N-O 2.83Å; T100-G246 PolarHBondContact OG1-O 3.12Å; T100-V248 HydrophobicContact CG2-CB 4.01Å; T100-V248 PolarHBondContact OG1-N 2.83Å
101	E	85.6	Confident	74.9	Confident	75 Å²	75	74 Å²	74	35%	0.35	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	148.9	170.8	-66.2	-173.9	-179.6	0	0	109.6	Q89 Y112 L113	Q89-E101 PolarHBondContact NE2-OE2 3.04Å; E101-Y112 CarbonylContact O-C 3.23Å; E101-Y112 WeakPolarHBondContact O-CA 3.34Å; E101-L113 HydrophobicContact CB-CB 4.33Å; E101-L113 PolarHBondContact N-O 3.42Å; E101-L113 PolarHBondContact O-N 2.95Å
102	Y	85.8	Confident	76.2	Confident	124 Å²	124	70.9 Å²	70.9	49%	0.486	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143	174.8	68.4	-83.3	0	0	0	109.2	M111 F213	Y102-M111 CarbonylContact C-O 3.47Å; Y102-M111 WeakPolarHBondContact CA-O 3.33Å; Y102-F213 HydrophobicContact CD1-CD2 4Å; Y102-F213 HydrophobicContact CD1-CE1 4.32Å; Y102-F213 AromaticContact CD1-CE2 3.18Å; Y102-F213 HydrophobicContact CD1-CE2 3.18Å; Y102-F213 AromaticContact CD1-CZ 3.36Å; Y102-F213 HydrophobicContact CD1-CZ 3.36Å; Y102-F213 HydrophobicContact CD2-CE1 4.42Å; Y102-F213 HydrophobicContact CD2-CE2 4.36Å; Y102-F213 AromaticContact CD2-CZ 3.7Å; Y102-F213 HydrophobicContact CD2-CZ 3.7Å; Y102-F213 HydrophobicContact CE1-CD2 4.36Å; Y102-F213 AromaticContact CE1-CE2 3.29Å; Y102-F213 HydrophobicContact CE1-CE2 3.29Å; Y102-F213 AromaticContact CE1-CZ 3.62Å; Y102-F213 HydrophobicContact CE1-CZ 3.62Å; Y102-F213 HydrophobicContact CE2-CE2 4.44Å; Y102-F213 AromaticContact CE2-CZ 3.92Å; Y102-F213 HydrophobicContact CE2-CZ 3.92Å; Y102-F213 HydrophobicContact CG-CE1 4.07Å; Y102-F213 AromaticContact CG-CE2 3.76Å; Y102-F213 HydrophobicContact CG-CE2 3.76Å; Y102-F213 AromaticContact CG-CZ 3.4Å; Y102-F213 HydrophobicContact CG-CZ 3.4Å; Y102-F213 VanDerWaalsContact CG-CZ 3.4Å; Y102-F213 AromaticContact CZ-CE2 3.95Å; Y102-F213 AromaticContact CZ-CZ 3.87Å
103	L	88.1	Confident	77.5	Confident	11 Å²	11	63.1 Å²	63.1	6%	0.058	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	155.9	-175.9	-57.8	171.6	0	0	0	109.2	V83 L87 R110 M111 L113	V83-L103 HydrophobicContact CG1-CB 3.81Å; V83-L103 HydrophobicContact CG1-CD1 3.87Å; V83-L103 HydrophobicContact CG1-CG 4.41Å; L87-L103 HydrophobicContact CD1-CD1 3.49Å; L87-L103 VanDerWaalsContact CD1-CD1 3.49Å; L87-L103 HydrophobicContact CD2-CD1 3.55Å; L87-L103 HydrophobicContact CD2-CD2 4.17Å; L87-L103 HydrophobicContact CG-CD1 4.01Å; L103-R110 CarbonylContact O-C 3.56Å; L103-R110 VanDerWaalsContact O-CA 3.31Å; L103-R110 WeakPolarHBondContact O-CA 3.37Å; L103-M111 HydrophobicContact CB-CB 4.38Å; L103-M111 PolarHBondContact N-O 3.04Å; L103-M111 PolarHBondContact O-N 3.37Å; L103-L113 HydrophobicContact CD1-CD1 3.39Å; L103-L113 HydrophobicContact CD1-CG 3.83Å; L103-L113 HydrophobicContact CG-CD1 4.44Å
104	N	90	Very high	79	Confident	78 Å²	78	61.5 Å²	61.5	42%	0.417	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	137.2	173.4	-67.1	-28.8	0	0	0	109.2	V83 D84	V83-N104 WeakPolarHBondContact CA-O 3.41Å; D84-N104 PolarHBondContact N-O 3.48Å; D84-N104 VanDerWaalsContact N-O 3.14Å; D84-N104 WeakPolarHBondContact OD2-CB 3.5Å
105	T	90.1	Very high	80.3	Confident	4 Å²	4	60.4 Å²	60.4	3%	0.025	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-87.5	158.1	167.1	59.4	0	0	0	0	108.5	G80 F82 K107 S108 G109 M111	G80-T105 WeakPolarHBondContact O-CG2 3.38Å; F82-T105 CarbonylContact O-C 3.56Å; F82-T105 WeakPolarHBondContact O-CA 3.39Å; F82-T105 WeakPolarHBondContact O-CB 3.4Å; T105-K107 PolarHBondContact O-N 2.76Å; T105-S108 PolarHBondContact O-N 2.78Å; T105-G109 PolarHBondContact N-O 3.02Å; T105-G109 VanDerWaalsContact OG1-C 3.26Å; T105-G109 VanDerWaalsContact OG1-CA 3.26Å; T105-G109 WeakPolarHBondContact OG1-CA 3.46Å; T105-G109 PolarHBondContact OG1-N 2.84Å; T105-G109 PolarHBondContact OG1-O 3.5Å; T105-M111 HydrophobicContact CG2-CB 3.89Å; T105-M111 HydrophobicContact CG2-CE 4.4Å
106	V	87	Confident	81.8	Confident	32 Å²	32	55.3 Å²	55.3	19%	0.194	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-24.4	175.9	169.8	0	0	0	0	112.6	Y46 L54 L79 F82 S108	Y46-V106 HydrophobicContact CD1-CG1 4.26Å; Y46-V106 HydrophobicContact CD1-CG2 4.46Å; Y46-V106 HydrophobicContact CD2-CG1 4.12Å; Y46-V106 HydrophobicContact CE1-CG1 3.59Å; Y46-V106 HydrophobicContact CE1-CG2 4.31Å; Y46-V106 HydrophobicContact CE2-CG1 3.44Å; Y46-V106 VanDerWaalsContact CE2-CG1 3.44Å; Y46-V106 WeakPolarHBondContact OH-CG1 3.28Å; L54-V106 HydrophobicContact CD1-CG2 3.88Å; L79-V106 HydrophobicContact CD2-CG1 4.45Å; F82-V106 HydrophobicContact CB-CB 4.1Å; F82-V106 HydrophobicContact CB-CG2 3.68Å; F82-V106 PolarHBondContact O-N 2.89Å; V106-S108 VanDerWaalsContact C-N 3.34Å; V106-S108 PolarHBondContact O-N 3.04Å
107	K	81	Confident	83	Confident	67 Å²	67	52.4 Å²	52.4	29%	0.291	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	18.9	177.1	-160.8	-161.8	161.5	-165.3	0	113.9	K76 L79 T105 G109 E159	K76-K107 HydrophobicContact CB-CD 4.28Å; K76-K107 VanDerWaalsContact O-CD 3.3Å; K76-K107 WeakPolarHBondContact O-CD 3.18Å; L79-K107 HydrophobicContact CB-CB 4.27Å; T105-K107 PolarHBondContact O-N 2.76Å; K107-G109 PolarHBondContact O-N 3Å; K107-E159 VanDerWaalsContact NZ-CG 3.29Å; K107-E159 IonicContact NZ-OE1 3.91Å; K107-E159 PolarHBondContact NZ-OE1 3.37Å
108	S	72.2	Confident	83.8	Confident	117 Å²	117	52.3 Å²	52.3	82%	0.818	26%	0.259	S	S	*	.	S	Bend	trans	58.7	17.4	-176.2	-52.3	0	0	0	0	114.9	T105 V106	T105-S108 PolarHBondContact O-N 2.78Å; V106-S108 VanDerWaalsContact C-N 3.34Å; V106-S108 PolarHBondContact O-N 3.04Å
109	G	83.5	Confident	84.1	Confident	14 Å²	14	49.2 Å²	49.2	14%	0.144	25%	0.249	C	C	.	.			trans	-90.2	167.2	169.4	0	0	0	0	0	111.5	T105 K107 N160	T105-G109 PolarHBondContact N-O 3.02Å; T105-G109 VanDerWaalsContact OG1-C 3.26Å; T105-G109 VanDerWaalsContact OG1-CA 3.26Å; T105-G109 WeakPolarHBondContact OG1-CA 3.46Å; T105-G109 PolarHBondContact OG1-N 2.84Å; T105-G109 PolarHBondContact OG1-O 3.5Å; K107-G109 PolarHBondContact O-N 3Å; G109-N160 WeakPolarHBondContact CA-ND2 3.33Å
110	R	87.9	Confident	84.1	Confident	49 Å²	49	49.1 Å²	49.1	19%	0.185	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	139.6	175.5	-65.9	178.8	-179.1	-175.9	-5	111.9	L103 Y112 N160 S208 Q326	L103-R110 CarbonylContact O-C 3.56Å; L103-R110 VanDerWaalsContact O-CA 3.31Å; L103-R110 WeakPolarHBondContact O-CA 3.37Å; R110-Y112 HydrophobicContact CB-CE2 4.07Å; R110-Y112 WeakPolarHBondContact CD-OH 3.34Å; R110-N160 PolarHBondContact N-ND2 2.83Å; R110-N160 PolarHBondContact O-ND2 2.85Å; R110-S208 PolarHBondContact NH1-O 3.47Å; R110-S208 VanDerWaalsContact NH1-O 3.11Å; R110-S208 PolarHBondContact NH2-O 3.38Å; R110-Q326 WeakPolarHBondContact CD-O 3.45Å; R110-Q326 VanDerWaalsContact CZ-O 3.24Å; R110-Q326 PolarHBondContact NE-O 3.31Å; R110-Q326 PolarHBondContact NH1-O 2.88Å
111	M	91.1	Very high	83.5	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.8	166.6	178.2	67	70	0	0	107.9	F57 G80 V83 Y102 L103 T105 L113 A127 N128 I156	F57-M111 HydrophobicContact CD2-CE 4.22Å; F57-M111 HydrophobicContact CE2-CG 4.3Å; G80-M111 WeakPolarHBondContact O-CE 3.49Å; V83-M111 HydrophobicContact CG2-CB 3.9Å; V83-M111 HydrophobicContact CG2-CE 4.47Å; V83-M111 HydrophobicContact CG2-CG 3.91Å; Y102-M111 CarbonylContact C-O 3.47Å; Y102-M111 WeakPolarHBondContact CA-O 3.33Å; L103-M111 HydrophobicContact CB-CB 4.38Å; L103-M111 PolarHBondContact N-O 3.04Å; L103-M111 PolarHBondContact O-N 3.37Å; T105-M111 HydrophobicContact CG2-CB 3.89Å; T105-M111 HydrophobicContact CG2-CE 4.4Å; M111-L113 HydrophobicContact CG-CD2 4.24Å; M111-A127 HydrophobicContact SD-CB 3.81Å; M111-N128 HydrophobicContact SD-CB 4.22Å; M111-N128 VanDerWaalsContact SD-CG 3.53Å; M111-I156 HydrophobicContact CE-CD1 4.4Å; M111-I156 HydrophobicContact CE-CG2 3.92Å; M111-I156 HydrophobicContact SD-CG2 4.13Å
112	Y	91.6	Very high	83.2	Confident	1 Å²	1	50.7 Å²	50.7	0%	0.004	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.9	-180	-64.3	-74.4	0	0	0	110.4	T100 E101 R110 A127 N128 F213 V248 F250 V325 Q326 G328	T100-Y112 HydrophobicContact CG2-CD1 4.27Å; E101-Y112 CarbonylContact O-C 3.23Å; E101-Y112 WeakPolarHBondContact O-CA 3.34Å; R110-Y112 HydrophobicContact CB-CE2 4.07Å; R110-Y112 WeakPolarHBondContact CD-OH 3.34Å; Y112-A127 CarbonylContact O-C 3.48Å; Y112-A127 WeakPolarHBondContact O-CA 3.44Å; Y112-N128 WeakPolarHBondContact CD2-OD1 3.49Å; Y112-N128 PolarHBondContact N-OD1 3.32Å; Y112-N128 PolarHBondContact O-N 3.02Å; Y112-F213 AromaticContact CE1-CD1 3.54Å; Y112-F213 HydrophobicContact CE1-CD1 3.54Å; Y112-F213 AromaticContact CE1-CE1 3.83Å; Y112-F213 HydrophobicContact CE1-CE1 3.83Å; Y112-F213 HydrophobicContact CE1-CG 4.21Å; Y112-V248 HydrophobicContact CD1-CB 3.9Å; Y112-V248 HydrophobicContact CD1-CG1 3.93Å; Y112-V248 HydrophobicContact CD1-CG2 3.77Å; Y112-V248 HydrophobicContact CD2-CG1 3.79Å; Y112-V248 HydrophobicContact CE1-CB 4.37Å; Y112-V248 HydrophobicContact CE1-CG1 4.25Å; Y112-V248 HydrophobicContact CE1-CG2 3.82Å; Y112-V248 HydrophobicContact CE2-CG1 4.11Å; Y112-V248 HydrophobicContact CG-CB 4.04Å; Y112-V248 HydrophobicContact CG-CG1 3.69Å; Y112-V248 HydrophobicContact CG-CG2 4.38Å; Y112-F250 AromaticContact CD2-CE2 3.98Å; Y112-F250 HydrophobicContact CD2-CE2 3.98Å; Y112-F250 HydrophobicContact CD2-CZ 4.15Å; Y112-F250 HydrophobicContact CG-CE2 4.41Å; Y112-V325 PolarHBondContact OH-O 3.44Å; Y112-Q326 PolarHBondContact OH-O 2.99Å; Y112-G328 WeakPolarHBondContact OH-CA 3.49Å; Y112-G328 PolarHBondContact OH-N 3.4Å; Y112-G328 VanDerWaalsContact OH-N 3.09Å
113	L	90.2	Very high	82.9	Confident	14 Å²	14	46.1 Å²	46.1	7%	0.073	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	113.3	176.3	-61.2	-172.9	0	0	0	110.9	F57 L87 T100 E101 L103 M111 F126 A127	F57-L113 HydrophobicContact CE1-CD2 4.5Å; F57-L113 HydrophobicContact CE2-CD2 4.2Å; F57-L113 HydrophobicContact CZ-CD2 3.74Å; L87-L113 HydrophobicContact CD1-CD1 3.63Å; L87-L113 HydrophobicContact CD2-CD1 4.22Å; T100-L113 WeakPolarHBondContact CA-O 2.88Å; T100-L113 WeakPolarHBondContact CG2-O 3.41Å; E101-L113 HydrophobicContact CB-CB 4.33Å; E101-L113 PolarHBondContact N-O 3.42Å; E101-L113 PolarHBondContact O-N 2.95Å; L103-L113 HydrophobicContact CD1-CD1 3.39Å; L103-L113 HydrophobicContact CD1-CG 3.83Å; L103-L113 HydrophobicContact CG-CD1 4.44Å; M111-L113 HydrophobicContact CG-CD2 4.24Å; L113-F126 VanDerWaalsContact CA-O 3.28Å; L113-F126 WeakPolarHBondContact CA-O 3.41Å; L113-A127 HydrophobicContact CD2-CB 3.77Å
114	S	87.9	Confident	82.7	Confident	4 Å²	4	46 Å²	46	3%	0.028	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	138.6	173.7	-47.7	0	0	0	0	109.9	F126 V248	S114-F126 PolarHBondContact N-O 3.46Å; S114-F126 PolarHBondContact O-N 2.63Å; S114-V248 PolarHBondContact OG-O 2.91Å
115	M	85.4	Confident	82.6	Confident	46 Å²	46	43.7 Å²	43.7	23%	0.227	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134	176.9	-179.1	-175.6	70	0	0	109.5	P94 F123 S124 F125	P94-M115 HydrophobicContact CB-CE 3.66Å; P94-M115 HydrophobicContact CB-SD 3.91Å; M115-F123 HydrophobicContact CE-CD1 4.2Å; M115-F123 HydrophobicContact CE-CE1 4.34Å; M115-F123 HydrophobicContact CG-CB 4.16Å; M115-F123 HydrophobicContact CG-CD1 3.81Å; M115-F123 HydrophobicContact CG-CG 4.32Å; M115-F123 HydrophobicContact SD-CB 4.42Å; M115-F123 HydrophobicContact SD-CD1 3.79Å; M115-F123 HydrophobicContact SD-CE1 4.44Å; M115-F123 HydrophobicContact SD-CG 4.18Å; M115-S124 WeakPolarHBondContact CA-O 3.37Å; M115-F125 HydrophobicContact CB-CD1 3.99Å; M115-F125 HydrophobicContact CB-CE1 4.15Å; M115-F125 HydrophobicContact CG-CD1 3.76Å; M115-F125 HydrophobicContact CG-CE1 3.55Å; M115-F125 HydrophobicContact CG-CZ 4.26Å; M115-F125 HydrophobicContact SD-CD1 4.16Å; M115-F125 HydrophobicContact SD-CE1 3.36Å; M115-F125 WeakPolarHBondContact SD-CE1 3.39Å; M115-F125 HydrophobicContact SD-CZ 3.92Å
116	F	82.9	Confident	82.6	Confident	15 Å²	15	43.6 Å²	43.6	7%	0.066	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	140.1	177.5	-55.7	-88.1	0	0	0	110.8	F123 S124 F126 L249 S253 Y256 Y263	F116-F123 CarbonylContact O-C 3.57Å; F116-F123 VanDerWaalsContact O-CA 3.25Å; F116-F123 WeakPolarHBondContact O-CA 3.37Å; F116-S124 PolarHBondContact N-O 3.3Å; F116-S124 PolarHBondContact O-N 3.31Å; F116-S124 PolarHBondContact O-OG 3.23Å; F116-F126 AromaticContact CD2-CD2 3.65Å; F116-F126 HydrophobicContact CD2-CD2 3.65Å; F116-F126 AromaticContact CD2-CE2 3.55Å; F116-F126 HydrophobicContact CD2-CE2 3.55Å; F116-F126 AromaticContact CE2-CD2 3.79Å; F116-F126 HydrophobicContact CE2-CD2 3.79Å; F116-F126 HydrophobicContact CE2-CE2 4.01Å; F116-L249 HydrophobicContact CE1-CD2 4.33Å; F116-L249 HydrophobicContact CZ-CD2 3.72Å; F116-S253 VanDerWaalsContact CE2-O 3.23Å; F116-S253 WeakPolarHBondContact CE2-O 3.34Å; F116-S253 WeakPolarHBondContact CZ-O 3.27Å; F116-Y256 HydrophobicContact CB-CD1 4.42Å; F116-Y256 HydrophobicContact CB-CD2 3.84Å; F116-Y256 HydrophobicContact CB-CE1 4.02Å; F116-Y256 HydrophobicContact CB-CE2 3.38Å; F116-Y256 HydrophobicContact CB-CG 4.32Å; F116-Y256 VanDerWaalsContact CB-CZ 3.45Å; F116-Y256 HydrophobicContact CD1-CD1 4.06Å; F116-Y256 AromaticContact CD1-CE1 3.36Å; F116-Y256 HydrophobicContact CD1-CE1 3.36Å; F116-Y256 HydrophobicContact CD1-CE2 4.3Å; F116-Y256 AromaticContact CD1-CZ 3.48Å; F116-Y256 VanDerWaalsContact CD1-CZ 3.48Å; F116-Y256 WeakPolarHBondContact CD1-OH 3.42Å; F116-Y256 HydrophobicContact CD2-CD1 4.21Å; F116-Y256 HydrophobicContact CD2-CE1 4.3Å; F116-Y256 HydrophobicContact CD2-CG 4.38Å; F116-Y256 HydrophobicContact CE1-CD1 4.36Å; F116-Y256 AromaticContact CE1-CE1 3.82Å; F116-Y256 HydrophobicContact CE1-CE1 3.82Å; F116-Y256 HydrophobicContact CE2-CD1 4.49Å; F116-Y256 AromaticContact CG-CD1 3.96Å; F116-Y256 HydrophobicContact CG-CD1 3.96Å; F116-Y256 HydrophobicContact CG-CD2 4.25Å; F116-Y256 AromaticContact CG-CE1 3.63Å; F116-Y256 HydrophobicContact CG-CE1 3.63Å; F116-Y256 AromaticContact CG-CE2 3.94Å; F116-Y256 HydrophobicContact CG-CE2 3.94Å; F116-Y256 HydrophobicContact CG-CG 4.24Å; F116-Y256 AromaticContact CG-CZ 3.59Å; F116-Y256 HydrophobicContact CZ-CE1 4.44Å; F116-Y263 WeakPolarHBondContact CE1-OH 3.5Å
117	E	77.3	Confident	82.9	Confident	98 Å²	98	42 Å²	42	46%	0.458	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116.8	173.7	-169.5	169.1	-155.8	0	0	109.1	N119 P120 G121 F123	E117-N119 WeakPolarHBondContact CG-O 3.49Å; E117-P120 VanDerWaalsContact OE1-CA 3.29Å; E117-P120 WeakPolarHBondContact OE1-CA 3.45Å; E117-G121 PolarHBondContact OE1-N 2.91Å; E117-F123 HydrophobicContact CB-CD1 3.97Å; E117-F123 HydrophobicContact CB-CE1 3.55Å; E117-F123 HydrophobicContact CB-CZ 4.2Å; E117-F123 HydrophobicContact CG-CD1 4.36Å; E117-F123 HydrophobicContact CG-CE1 3.76Å; E117-F123 HydrophobicContact CG-CZ 3.87Å
118	N	75.2	Confident	83.5	Confident	53 Å²	53	39.1 Å²	39.1	28%	0.283	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	-43.6	179	-63.5	-49	0	0	0	111.3	N122 S124 Y256	N118-N122 PolarHBondContact N-O 3.29Å; N118-S124 VanDerWaalsContact ND2-CB 3.35Å; N118-S124 WeakPolarHBondContact ND2-CB 3.33Å; N118-S124 PolarHBondContact ND2-N 3.49Å; N118-S124 PolarHBondContact ND2-OG 3.36Å; N118-S124 PolarHBondContact OD1-OG 3.09Å; N118-Y256 WeakPolarHBondContact OD1-CD2 3.47Å
119	N	71.9	Confident	84.6	Confident	87 Å²	87	34.2 Å²	34.2	47%	0.465	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	160.5	175.3	-72.1	-35.3	0	0	0	107.1	E117 G121 N122	E117-N119 WeakPolarHBondContact CG-O 3.49Å; N119-G121 PolarHBondContact O-N 3.2Å; N119-N122 HydrophobicContact CB-CB 4.3Å; N119-N122 PolarHBondContact O-N 3.07Å
120	P	75.8	Confident	85	Confident	126 Å²	126	33.6 Å²	33.6	82%	0.818	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-45.7	112.3	175.4	-29.6	36	0	0	0	112.1	E117 N122	E117-P120 VanDerWaalsContact OE1-CA 3.29Å; E117-P120 WeakPolarHBondContact OE1-CA 3.45Å; P120-N122 PolarHBondContact O-N 2.88Å
121	G	73.5	Confident	85.2	Confident	61 Å²	61	34.4 Å²	34.4	63%	0.629	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.3	-4.2	180	0	0	0	0	0	117.2	E117 N119	E117-G121 PolarHBondContact OE1-N 2.91Å; N119-G121 PolarHBondContact O-N 3.2Å
122	N	78.3	Confident	85.2	Confident	64 Å²	64	34.9 Å²	34.9	34%	0.342	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	117.2	176	-174.3	6.4	0	0	0	110.9	N118 N119 P120 N134	N118-N122 PolarHBondContact N-O 3.29Å; N119-N122 HydrophobicContact CB-CB 4.3Å; N119-N122 PolarHBondContact O-N 3.07Å; P120-N122 PolarHBondContact O-N 2.88Å; N122-N134 PolarHBondContact OD1-ND2 3.36Å
123	F	79.4	Confident	85	Confident	28 Å²	28	35 Å²	35	12%	0.123	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	141.2	-175.1	-63	-88.4	0	0	0	111.8	P94 M115 F116 E117 F125	P94-F123 HydrophobicContact CB-CD1 4.28Å; P94-F123 HydrophobicContact CB-CD2 4.37Å; P94-F123 HydrophobicContact CB-CE1 3.81Å; P94-F123 HydrophobicContact CB-CE2 3.94Å; P94-F123 HydrophobicContact CB-CZ 3.69Å; P94-F123 VanDerWaalsContact CD-CE2 3.48Å; P94-F123 HydrophobicContact CG-CD2 4.23Å; P94-F123 HydrophobicContact CG-CE1 3.98Å; P94-F123 HydrophobicContact CG-CE2 3.43Å; P94-F123 VanDerWaalsContact CG-CE2 3.43Å; P94-F123 HydrophobicContact CG-CZ 3.32Å; M115-F123 HydrophobicContact CE-CD1 4.2Å; M115-F123 HydrophobicContact CE-CE1 4.34Å; M115-F123 HydrophobicContact CG-CB 4.16Å; M115-F123 HydrophobicContact CG-CD1 3.81Å; M115-F123 HydrophobicContact CG-CG 4.32Å; M115-F123 HydrophobicContact SD-CB 4.42Å; M115-F123 HydrophobicContact SD-CD1 3.79Å; M115-F123 HydrophobicContact SD-CE1 4.44Å; M115-F123 HydrophobicContact SD-CG 4.18Å; F116-F123 CarbonylContact O-C 3.57Å; F116-F123 VanDerWaalsContact O-CA 3.25Å; F116-F123 WeakPolarHBondContact O-CA 3.37Å; E117-F123 HydrophobicContact CB-CD1 3.97Å; E117-F123 HydrophobicContact CB-CE1 3.55Å; E117-F123 HydrophobicContact CB-CZ 4.2Å; E117-F123 HydrophobicContact CG-CD1 4.36Å; E117-F123 HydrophobicContact CG-CE1 3.76Å; E117-F123 HydrophobicContact CG-CZ 3.87Å; F123-F125 HydrophobicContact CB-CD2 4.49Å; F123-F125 HydrophobicContact CB-CE2 3.82Å; F123-F125 HydrophobicContact CB-CZ 3.88Å
124	S	84.7	Confident	84.2	Confident	8 Å²	8	39 Å²	39	6%	0.056	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130.3	162.5	43.3	0	0	0	0	109.6	M115 F116 N118 F126	M115-S124 WeakPolarHBondContact CA-O 3.37Å; F116-S124 PolarHBondContact N-O 3.3Å; F116-S124 PolarHBondContact O-N 3.31Å; F116-S124 PolarHBondContact O-OG 3.23Å; N118-S124 VanDerWaalsContact ND2-CB 3.35Å; N118-S124 WeakPolarHBondContact ND2-CB 3.33Å; N118-S124 PolarHBondContact ND2-N 3.49Å; N118-S124 PolarHBondContact ND2-OG 3.36Å; N118-S124 PolarHBondContact OD1-OG 3.09Å; S124-F126 WeakPolarHBondContact OG-CE2 3.41Å
125	F	87.6	Confident	82.7	Confident	30 Å²	30	42.5 Å²	42.5	13%	0.132	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	143.3	177.2	-59	-86.6	0	0	0	109.9	L90 M115 F123 V132	L90-F125 HydrophobicContact CD2-CB 4.24Å; L90-F125 HydrophobicContact CD2-CD1 3.28Å; L90-F125 HydrophobicContact CD2-CE1 3.66Å; L90-F125 HydrophobicContact CD2-CG 3.85Å; M115-F125 HydrophobicContact CB-CD1 3.99Å; M115-F125 HydrophobicContact CB-CE1 4.15Å; M115-F125 HydrophobicContact CG-CD1 3.76Å; M115-F125 HydrophobicContact CG-CE1 3.55Å; M115-F125 HydrophobicContact CG-CZ 4.26Å; M115-F125 HydrophobicContact SD-CD1 4.16Å; M115-F125 HydrophobicContact SD-CE1 3.36Å; M115-F125 WeakPolarHBondContact SD-CE1 3.39Å; M115-F125 HydrophobicContact SD-CZ 3.92Å; F123-F125 HydrophobicContact CB-CD2 4.49Å; F123-F125 HydrophobicContact CB-CE2 3.82Å; F123-F125 HydrophobicContact CB-CZ 3.88Å; F125-V132 HydrophobicContact CB-CB 4.06Å; F125-V132 HydrophobicContact CB-CG2 3.85Å; F125-V132 WeakPolarHBondContact O-CB 3.2Å; F125-V132 PolarHBondContact O-N 3.46Å
126	F	91.1	Very high	81.1	Confident	1 Å²	1	47.6 Å²	47.6	0%	0.004	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	132.2	179.9	-59.8	-94.1	0	0	0	109.3	L113 S114 F116 S124 G130 R131 E252	L113-F126 VanDerWaalsContact CA-O 3.28Å; L113-F126 WeakPolarHBondContact CA-O 3.41Å; S114-F126 PolarHBondContact N-O 3.46Å; S114-F126 PolarHBondContact O-N 2.63Å; F116-F126 AromaticContact CD2-CD2 3.65Å; F116-F126 HydrophobicContact CD2-CD2 3.65Å; F116-F126 AromaticContact CD2-CE2 3.55Å; F116-F126 HydrophobicContact CD2-CE2 3.55Å; F116-F126 AromaticContact CE2-CD2 3.79Å; F116-F126 HydrophobicContact CE2-CD2 3.79Å; F116-F126 HydrophobicContact CE2-CE2 4.01Å; S124-F126 WeakPolarHBondContact OG-CE2 3.41Å; F126-G130 CarbonylContact C-O 3.55Å; F126-G130 VanDerWaalsContact CA-O 3.27Å; F126-G130 WeakPolarHBondContact CA-O 3.44Å; F126-R131 HydrophobicContact CD1-CB 3.87Å; F126-R131 HydrophobicContact CD1-CG 4.19Å; F126-R131 HydrophobicContact CE1-CB 3.68Å; F126-R131 HydrophobicContact CE1-CG 3.66Å; F126-R131 HydrophobicContact CZ-CG 4.2Å; F126-E252 HydrophobicContact CD1-CG 4.22Å; F126-E252 HydrophobicContact CE1-CG 3.96Å
127	A	92.1	Very high	79.6	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	108.2	170.1	0	0	0	0	0	108	F57 M111 Y112 L113 N129 G130 I152	F57-A127 HydrophobicContact CD1-CB 3.86Å; F57-A127 HydrophobicContact CD2-CB 4.11Å; F57-A127 HydrophobicContact CE1-CB 3.89Å; F57-A127 HydrophobicContact CE2-CB 4.13Å; F57-A127 HydrophobicContact CG-CB 3.97Å; F57-A127 HydrophobicContact CZ-CB 4.03Å; M111-A127 HydrophobicContact SD-CB 3.81Å; Y112-A127 CarbonylContact O-C 3.48Å; Y112-A127 WeakPolarHBondContact O-CA 3.44Å; L113-A127 HydrophobicContact CD2-CB 3.77Å; A127-N129 PolarHBondContact O-N 2.9Å; A127-G130 PolarHBondContact N-O 3.43Å; A127-G130 WeakPolarHBondContact O-CA 3.33Å; A127-G130 PolarHBondContact O-N 2.75Å; A127-I152 HydrophobicContact CB-CD1 4.35Å
128	N	93.8	Very high	78.4	Confident	6 Å²	6	51.5 Å²	51.5	3%	0.032	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	-117.4	-162.2	-66.4	-17.5	0	0	0	110.7	M111 Y112 I156 F250	M111-N128 HydrophobicContact SD-CB 4.22Å; M111-N128 VanDerWaalsContact SD-CG 3.53Å; Y112-N128 WeakPolarHBondContact CD2-OD1 3.49Å; Y112-N128 PolarHBondContact N-OD1 3.32Å; Y112-N128 PolarHBondContact O-N 3.02Å; N128-I156 HydrophobicContact CB-CG2 3.79Å; N128-I156 WeakPolarHBondContact CB-O 3.46Å; N128-F250 VanDerWaalsContact C-CG 3.41Å; N128-F250 VanDerWaalsContact CA-CE2 3.48Å; N128-F250 HydrophobicContact CB-CD1 4.34Å; N128-F250 HydrophobicContact CB-CD2 4.22Å; N128-F250 HydrophobicContact CB-CE1 3.91Å; N128-F250 HydrophobicContact CB-CE2 3.79Å; N128-F250 HydrophobicContact CB-CG 4.48Å; N128-F250 HydrophobicContact CB-CZ 3.61Å; N128-F250 WeakPolarHBondContact O-CD2 3.31Å
129	N	94.5	Very high	77.6	Confident	14 Å²	14	51.8 Å²	51.8	8%	0.075	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-8.6	174.7	-169.1	71.7	0	0	0	113.2	A127 R131 P155 I156 F250 T251 E252 N322	A127-N129 PolarHBondContact O-N 2.9Å; N129-R131 PolarHBondContact O-N 3.44Å; N129-P155 CarbonylContact C-O 3.26Å; N129-P155 VanDerWaalsContact C-O 3.31Å; N129-P155 PolarHBondContact ND2-O 3.25Å; N129-I156 WeakPolarHBondContact CB-O 3.4Å; N129-I156 PolarHBondContact N-O 2.87Å; N129-F250 HydrophobicContact CB-CB 3.72Å; N129-F250 HydrophobicContact CB-CD1 3.79Å; N129-F250 HydrophobicContact CB-CG 3.99Å; N129-T251 PolarHBondContact OD1-N 3.24Å; N129-T251 PolarHBondContact OD1-OG1 3.5Å; N129-E252 WeakPolarHBondContact O-CB 3.48Å; N129-E252 WeakPolarHBondContact O-CG 3.4Å; N129-E252 WeakPolarHBondContact OD1-CB 3.45Å; N129-E252 PolarHBondContact OD1-N 3.47Å; N129-N322 PolarHBondContact OD1-ND2 3.18Å; N129-N322 PolarHBondContact OD1-OD1 3.21Å
130	G	93.2	Very high	77.4	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	118.7	-174.8	0	0	0	0	0	111.7	F126 A127 S154 P155	F126-G130 CarbonylContact C-O 3.55Å; F126-G130 VanDerWaalsContact CA-O 3.27Å; F126-G130 WeakPolarHBondContact CA-O 3.44Å; A127-G130 PolarHBondContact N-O 3.43Å; A127-G130 WeakPolarHBondContact O-CA 3.33Å; A127-G130 PolarHBondContact O-N 2.75Å; G130-S154 VanDerWaalsContact CA-O 3.28Å; G130-S154 WeakPolarHBondContact CA-O 3.34Å; G130-P155 PolarHBondContact N-O 2.92Å
131	R	91.8	Very high	77.2	Confident	67 Å²	67	43.8 Å²	43.8	25%	0.253	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	126.3	172	-175.2	-176	-66.7	-107.2	0.9	110	F126 N129 I152 C153 E252	F126-R131 HydrophobicContact CD1-CB 3.87Å; F126-R131 HydrophobicContact CD1-CG 4.19Å; F126-R131 HydrophobicContact CE1-CB 3.68Å; F126-R131 HydrophobicContact CE1-CG 3.66Å; F126-R131 HydrophobicContact CZ-CG 4.2Å; N129-R131 PolarHBondContact O-N 3.44Å; R131-I152 WeakPolarHBondContact O-CA 3.26Å; R131-C153 PolarHBondContact O-N 2.92Å; R131-E252 HydrophobicContact CB-CG 4.19Å; R131-E252 IonicContact CZ-OE1 3.62Å; R131-E252 IonicContact NE-OE1 3.84Å; R131-E252 PolarHBondContact NE-OE1 2.87Å; R131-E252 IonicContact NH2-OE1 3.07Å; R131-E252 PolarHBondContact NH2-OE1 3.02Å
132	V	90.2	Very high	77.3	Confident	9 Å²	9	42.7 Å²	42.7	6%	0.055	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-68.4	130.8	169.1	-178	0	0	0	0	108.6	F57 F125 N134 W140 I152	F57-V132 HydrophobicContact CE1-CG2 4.45Å; F125-V132 HydrophobicContact CB-CB 4.06Å; F125-V132 HydrophobicContact CB-CG2 3.85Å; F125-V132 WeakPolarHBondContact O-CB 3.2Å; F125-V132 PolarHBondContact O-N 3.46Å; V132-N134 PolarHBondContact O-N 2.98Å; V132-W140 HydrophobicContact CG1-CE3 3.75Å; V132-W140 HydrophobicContact CG1-CZ3 4.22Å; V132-I152 HydrophobicContact CB-CD1 4.44Å; V132-I152 HydrophobicContact CG2-CD1 3.8Å
133	C	87.4	Confident	77.2	Confident	3 Å²	3	43.1 Å²	43.1	2%	0.02	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-63.3	126.2	-178.4	-62.1	0	0	0	0	110.6	W140 K151 C153	C133-W140 WeakPolarHBondContact O-CB 3.33Å; C133-K151 HydrophobicContact CB-CB 4.26Å; C133-K151 PolarHBondContact N-O 3.48Å; C133-C153 VanDerWaalsContact CA-SG 3.56Å; C133-C153 HydrophobicContact CB-CB 4.25Å; C133-C153 WeakPolarHBondContact CB-SG 3.48Å; C133-C153 VanDerWaalsContact SG-CA 3.52Å; C133-C153 WeakPolarHBondContact SG-CB 3.5Å; C133-C153 PolarHBondContact SG-N 3.17Å; C133-C153 CovalentContact SG-SG 2.04Å; C133-C153 PolarHBondContact SG-SG 2.84Å
134	N	74.8	Confident	77.2	Confident	99 Å²	99	42.2 Å²	42.2	53%	0.529	24%	0.241	S	C	.	.			trans	-96.5	93.9	173.3	-169.2	-7.5	0	0	0	108.3	N122 V132	N122-N134 PolarHBondContact OD1-ND2 3.36Å; V132-N134 PolarHBondContact O-N 2.98Å
135	H	55.5	Low	77.1	Confident	78 Å²	78	45.2 Å²	45.2	36%	0.361	25%	0.254	S	S	.	.			trans	-95.6	137.7	170.2	-65.5	-69.9	0	0	0	109.4	T137	H135-T137 CarbonylContact C-O 3.59Å; H135-T137 WeakPolarHBondContact CB-O 3.47Å; H135-T137 CarbonylContact O-C 3.58Å; H135-T137 PolarHBondContact O-N 2.94Å
136	V	52.8	Low	77.1	Confident	152 Å²	152	45.8 Å²	45.8	92%	0.921	26%	0.262	S	S	*	.	S	Bend	trans	-57.3	-30.7	174.2	178.2	0	0	0	0	111
137	T	50.3	Low	77	Confident	92 Å²	92	45.8 Å²	45.8	56%	0.564	26%	0.262	S	S	*	.	S	Bend	trans	-76.1	121.1	164.3	57.9	0	0	0	0	107.2	H135 S139	H135-T137 CarbonylContact C-O 3.59Å; H135-T137 WeakPolarHBondContact CB-O 3.47Å; H135-T137 CarbonylContact O-C 3.58Å; H135-T137 PolarHBondContact O-N 2.94Å; T137-S139 PolarHBondContact O-N 3.3Å; T137-S139 PolarHBondContact O-OG 3.02Å; T137-S139 PolarHBondContact OG1-OG 3.23Å
138	S	53	Low	76.9	Confident	104 Å²	104	47.3 Å²	47.3	73%	0.727	27%	0.268	S	S	*	.	S	Bend	trans	-61.2	27	179.7	-41.6	0	0	0	0	115.3
139	S	58.2	Low	76.8	Confident	58 Å²	58	47.1 Å²	47.1	41%	0.406	27%	0.267	S	S	.	.			trans	-102.3	33.9	-175.6	64.1	0	0	0	0	112.5	T137 A141	T137-S139 PolarHBondContact O-N 3.3Å; T137-S139 PolarHBondContact O-OG 3.02Å; T137-S139 PolarHBondContact OG1-OG 3.23Å; S139-A141 VanDerWaalsContact C-N 3.33Å
140	W	66.6	Low	76.6	Confident	33 Å²	33	46.5 Å²	46.5	13%	0.125	26%	0.264	C	S	.	.	S	Bend	trans	-87.7	-11.1	173.9	51.4	-92.1	0	0	0	112	L90 L91 V132 C133 Y150 K151	L90-W140 HydrophobicContact CB-CH2 3.87Å; L90-W140 HydrophobicContact CB-CZ3 3.98Å; L90-W140 WeakPolarHBondContact O-CH2 3.3Å; L91-W140 HydrophobicContact CB-CH2 4.29Å; L91-W140 HydrophobicContact CB-CZ2 4.4Å; L91-W140 HydrophobicContact CD2-CH2 3.47Å; L91-W140 VanDerWaalsContact CD2-CH2 3.47Å; L91-W140 HydrophobicContact CD2-CZ2 3.38Å; L91-W140 HydrophobicContact CD2-CZ3 4.23Å; L91-W140 HydrophobicContact CG-CH2 3.82Å; L91-W140 HydrophobicContact CG-CZ2 4.13Å; V132-W140 HydrophobicContact CG1-CE3 3.75Å; V132-W140 HydrophobicContact CG1-CZ3 4.22Å; C133-W140 WeakPolarHBondContact O-CB 3.33Å; W140-Y150 AromaticContact CE3-CD1 3.47Å; W140-Y150 HydrophobicContact CE3-CD1 3.47Å; W140-Y150 VanDerWaalsContact CE3-CD1 3.47Å; W140-Y150 AromaticContact CE3-CE1 3.72Å; W140-Y150 HydrophobicContact CE3-CE1 3.72Å; W140-Y150 HydrophobicContact CH2-CD1 4.3Å; W140-Y150 AromaticContact CH2-CE1 3.71Å; W140-Y150 HydrophobicContact CH2-CE1 3.71Å; W140-Y150 AromaticContact CZ3-CD1 3.23Å; W140-Y150 HydrophobicContact CZ3-CD1 3.23Å; W140-Y150 AromaticContact CZ3-CE1 3.03Å; W140-Y150 HydrophobicContact CZ3-CE1 3.03Å; W140-Y150 HydrophobicContact CZ3-CG 4.48Å; W140-K151 PolarHBondContact O-N 3.13Å
141	A	71.9	Confident	76.6	Confident	13 Å²	13	47.5 Å²	47.5	11%	0.107	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142.9	171.3	0	0	0	0	0	111.2	L91 S139 L149 Y150	L91-A141 HydrophobicContact CD1-CB 4.22Å; L91-A141 HydrophobicContact CD2-CB 3.44Å; L91-A141 VanDerWaalsContact CD2-CB 3.44Å; L91-A141 HydrophobicContact CG-CB 4.08Å; S139-A141 VanDerWaalsContact C-N 3.33Å; A141-L149 CarbonylContact C-O 3.55Å; A141-L149 WeakPolarHBondContact CA-O 3.14Å; A141-Y150 HydrophobicContact CB-CD1 3.35Å; A141-Y150 HydrophobicContact CB-CE1 3.12Å; A141-Y150 HydrophobicContact CB-CG 4.43Å
142	I	75.3	Confident	76.6	Confident	38 Å²	38	44.3 Å²	44.3	20%	0.195	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	132	172.3	-65.7	165.3	0	0	0	107.6	E23 I27 L149	E23-I142 HydrophobicContact CG-CG2 3.64Å; I27-I142 HydrophobicContact CD1-CD1 3.15Å; I27-I142 HydrophobicContact CG1-CD1 3.79Å; I142-L149 HydrophobicContact CB-CB 4.4Å; I142-L149 PolarHBondContact N-O 3.49Å; I142-L149 PolarHBondContact O-N 3.05Å
143	V	76.9	Confident	76.7	Confident	73 Å²	73	45.1 Å²	45.1	44%	0.442	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	113.8	-179.8	-172.6	0	0	0	0	107.6	L91 Y148	L91-V143 HydrophobicContact CD1-CG2 4.12Å; V143-Y148 HydrophobicContact CB-CE1 4.38Å; V143-Y148 HydrophobicContact CG1-CE1 4.03Å; V143-Y148 HydrophobicContact CG1-CE2 4.39Å; V143-Y148 HydrophobicContact CG2-CD1 3.76Å; V143-Y148 HydrophobicContact CG2-CE1 3.49Å; V143-Y148 VanDerWaalsContact CG2-CE1 3.49Å
144	S	80.4	Confident	76.9	Confident	9 Å²	9	45.6 Å²	45.6	6%	0.063	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	104.2	166.5	169.5	0	0	0	0	108	A18 S146 Q147	A18-S144 PolarHBondContact O-OG 2.64Å; S144-S146 PolarHBondContact O-N 2.83Å; S144-Q147 PolarHBondContact N-O 2.83Å; S144-Q147 WeakPolarHBondContact O-CA 3.36Å; S144-Q147 PolarHBondContact O-N 3.32Å
145	Q	81.9	Confident	77.8	Confident	71 Å²	71	42 Å²	42	33%	0.332	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	-109.1	177.8	-51.3	-175.8	42.7	0	0	112.5	L17	L17-Q145 HydrophobicContact CD2-CG 4.11Å
146	S	87	Confident	79.5	Confident	42 Å²	42	38.7 Å²	38.7	29%	0.294	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	4.2	178.8	-68.7	0	0	0	0	114.1	Y50 Q86 S144	Y50-S146 WeakPolarHBondContact O-CB 3.42Å; Q86-S146 VanDerWaalsContact CG-O 3.27Å; Q86-S146 WeakPolarHBondContact CG-O 3.5Å; Q86-S146 VanDerWaalsContact NE2-C 3.31Å; Q86-S146 VanDerWaalsContact NE2-CB 3.29Å; Q86-S146 PolarHBondContact NE2-O 3.18Å; S144-S146 PolarHBondContact O-N 2.83Å
147	Q	89.9	Confident	81.1	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.6	-175.6	-55.6	-171.6	-37.3	0	0	111.8	L20 Y46 L47 D49 S52 L54 S144	L20-Q147 HydrophobicContact CB-CB 4.33Å; L20-Q147 HydrophobicContact CD2-CB 3.99Å; Y46-Q147 PolarHBondContact O-NE2 3.22Å; L47-Q147 PolarHBondContact O-OE1 3.47Å; D49-Q147 PolarHBondContact O-NE2 3.46Å; S52-Q147 WeakPolarHBondContact O-CG 3.44Å; S52-Q147 PolarHBondContact OG-NE2 2.96Å; L54-Q147 HydrophobicContact CB-CG 4.16Å; L54-Q147 CarbonylContact O-C 3.52Å; L54-Q147 VanDerWaalsContact O-CA 3.27Å; L54-Q147 WeakPolarHBondContact O-CA 3.42Å; S144-Q147 PolarHBondContact N-O 2.83Å; S144-Q147 WeakPolarHBondContact O-CA 3.36Å; S144-Q147 PolarHBondContact O-N 3.32Å
148	Y	89.6	Confident	82.6	Confident	32 Å²	32	31 Å²	31	13%	0.125	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	134.6	178.3	-70.8	-102.2	0	0	0	109.5	L54 T55 V56 Q86 P88 L91 V143	L54-Y148 PolarHBondContact O-N 3.35Å; T55-Y148 CarbonylContact C-O 3.53Å; T55-Y148 VanDerWaalsContact CA-O 3.29Å; T55-Y148 WeakPolarHBondContact CA-O 3.38Å; V56-Y148 PolarHBondContact N-O 3.37Å; Q86-Y148 HydrophobicContact CB-CD2 4.07Å; Q86-Y148 HydrophobicContact CB-CE2 3.95Å; Q86-Y148 HydrophobicContact CG-CD2 3.99Å; Q86-Y148 HydrophobicContact CG-CE2 3.89Å; P88-Y148 HydrophobicContact CB-CE1 3.95Å; L91-Y148 HydrophobicContact CD1-CD1 4.02Å; L91-Y148 HydrophobicContact CD1-CE1 3.75Å; V143-Y148 HydrophobicContact CB-CE1 4.38Å; V143-Y148 HydrophobicContact CG1-CE1 4.03Å; V143-Y148 HydrophobicContact CG1-CE2 4.39Å; V143-Y148 HydrophobicContact CG2-CD1 3.76Å; V143-Y148 HydrophobicContact CG2-CE1 3.49Å; V143-Y148 VanDerWaalsContact CG2-CE1 3.49Å
149	L	90.8	Very high	84.1	Confident	3 Å²	3	28.2 Å²	28.2	2%	0.016	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	116.2	175	176.1	68.8	0	0	0	109.1	L20 L24 I27 L30 V56 A58 A141 I142	L20-L149 HydrophobicContact CD1-CB 3.6Å; L20-L149 HydrophobicContact CD1-CD2 4.11Å; L20-L149 HydrophobicContact CD1-CG 4.42Å; L20-L149 HydrophobicContact CD2-CB 4.15Å; L20-L149 HydrophobicContact CG-CB 4.34Å; L24-L149 HydrophobicContact CD1-CD2 4.25Å; I27-L149 HydrophobicContact CD1-CD2 3.78Å; L30-L149 HydrophobicContact CD1-CD2 3.81Å; L30-L149 HydrophobicContact CD1-CG 4.41Å; V56-L149 HydrophobicContact CB-CD1 3.91Å; V56-L149 HydrophobicContact CG1-CD1 3.92Å; V56-L149 CarbonylContact O-C 3.53Å; V56-L149 WeakPolarHBondContact O-CA 3.39Å; A58-L149 HydrophobicContact CB-CD1 3.55Å; A141-L149 CarbonylContact C-O 3.55Å; A141-L149 WeakPolarHBondContact CA-O 3.14Å; I142-L149 HydrophobicContact CB-CB 4.4Å; I142-L149 PolarHBondContact N-O 3.49Å; I142-L149 PolarHBondContact O-N 3.05Å
150	Y	91.2	Very high	85.5	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	130.1	177.5	-69.2	-68.7	0	0	0	111	T55 V56 F57 A58 L87 L90 L91 W140 A141	T55-Y150 HydrophobicContact CG2-CD2 3.34Å; T55-Y150 HydrophobicContact CG2-CE2 3.45Å; T55-Y150 VanDerWaalsContact CG2-CE2 3.45Å; V56-Y150 PolarHBondContact O-N 3.36Å; F57-Y150 CarbonylContact C-O 3.44Å; F57-Y150 WeakPolarHBondContact CA-O 3.31Å; F57-Y150 HydrophobicContact CD1-CD2 4.27Å; F57-Y150 HydrophobicContact CD1-CG 4.34Å; F57-Y150 AromaticContact CE1-CD2 3.79Å; F57-Y150 HydrophobicContact CE1-CD2 3.79Å; F57-Y150 HydrophobicContact CE1-CG 4.1Å; F57-Y150 HydrophobicContact CZ-CD2 4.31Å; A58-Y150 PolarHBondContact N-O 3.14Å; L87-Y150 HydrophobicContact CB-CE2 4.23Å; L87-Y150 PolarHBondContact O-OH 3.12Å; L90-Y150 HydrophobicContact CB-CE1 4.02Å; L90-Y150 HydrophobicContact CD1-CD1 4.5Å; L90-Y150 HydrophobicContact CD1-CD2 4Å; L90-Y150 HydrophobicContact CD1-CE1 4.21Å; L90-Y150 HydrophobicContact CD1-CE2 3.7Å; L90-Y150 HydrophobicContact CD1-CG 4.4Å; L91-Y150 HydrophobicContact CD2-CE1 4.49Å; L91-Y150 HydrophobicContact CG-CE1 4.29Å; W140-Y150 AromaticContact CE3-CD1 3.47Å; W140-Y150 HydrophobicContact CE3-CD1 3.47Å; W140-Y150 VanDerWaalsContact CE3-CD1 3.47Å; W140-Y150 AromaticContact CE3-CE1 3.72Å; W140-Y150 HydrophobicContact CE3-CE1 3.72Å; W140-Y150 HydrophobicContact CH2-CD1 4.3Å; W140-Y150 AromaticContact CH2-CE1 3.71Å; W140-Y150 HydrophobicContact CH2-CE1 3.71Å; W140-Y150 AromaticContact CZ3-CD1 3.23Å; W140-Y150 HydrophobicContact CZ3-CD1 3.23Å; W140-Y150 AromaticContact CZ3-CE1 3.03Å; W140-Y150 HydrophobicContact CZ3-CE1 3.03Å; W140-Y150 HydrophobicContact CZ3-CG 4.48Å; A141-Y150 HydrophobicContact CB-CD1 3.35Å; A141-Y150 HydrophobicContact CB-CE1 3.12Å; A141-Y150 HydrophobicContact CB-CG 4.43Å
151	K	92.2	Very high	86.6	Confident	21 Å²	21	26 Å²	26	9%	0.091	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	132	175	-66.2	-174	178.9	-175.5	0	110.9	D29 L30 A58 I60 C133 W140	D29-K151 IonicContact OD2-NZ 3.86Å; D29-K151 PolarHBondContact OD2-NZ 3.12Å; L30-K151 HydrophobicContact CD2-CG 4.47Å; A58-K151 CarbonylContact O-C 3.59Å; A58-K151 WeakPolarHBondContact O-CA 3.24Å; I60-K151 HydrophobicContact CG2-CB 4.02Å; I60-K151 HydrophobicContact CG2-CD 4.21Å; I60-K151 HydrophobicContact CG2-CG 4.33Å; C133-K151 HydrophobicContact CB-CB 4.26Å; C133-K151 PolarHBondContact N-O 3.48Å; W140-K151 PolarHBondContact O-N 3.13Å
152	I	92.5	Very high	87.4	Confident	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	132.6	179.9	-65.5	-64.4	0	0	0	110.3	F57 A58 P59 I60 A127 R131 V132 S154 I156	F57-I152 HydrophobicContact CB-CD1 4.14Å; F57-I152 HydrophobicContact CB-CG1 3.76Å; F57-I152 HydrophobicContact CD1-CD1 3.78Å; F57-I152 HydrophobicContact CD1-CG1 4.24Å; F57-I152 HydrophobicContact CG-CD1 4.36Å; F57-I152 HydrophobicContact CG-CG1 4.48Å; A58-I152 PolarHBondContact O-N 2.78Å; P59-I152 WeakPolarHBondContact CA-O 3.45Å; I60-I152 PolarHBondContact N-O 2.71Å; A127-I152 HydrophobicContact CB-CD1 4.35Å; R131-I152 WeakPolarHBondContact O-CA 3.26Å; V132-I152 HydrophobicContact CB-CD1 4.44Å; V132-I152 HydrophobicContact CG2-CD1 3.8Å; I152-S154 WeakPolarHBondContact CG2-O 3.44Å; I152-I156 HydrophobicContact CG1-CD1 4.22Å; I152-I156 HydrophobicContact CG1-CG1 4.4Å; I152-I156 HydrophobicContact CG2-CG1 4.16Å
153	C	91.9	Very high	88.1	Confident	26 Å²	26	27.7 Å²	27.7	18%	0.176	16%	0.164	C	C	.	.	S	Bend	trans	-101.9	-5	-175.6	-84.4	0	0	0	0	113.6	V63 R66 R131 C133	V63-C153 VanDerWaalsContact CG2-C 3.42Å; V63-C153 WeakPolarHBondContact CG2-O 3.45Å; R66-C153 PolarHBondContact NH2-O 3.29Å; R131-C153 PolarHBondContact O-N 2.92Å; C133-C153 VanDerWaalsContact CA-SG 3.56Å; C133-C153 HydrophobicContact CB-CB 4.25Å; C133-C153 WeakPolarHBondContact CB-SG 3.48Å; C133-C153 VanDerWaalsContact SG-CA 3.52Å; C133-C153 WeakPolarHBondContact SG-CB 3.5Å; C133-C153 PolarHBondContact SG-N 3.17Å; C133-C153 CovalentContact SG-SG 2.04Å; C133-C153 PolarHBondContact SG-SG 2.84Å
154	S	92.7	Very high	88.8	Confident	14 Å²	14	24.4 Å²	24.4	10%	0.098	14%	0.144	C	C	.	.	S	Bend	trans	-142.2	152.8	177.6	-56.1	0	0	0	0	109.8	G130 I152 I156	G130-S154 VanDerWaalsContact CA-O 3.28Å; G130-S154 WeakPolarHBondContact CA-O 3.34Å; I152-S154 WeakPolarHBondContact CG2-O 3.44Å; S154-I156 PolarHBondContact O-N 2.87Å
155	P	92.5	Very high	89.4	Confident	23 Å²	23	24 Å²	24	15%	0.149	14%	0.141	C	C	.	.			trans	-60	135.4	-179.5	25.1	-33.9	0	0	0	111.7	V63 F67 V70 N129 G130 G157	V63-P155 HydrophobicContact CG1-CB 4.47Å; F67-P155 HydrophobicContact CD1-CG 4.28Å; F67-P155 HydrophobicContact CD2-CG 3.96Å; F67-P155 HydrophobicContact CE1-CG 4.34Å; F67-P155 VanDerWaalsContact CE2-CD 3.46Å; F67-P155 HydrophobicContact CE2-CG 4.02Å; F67-P155 HydrophobicContact CG-CG 4.09Å; F67-P155 HydrophobicContact CZ-CG 4.21Å; V70-P155 HydrophobicContact CG2-CB 4.21Å; N129-P155 CarbonylContact C-O 3.26Å; N129-P155 VanDerWaalsContact C-O 3.31Å; N129-P155 PolarHBondContact ND2-O 3.25Å; G130-P155 PolarHBondContact N-O 2.92Å; P155-G157 PolarHBondContact O-N 2.85Å
156	I	91.4	Very high	90	Very high	9 Å²	9	21.9 Å²	21.9	5%	0.046	13%	0.131	C	C	.	.			trans	-64.5	-31.2	179.4	-65.2	-172.3	0	0	0	111.4	F57 H81 M111 N128 N129 I152 S154	F57-I156 HydrophobicContact CB-CD1 3.46Å; F57-I156 VanDerWaalsContact CB-CD1 3.46Å; F57-I156 HydrophobicContact CG-CD1 4.41Å; H81-I156 VanDerWaalsContact ND1-CD1 3.26Å; H81-I156 WeakPolarHBondContact ND1-CD1 3.42Å; M111-I156 HydrophobicContact CE-CD1 4.4Å; M111-I156 HydrophobicContact CE-CG2 3.92Å; M111-I156 HydrophobicContact SD-CG2 4.13Å; N128-I156 HydrophobicContact CB-CG2 3.79Å; N128-I156 WeakPolarHBondContact CB-O 3.46Å; N129-I156 WeakPolarHBondContact CB-O 3.4Å; N129-I156 PolarHBondContact N-O 2.87Å; I152-I156 HydrophobicContact CG1-CD1 4.22Å; I152-I156 HydrophobicContact CG1-CG1 4.4Å; I152-I156 HydrophobicContact CG2-CG1 4.16Å; S154-I156 PolarHBondContact O-N 2.87Å
157	G	86.4	Confident	90.2	Very high	36 Å²	36	23 Å²	23	37%	0.371	13%	0.134	S	C	.	.			trans	131.4	-168.5	-179.6	0	0	0	0	0	111.4	P155	P155-G157 PolarHBondContact O-N 2.85Å
158	E	81.4	Confident	90.3	Very high	46 Å²	46	23 Å²	23	22%	0.215	13%	0.134	C	C	.	.	S	Bend	trans	-89.3	176.3	177.9	-62.1	-177.5	-175.7	0	0	111.5	R181	E158-R181 WeakPolarHBondContact OE1-CD 3.41Å; E158-R181 WeakPolarHBondContact OE1-CG 3.32Å; E158-R181 IonicContact OE1-CZ 3.58Å; E158-R181 IonicContact OE1-NE 2.8Å; E158-R181 PolarHBondContact OE1-NE 2.85Å; E158-R181 IonicContact OE1-NH1 3.49Å
159	E	85.1	Confident	90.5	Very high	45 Å²	45	21.5 Å²	21.5	21%	0.21	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-56.2	137.3	172.7	-176.4	-178.9	-170.4	0	0	112.8	E77 K107 Y161 K180	E77-E159 HydrophobicContact CG-CB 4.17Å; K107-E159 VanDerWaalsContact NZ-CG 3.29Å; K107-E159 IonicContact NZ-OE1 3.91Å; K107-E159 PolarHBondContact NZ-OE1 3.37Å; E159-Y161 PolarHBondContact O-N 2.85Å; E159-K180 IonicContact OE2-NZ 3.1Å; E159-K180 PolarHBondContact OE2-NZ 2.76Å
160	N	87.7	Confident	90.5	Very high	33 Å²	33	25.2 Å²	25.2	18%	0.176	14%	0.144	C	C	.	.	P	Polyproline II helix	trans	-59.1	127.9	172.9	-66.7	-10.9	0	0	0	112.9	G109 R110 P324	G109-N160 WeakPolarHBondContact CA-ND2 3.33Å; R110-N160 PolarHBondContact N-ND2 2.83Å; R110-N160 PolarHBondContact O-ND2 2.85Å; N160-P324 WeakPolarHBondContact OD1-CB 3.33Å; N160-P324 WeakPolarHBondContact OD1-CG 3.27Å
161	Y	90.5	Very high	90.4	Very high	11 Å²	11	26.5 Å²	26.5	4%	0.043	15%	0.152	C	C	.	.	P	Polyproline II helix	trans	-66.2	130.4	165.6	-179	-103.6	0	0	0	109.2	E159 G163 D167 L168 V171 Y176 P324 V325	E159-Y161 PolarHBondContact O-N 2.85Å; Y161-G163 VanDerWaalsContact CD1-N 3.28Å; Y161-G163 WeakPolarHBondContact CD1-O 3.48Å; Y161-G163 PolarHBondContact O-N 3.06Å; Y161-D167 HydrophobicContact CE1-CB 4.05Å; Y161-D167 PolarHBondContact OH-O 3.23Å; Y161-L168 HydrophobicContact CD1-CB 3.97Å; Y161-L168 HydrophobicContact CD1-CD1 4.27Å; Y161-L168 HydrophobicContact CE1-CB 3.67Å; Y161-L168 HydrophobicContact CE1-CG 4.5Å; Y161-L168 HydrophobicContact CG-CD1 4.18Å; Y161-L168 PolarHBondContact OH-N 3.32Å; Y161-V171 WeakPolarHBondContact OH-CG1 3.48Å; Y161-Y176 HydrophobicContact CE2-CD1 4.46Å; Y161-Y176 HydrophobicContact CE2-CG 4.4Å; Y161-P324 WeakPolarHBondContact CB-O 3.33Å; Y161-P324 PolarHBondContact N-O 2.92Å; Y161-V325 HydrophobicContact CD1-CG1 4.11Å
162	P	88	Confident	89.9	Confident	77 Å²	77	35 Å²	35	50%	0.5	19%	0.189	S	C	.	.	S	Bend	trans	-72.5	-9.5	-171.1	27.7	-35.7	0	0	0	114.2	Y176 Q326	P162-Y176 HydrophobicContact CG-CD1 3.91Å; P162-Y176 HydrophobicContact CG-CE1 3.73Å; P162-Q326 VanDerWaalsContact O-CD 3.27Å; P162-Q326 PolarHBondContact O-NE2 2.98Å
163	G	90	Very high	89.5	Confident	10 Å²	10	40.6 Å²	40.6	10%	0.103	22%	0.215	C	C	.	.	S	Bend	trans	-112.4	-172.4	178.8	0	0	0	0	0	113.8	Y161 Q326	Y161-G163 VanDerWaalsContact CD1-N 3.28Å; Y161-G163 WeakPolarHBondContact CD1-O 3.48Å; Y161-G163 PolarHBondContact O-N 3.06Å; G163-Q326 PolarHBondContact O-N 2.84Å
164	T	92	Very high	89	Confident	4 Å²	4	44.1 Å²	44.1	3%	0.025	24%	0.24	C	C	.	.			trans	-80	171.6	173.1	64	0	0	0	0	111.9	F166 D167 L168 Y205 Q326 N327	T164-F166 PolarHBondContact O-N 3.13Å; T164-F166 PolarHBondContact OG1-N 3.24Å; T164-D167 WeakPolarHBondContact CB-OD2 3.43Å; T164-D167 PolarHBondContact N-OD2 3.2Å; T164-D167 PolarHBondContact O-N 3.31Å; T164-D167 VanDerWaalsContact O-N 3.13Å; T164-D167 VanDerWaalsContact OG1-CG 3.23Å; T164-D167 PolarHBondContact OG1-N 3.04Å; T164-D167 PolarHBondContact OG1-OD2 3.38Å; T164-L168 PolarHBondContact O-N 2.84Å; T164-Y205 WeakPolarHBondContact CB-O 3.1Å; T164-Y205 PolarHBondContact OG1-O 2.87Å; T164-Q326 HydrophobicContact CG2-CB 4.36Å; T164-N327 VanDerWaalsContact CA-OD1 3.3Å; T164-N327 WeakPolarHBondContact CA-OD1 3.36Å; T164-N327 WeakPolarHBondContact CB-OD1 3.42Å
165	A	93	Very high	88.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-55.3	-36.3	171.2	0	0	0	0	0	112.1	L168 V169 Y205 F216 V325 N327 V330	A165-L168 PolarHBondContact O-N 3.3Å; A165-V169 WeakPolarHBondContact O-CG2 3.48Å; A165-V169 PolarHBondContact O-N 3.24Å; A165-Y205 HydrophobicContact CB-CD1 4.19Å; A165-Y205 PolarHBondContact N-O 3.33Å; A165-F216 HydrophobicContact CB-CD1 4.13Å; A165-F216 HydrophobicContact CB-CD2 3.71Å; A165-F216 HydrophobicContact CB-CE1 4.22Å; A165-F216 HydrophobicContact CB-CE2 3.82Å; A165-F216 HydrophobicContact CB-CG 3.88Å; A165-F216 HydrophobicContact CB-CZ 4.07Å; A165-V325 HydrophobicContact CB-CG2 4.28Å; A165-N327 PolarHBondContact N-OD1 3.19Å; A165-V330 HydrophobicContact CB-CG2 3.84Å
166	F	93.2	Very high	88.2	Confident	27 Å²	27	50.2 Å²	50.2	12%	0.118	27%	0.273	C	S	.	.	H	α-helix	trans	-65.9	-43.7	175.6	-176.5	-102	0	0	0	112.3	T164 L168 V169 K170 L194 A201 M202 Y205	T164-F166 PolarHBondContact O-N 3.13Å; T164-F166 PolarHBondContact OG1-N 3.24Å; F166-L168 VanDerWaalsContact C-N 3.3Å; F166-L168 PolarHBondContact O-N 2.71Å; F166-V169 PolarHBondContact O-N 3.41Å; F166-K170 HydrophobicContact CD1-CD 4.23Å; F166-K170 HydrophobicContact CE1-CD 3.59Å; F166-K170 HydrophobicContact CE1-CG 4.35Å; F166-K170 HydrophobicContact CE2-CD 4.03Å; F166-K170 VanDerWaalsContact CE2-CE 3.41Å; F166-K170 HydrophobicContact CZ-CD 3.52Å; F166-K170 HydrophobicContact CZ-CG 4.4Å; F166-K170 PolarHBondContact O-N 2.95Å; F166-L194 HydrophobicContact CD2-CD1 4.23Å; F166-L194 HydrophobicContact CE2-CB 4.46Å; F166-A201 HydrophobicContact CD2-CB 4.15Å; F166-A201 HydrophobicContact CE2-CB 3.78Å; F166-M202 HydrophobicContact CZ-CG 4.16Å; F166-Y205 VanDerWaalsContact CB-C 3.48Å; F166-Y205 WeakPolarHBondContact CB-O 3.42Å; F166-Y205 PolarHBondContact N-O 3.35Å
167	D	92.2	Very high	88	Confident	67 Å²	67	50.6 Å²	50.6	36%	0.358	28%	0.275	S	S	.	.	H	α-helix	trans	-63.8	-39	178.6	-58.4	-44.1	0	0	0	111	Y161 T164 V169 K170 V171	Y161-D167 HydrophobicContact CE1-CB 4.05Å; Y161-D167 PolarHBondContact OH-O 3.23Å; T164-D167 WeakPolarHBondContact CB-OD2 3.43Å; T164-D167 PolarHBondContact N-OD2 3.2Å; T164-D167 PolarHBondContact O-N 3.31Å; T164-D167 VanDerWaalsContact O-N 3.13Å; T164-D167 VanDerWaalsContact OG1-CG 3.23Å; T164-D167 PolarHBondContact OG1-N 3.04Å; T164-D167 PolarHBondContact OG1-OD2 3.38Å; D167-V169 VanDerWaalsContact C-N 3.25Å; D167-V169 PolarHBondContact O-N 3.38Å; D167-K170 PolarHBondContact O-N 3.09Å; D167-V171 VanDerWaalsContact O-CB 3.27Å; D167-V171 WeakPolarHBondContact O-CB 3.35Å; D167-V171 WeakPolarHBondContact O-CG1 3.48Å; D167-V171 PolarHBondContact O-N 3.46Å
168	L	93.1	Very high	88	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-56.8	-40	176.1	-175.5	151.3	0	0	0	111.8	Y161 T164 A165 F166 Y182 N184 L187 L218 I323 V325	Y161-L168 HydrophobicContact CD1-CB 3.97Å; Y161-L168 HydrophobicContact CD1-CD1 4.27Å; Y161-L168 HydrophobicContact CE1-CB 3.67Å; Y161-L168 HydrophobicContact CE1-CG 4.5Å; Y161-L168 HydrophobicContact CG-CD1 4.18Å; Y161-L168 PolarHBondContact OH-N 3.32Å; T164-L168 PolarHBondContact O-N 2.84Å; A165-L168 PolarHBondContact O-N 3.3Å; F166-L168 VanDerWaalsContact C-N 3.3Å; F166-L168 PolarHBondContact O-N 2.71Å; L168-Y182 HydrophobicContact CD1-CD2 4.43Å; L168-Y182 HydrophobicContact CD1-CE2 4.09Å; L168-N184 WeakPolarHBondContact O-CB 3.45Å; L168-L187 HydrophobicContact CD2-CD1 3.75Å; L168-L218 HydrophobicContact CD2-CD1 4.07Å; L168-I323 HydrophobicContact CD1-CG2 3.73Å; L168-V325 HydrophobicContact CD1-CG1 3.94Å
169	V	93.6	Very high	88.1	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-78	-33.9	-179.7	-178.9	0	0	0	0	112.3	A165 F166 D167 L187 L190 R191 L194 L218	A165-V169 WeakPolarHBondContact O-CG2 3.48Å; A165-V169 PolarHBondContact O-N 3.24Å; F166-V169 PolarHBondContact O-N 3.41Å; D167-V169 VanDerWaalsContact C-N 3.25Å; D167-V169 PolarHBondContact O-N 3.38Å; V169-L187 HydrophobicContact CG1-CB 4.29Å; V169-L187 HydrophobicContact CG2-CD1 4.1Å; V169-L190 HydrophobicContact CG1-CD2 4.46Å; V169-L190 HydrophobicContact CG1-CG 4.28Å; V169-L190 HydrophobicContact CG2-CD2 4.06Å; V169-R191 HydrophobicContact CG1-CB 3.72Å; V169-R191 HydrophobicContact CG1-CG 4.13Å; V169-R191 PolarHBondContact O-NE 3.28Å; V169-L194 HydrophobicContact CB-CD1 3.97Å; V169-L194 HydrophobicContact CG1-CD1 3.81Å; V169-L194 HydrophobicContact CG2-CD1 4.14Å; V169-L218 HydrophobicContact CG2-CD1 3.82Å
170	K	90.9	Very high	88.1	Confident	80 Å²	80	58.6 Å²	58.6	35%	0.348	32%	0.324	S	S	.	.	H	α-helix	trans	-94.9	-23.7	-171.6	-76.4	-153.1	177.2	-176.4	0	115.9	F166 D167 R191	F166-K170 HydrophobicContact CD1-CD 4.23Å; F166-K170 HydrophobicContact CE1-CD 3.59Å; F166-K170 HydrophobicContact CE1-CG 4.35Å; F166-K170 HydrophobicContact CE2-CD 4.03Å; F166-K170 VanDerWaalsContact CE2-CE 3.41Å; F166-K170 HydrophobicContact CZ-CD 3.52Å; F166-K170 HydrophobicContact CZ-CG 4.4Å; F166-K170 PolarHBondContact O-N 2.95Å; D167-K170 PolarHBondContact O-N 3.09Å; K170-R191 HydrophobicContact CG-CG 4.18Å
171	V	88.6	Confident	88	Confident	27 Å²	27	64.7 Å²	64.7	16%	0.164	35%	0.345	C	S	.	.			trans	-52.7	143.3	-177.2	65	0	0	0	0	110.4	Y161 D167 E173 Y176 F177 N184	Y161-V171 WeakPolarHBondContact OH-CG1 3.48Å; D167-V171 VanDerWaalsContact O-CB 3.27Å; D167-V171 WeakPolarHBondContact O-CB 3.35Å; D167-V171 WeakPolarHBondContact O-CG1 3.48Å; D167-V171 PolarHBondContact O-N 3.46Å; V171-E173 HydrophobicContact CG2-CB 4.26Å; V171-Y176 HydrophobicContact CG2-CD2 3.61Å; V171-Y176 HydrophobicContact CG2-CE2 3.86Å; V171-F177 HydrophobicContact CG1-CE2 3.54Å; V171-F177 HydrophobicContact CG1-CZ 3.45Å; V171-F177 VanDerWaalsContact CG1-CZ 3.45Å; V171-N184 WeakPolarHBondContact CG1-ND2 3.31Å; V171-N184 PolarHBondContact O-ND2 3.49Å
172	K	81.5	Confident	87.9	Confident	201 Å²	201	64.7 Å²	64.7	87%	0.874	35%	0.345	S	S	*	.			trans	-104.7	-21.4	178.9	-67.9	-177.1	-179.9	178.5	0	112.8	S174	K172-S174 PolarHBondContact O-N 3Å
173	E	84.5	Confident	88	Confident	116 Å²	116	62.9 Å²	62.9	54%	0.542	33%	0.334	S	S	.	.			trans	-72.7	119	-178.4	-68.7	171.3	-156.2	0	0	110.4	V171 A175 Y176	V171-E173 HydrophobicContact CG2-CB 4.26Å; E173-A175 PolarHBondContact O-N 2.69Å; E173-Y176 HydrophobicContact CB-CD2 3.87Å; E173-Y176 HydrophobicContact CB-CE2 3.95Å; E173-Y176 WeakPolarHBondContact OE2-CE2 3.06Å
174	S	81.1	Confident	88	Confident	100 Å²	100	63 Å²	63	70%	0.699	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-70.5	-20.1	177.9	52.4	0	0	0	0	113.2	K172 Y176 F177 E178	K172-S174 PolarHBondContact O-N 3Å; S174-Y176 PolarHBondContact O-N 2.96Å; S174-Y176 VanDerWaalsContact O-N 3.16Å; S174-F177 PolarHBondContact O-N 3.25Å; S174-E178 PolarHBondContact O-N 3.4Å
175	A	84.4	Confident	87.9	Confident	69 Å²	69	67.1 Å²	67.1	57%	0.57	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-57.9	-29	-178.6	0	0	0	0	0	113.4	E173 F177	E173-A175 PolarHBondContact O-N 2.69Å; A175-F177 PolarHBondContact O-N 3.1Å
176	Y	84.2	Confident	87.9	Confident	96 Å²	96	71.6 Å²	71.6	38%	0.376	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-69.2	-18.4	176.7	-70.6	-75	0	0	0	114.2	Y161 P162 V171 E173 S174	Y161-Y176 HydrophobicContact CE2-CD1 4.46Å; Y161-Y176 HydrophobicContact CE2-CG 4.4Å; P162-Y176 HydrophobicContact CG-CD1 3.91Å; P162-Y176 HydrophobicContact CG-CE1 3.73Å; V171-Y176 HydrophobicContact CG2-CD2 3.61Å; V171-Y176 HydrophobicContact CG2-CE2 3.86Å; E173-Y176 HydrophobicContact CB-CD2 3.87Å; E173-Y176 HydrophobicContact CB-CE2 3.95Å; E173-Y176 WeakPolarHBondContact OE2-CE2 3.06Å; S174-Y176 PolarHBondContact O-N 2.96Å; S174-Y176 VanDerWaalsContact O-N 3.16Å
177	F	87.8	Confident	87.9	Confident	17 Å²	17	70.3 Å²	70.3	8%	0.075	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-108.7	0.1	-176.6	-53.6	-73.4	0	0	0	112.8	V171 S174 A175 G179 K180 Y182 N184	V171-F177 HydrophobicContact CG1-CE2 3.54Å; V171-F177 HydrophobicContact CG1-CZ 3.45Å; V171-F177 VanDerWaalsContact CG1-CZ 3.45Å; S174-F177 PolarHBondContact O-N 3.25Å; A175-F177 PolarHBondContact O-N 3.1Å; F177-G179 PolarHBondContact O-N 3.17Å; F177-K180 WeakPolarHBondContact O-CB 3.4Å; F177-K180 PolarHBondContact O-N 3.47Å; F177-K180 VanDerWaalsContact O-N 3.07Å; F177-Y182 AromaticContact CD1-CD2 3.65Å; F177-Y182 HydrophobicContact CD1-CD2 3.65Å; F177-Y182 AromaticContact CD1-CE2 3.68Å; F177-Y182 HydrophobicContact CD1-CE2 3.68Å; F177-Y182 WeakPolarHBondContact CD1-O 3.49Å; F177-Y182 AromaticContact CE1-CD2 3.8Å; F177-Y182 HydrophobicContact CE1-CD2 3.8Å; F177-Y182 AromaticContact CE1-CE2 3.75Å; F177-Y182 HydrophobicContact CE1-CE2 3.75Å; F177-N184 HydrophobicContact CE1-CB 4.22Å; F177-N184 HydrophobicContact CE2-CB 3.88Å; F177-N184 VanDerWaalsContact CE2-ND2 3.29Å; F177-N184 WeakPolarHBondContact CE2-ND2 3.43Å; F177-N184 HydrophobicContact CZ-CB 3.55Å
178	E	85.1	Confident	87.9	Confident	161 Å²	161	69.6 Å²	69.6	75%	0.752	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	126.3	179.1	-168.9	175.1	-175.7	0	0	110.6	S174 K180	S174-E178 PolarHBondContact O-N 3.4Å; E178-K180 PolarHBondContact O-N 3.16Å
179	G	83.2	Confident	87.9	Confident	84 Å²	84	73.2 Å²	73.2	87%	0.866	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	6.6	-176.3	0	0	0	0	0	115.1	F177	F177-G179 PolarHBondContact O-N 3.17Å
180	K	86	Confident	87.9	Confident	51 Å²	51	73.3 Å²	73.3	22%	0.222	39%	0.386	C	S	.	.			trans	-93	155.1	177.2	-56.9	-56	-179.5	-173.4	0	111.6	E159 F177 E178 Y182	E159-K180 IonicContact OE2-NZ 3.1Å; E159-K180 PolarHBondContact OE2-NZ 2.76Å; F177-K180 WeakPolarHBondContact O-CB 3.4Å; F177-K180 PolarHBondContact O-N 3.47Å; F177-K180 VanDerWaalsContact O-N 3.07Å; E178-K180 PolarHBondContact O-N 3.16Å; K180-Y182 HydrophobicContact CB-CD1 4.14Å; K180-Y182 HydrophobicContact CB-CE1 3.97Å; K180-Y182 HydrophobicContact CG-CE1 4.34Å; K180-Y182 PolarHBondContact O-N 3.45Å
181	R	85.7	Confident	88	Confident	160 Å²	160	73.5 Å²	73.5	60%	0.604	38%	0.384	S	S	*	.	S	Bend	trans	-77.2	-8.9	177	-59.7	-170.1	-177.5	170.5	-9.9	113.5	D69 E158 V320	D69-R181 IonicContact OD2-NH2 3Å; D69-R181 PolarHBondContact OD2-NH2 3.25Å; E158-R181 WeakPolarHBondContact OE1-CD 3.41Å; E158-R181 WeakPolarHBondContact OE1-CG 3.32Å; E158-R181 IonicContact OE1-CZ 3.58Å; E158-R181 IonicContact OE1-NE 2.8Å; E158-R181 PolarHBondContact OE1-NE 2.85Å; E158-R181 IonicContact OE1-NH1 3.49Å; R181-V320 HydrophobicContact CB-CG1 4.35Å
182	Y	87.7	Confident	88.2	Confident	11 Å²	11	77 Å²	77	4%	0.043	40%	0.402	C	S	.	.			trans	-123.6	152.1	-179	58.6	-87.2	0	0	0	110.8	L168 F177 K180 I323	L168-Y182 HydrophobicContact CD1-CD2 4.43Å; L168-Y182 HydrophobicContact CD1-CE2 4.09Å; F177-Y182 AromaticContact CD1-CD2 3.65Å; F177-Y182 HydrophobicContact CD1-CD2 3.65Å; F177-Y182 AromaticContact CD1-CE2 3.68Å; F177-Y182 HydrophobicContact CD1-CE2 3.68Å; F177-Y182 WeakPolarHBondContact CD1-O 3.49Å; F177-Y182 AromaticContact CE1-CD2 3.8Å; F177-Y182 HydrophobicContact CE1-CD2 3.8Å; F177-Y182 AromaticContact CE1-CE2 3.75Å; F177-Y182 HydrophobicContact CE1-CE2 3.75Å; K180-Y182 HydrophobicContact CB-CD1 4.14Å; K180-Y182 HydrophobicContact CB-CE1 3.97Å; K180-Y182 HydrophobicContact CG-CE1 4.34Å; K180-Y182 PolarHBondContact O-N 3.45Å; Y182-I323 HydrophobicContact CD1-CD1 3.65Å; Y182-I323 HydrophobicContact CD1-CG1 3.69Å; Y182-I323 HydrophobicContact CD1-CG2 4.22Å; Y182-I323 HydrophobicContact CD2-CD1 4.16Å; Y182-I323 HydrophobicContact CD2-CG2 4.48Å; Y182-I323 HydrophobicContact CE1-CB 4.49Å; Y182-I323 HydrophobicContact CE1-CD1 4.33Å; Y182-I323 HydrophobicContact CE1-CG1 4Å; Y182-I323 HydrophobicContact CE1-CG2 3.78Å; Y182-I323 HydrophobicContact CE2-CG2 4.08Å; Y182-I323 HydrophobicContact CG-CD1 3.56Å; Y182-I323 HydrophobicContact CG-CG1 4.14Å
183	S	89.7	Confident	88.6	Confident	39 Å²	39	67.5 Å²	67.5	27%	0.273	36%	0.361	S	S	.	.			trans	-141.5	150.8	172.7	179	0	0	0	0	109.2	T185	S183-T185 PolarHBondContact O-N 2.92Å; S183-T185 WeakPolarHBondContact OG-CG2 3.33Å; S183-T185 PolarHBondContact OG-N 3.29Å; S183-T185 PolarHBondContact OG-OG1 3.24Å
184	N	90	Very high	89	Confident	13 Å²	13	62 Å²	62	7%	0.07	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-81.4	-2.5	175.1	68.8	-3.9	0	0	0	113.8	L168 V171 F177 E186 L187 R191	L168-N184 WeakPolarHBondContact O-CB 3.45Å; V171-N184 WeakPolarHBondContact CG1-ND2 3.31Å; V171-N184 PolarHBondContact O-ND2 3.49Å; F177-N184 HydrophobicContact CE1-CB 4.22Å; F177-N184 HydrophobicContact CE2-CB 3.88Å; F177-N184 VanDerWaalsContact CE2-ND2 3.29Å; F177-N184 WeakPolarHBondContact CE2-ND2 3.43Å; F177-N184 HydrophobicContact CZ-CB 3.55Å; N184-E186 PolarHBondContact O-N 3.03Å; N184-L187 PolarHBondContact O-N 3.24Å; N184-L187 VanDerWaalsContact O-N 3.12Å; N184-R191 PolarHBondContact O-NH2 3.3Å
185	T	91.1	Very high	89.5	Confident	90 Å²	90	59.1 Å²	59.1	55%	0.552	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-62.9	-33.5	176.4	52.9	0	0	0	0	111.3	S183 L187 T188 N221	S183-T185 PolarHBondContact O-N 2.92Å; S183-T185 WeakPolarHBondContact OG-CG2 3.33Å; S183-T185 PolarHBondContact OG-N 3.29Å; S183-T185 PolarHBondContact OG-OG1 3.24Å; T185-L187 VanDerWaalsContact C-N 3.26Å; T185-L187 PolarHBondContact O-N 3.09Å; T185-T188 WeakPolarHBondContact O-CG2 3.38Å; T185-N221 PolarHBondContact O-ND2 3.44Å
186	E	91.4	Very high	89.8	Confident	95 Å²	95	61.3 Å²	61.3	44%	0.444	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-82.8	2	176.9	-60	-169.3	179.2	0	0	113.7	N184 N220 N221	N184-E186 PolarHBondContact O-N 3.03Å; E186-N220 HydrophobicContact CB-CB 4.36Å; E186-N220 CarbonylContact O-C 3.57Å; E186-N220 WeakPolarHBondContact O-CA 3.35Å; E186-N221 PolarHBondContact O-N 3.23Å; E186-N221 PolarHBondContact O-ND2 3.49Å; E186-N221 PolarHBondContact O-OD1 3.47Å
187	L	93.8	Very high	90.1	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-111.9	20.1	-177	-55.6	-179.1	0	0	0	112.4	L168 V169 N184 T185 Y189 L190 R191 L218 N220 I332	L168-L187 HydrophobicContact CD2-CD1 3.75Å; V169-L187 HydrophobicContact CG1-CB 4.29Å; V169-L187 HydrophobicContact CG2-CD1 4.1Å; N184-L187 PolarHBondContact O-N 3.24Å; N184-L187 VanDerWaalsContact O-N 3.12Å; T185-L187 VanDerWaalsContact C-N 3.26Å; T185-L187 PolarHBondContact O-N 3.09Å; L187-Y189 PolarHBondContact O-N 3.3Å; L187-L190 PolarHBondContact O-N 3.27Å; L187-R191 WeakPolarHBondContact O-CB 3.34Å; L187-R191 PolarHBondContact O-N 3.35Å; L187-L218 HydrophobicContact CD1-CD1 4.23Å; L187-L218 HydrophobicContact CD2-CB 4.42Å; L187-N220 HydrophobicContact CD2-CB 4.36Å; L187-I332 HydrophobicContact CD2-CG2 4.44Å
188	T	92.7	Very high	90.2	Very high	52 Å²	52	61 Å²	61	32%	0.319	32%	0.322	S	S	.	.	H	α-helix	trans	-61.4	-42.4	-176	47.4	0	0	0	0	113	T185 R191 D192 N221	T185-T188 WeakPolarHBondContact O-CG2 3.38Å; T188-R191 VanDerWaalsContact CG2-NH2 3.3Å; T188-R191 WeakPolarHBondContact O-CB 3.23Å; T188-R191 PolarHBondContact O-N 2.72Å; T188-D192 PolarHBondContact O-N 2.65Å; T188-D192 VanDerWaalsContact O-N 3.11Å; T188-N221 PolarHBondContact N-OD1 3.17Å; T188-N221 VanDerWaalsContact N-OD1 3.17Å; T188-N221 VanDerWaalsContact OG1-CG 3.24Å; T188-N221 PolarHBondContact OG1-ND2 2.92Å; T188-N221 PolarHBondContact OG1-OD1 2.94Å
189	Y	92.4	Very high	90.2	Very high	76 Å²	76	55.7 Å²	55.7	30%	0.298	30%	0.299	S	S	.	.	H	α-helix	trans	-69.7	-38.2	179	-68.6	-48.3	0	0	0	111.9	L187 R191 D192 M193 N221 F224 R230	L187-Y189 PolarHBondContact O-N 3.3Å; Y189-R191 VanDerWaalsContact C-N 3.32Å; Y189-R191 PolarHBondContact O-N 3.4Å; Y189-D192 PolarHBondContact O-N 3.04Å; Y189-M193 WeakPolarHBondContact O-CB 3.44Å; Y189-M193 PolarHBondContact O-N 2.64Å; Y189-N221 HydrophobicContact CD2-CB 3.81Å; Y189-N221 WeakPolarHBondContact CD2-OD1 3.28Å; Y189-N221 HydrophobicContact CE2-CB 4.09Å; Y189-N221 PolarHBondContact N-OD1 2.6Å; Y189-F224 HydrophobicContact CD2-CB 3.89Å; Y189-F224 HydrophobicContact CD2-CD2 4.42Å; Y189-F224 HydrophobicContact CD2-CG 4.43Å; Y189-F224 HydrophobicContact CG-CB 4.25Å; Y189-F224 HydrophobicContact CG-CD2 4.43Å; Y189-F224 HydrophobicContact CG-CG 4.42Å; Y189-R230 VanDerWaalsContact CE1-NH1 3.32Å; Y189-R230 PolarHBondContact OH-NH1 2.76Å; Y189-R230 PolarHBondContact OH-NH2 3.45Å
190	L	93.9	Very high	90.2	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-41	173	-177.5	60.4	0	0	0	111.3	V169 L187 D192 M193 L194 L218 P219 F224 L238	V169-L190 HydrophobicContact CG1-CD2 4.46Å; V169-L190 HydrophobicContact CG1-CG 4.28Å; V169-L190 HydrophobicContact CG2-CD2 4.06Å; L187-L190 PolarHBondContact O-N 3.27Å; L190-D192 PolarHBondContact O-N 3.49Å; L190-M193 WeakPolarHBondContact O-CB 3.47Å; L190-M193 PolarHBondContact O-N 2.96Å; L190-L194 HydrophobicContact CD1-CG 4.36Å; L190-L194 HydrophobicContact CG-CD1 4.36Å; L190-L194 HydrophobicContact CG-CG 4.41Å; L190-L194 WeakPolarHBondContact O-CG 3.38Å; L190-L194 PolarHBondContact O-N 3.33Å; L190-L218 HydrophobicContact CD2-CB 3.7Å; L190-L218 HydrophobicContact CD2-CD1 4.45Å; L190-L218 HydrophobicContact CD2-CD2 3.93Å; L190-L218 HydrophobicContact CD2-CG 4.2Å; L190-P219 HydrophobicContact CD1-CG 4.2Å; L190-F224 HydrophobicContact CB-CE2 4Å; L190-F224 HydrophobicContact CB-CZ 4.29Å; L190-F224 HydrophobicContact CD1-CZ 4.31Å; L190-L238 HydrophobicContact CD1-CD1 4.25Å
191	R	93.3	Very high	90.3	Very high	84 Å²	84	49.3 Å²	49.3	32%	0.317	25%	0.248	S	C	.	.	H	α-helix	trans	-59.9	-44.7	177.5	-165.5	-166.8	-42.5	140.9	7.7	112.4	V169 K170 N184 L187 T188 Y189 G195	V169-R191 HydrophobicContact CG1-CB 3.72Å; V169-R191 HydrophobicContact CG1-CG 4.13Å; V169-R191 PolarHBondContact O-NE 3.28Å; K170-R191 HydrophobicContact CG-CG 4.18Å; N184-R191 PolarHBondContact O-NH2 3.3Å; L187-R191 WeakPolarHBondContact O-CB 3.34Å; L187-R191 PolarHBondContact O-N 3.35Å; T188-R191 VanDerWaalsContact CG2-NH2 3.3Å; T188-R191 WeakPolarHBondContact O-CB 3.23Å; T188-R191 PolarHBondContact O-N 2.72Å; Y189-R191 VanDerWaalsContact C-N 3.32Å; Y189-R191 PolarHBondContact O-N 3.4Å; R191-G195 PolarHBondContact O-N 3.44Å; R191-G195 VanDerWaalsContact O-N 3.08Å
192	D	92	Very high	90.3	Very high	100 Å²	100	47 Å²	47	54%	0.535	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-44.5	174.4	178.9	54.7	0	0	0	111.2	T188 Y189 L190 L194 G195 R196	T188-D192 PolarHBondContact O-N 2.65Å; T188-D192 VanDerWaalsContact O-N 3.11Å; Y189-D192 PolarHBondContact O-N 3.04Å; L190-D192 PolarHBondContact O-N 3.49Å; D192-L194 PolarHBondContact O-N 3.1Å; D192-G195 WeakPolarHBondContact O-CA 3.41Å; D192-G195 PolarHBondContact O-N 3.42Å; D192-R196 PolarHBondContact O-N 3.11Å; D192-R196 IonicContact OD2-NE 3.81Å
193	M	90.7	Very high	90.2	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.005	26%	0.259	C	S	.	.	H	α-helix	trans	-59.3	-48.2	176.6	-164	-69.6	178.7	0	0	112.2	Y189 L190 G195 R196 F197 V233 D234 L238	Y189-M193 WeakPolarHBondContact O-CB 3.44Å; Y189-M193 PolarHBondContact O-N 2.64Å; L190-M193 WeakPolarHBondContact O-CB 3.47Å; L190-M193 PolarHBondContact O-N 2.96Å; M193-G195 PolarHBondContact O-N 3.26Å; M193-R196 WeakPolarHBondContact O-CB 3.3Å; M193-R196 PolarHBondContact O-N 3.07Å; M193-F197 HydrophobicContact CE-CD2 3.43Å; M193-F197 VanDerWaalsContact CE-CD2 3.43Å; M193-F197 HydrophobicContact CE-CE2 3.37Å; M193-F197 PolarHBondContact O-N 2.88Å; M193-F197 HydrophobicContact SD-CD2 3.66Å; M193-F197 HydrophobicContact SD-CE2 4.03Å; M193-V233 HydrophobicContact CE-CG1 3.5Å; M193-V233 HydrophobicContact CG-CG1 4.01Å; M193-D234 WeakPolarHBondContact CE-O 3.44Å; M193-L238 HydrophobicContact CE-CB 3.52Å; M193-L238 HydrophobicContact CE-CD1 4.17Å; M193-L238 HydrophobicContact CE-CD2 4.15Å; M193-L238 HydrophobicContact CE-CG 4.12Å; M193-L238 HydrophobicContact SD-CB 4.09Å; M193-L238 HydrophobicContact SD-CD1 3.67Å; M193-L238 HydrophobicContact SD-CD2 3.75Å; M193-L238 HydrophobicContact SD-CG 4.01Å
194	L	92.1	Very high	90.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-27.5	173.8	-68.3	178.2	0	0	0	112.4	F166 V169 L190 D192 A201 Y205 L238	F166-L194 HydrophobicContact CD2-CD1 4.23Å; F166-L194 HydrophobicContact CE2-CB 4.46Å; V169-L194 HydrophobicContact CB-CD1 3.97Å; V169-L194 HydrophobicContact CG1-CD1 3.81Å; V169-L194 HydrophobicContact CG2-CD1 4.14Å; L190-L194 HydrophobicContact CD1-CG 4.36Å; L190-L194 HydrophobicContact CG-CD1 4.36Å; L190-L194 HydrophobicContact CG-CG 4.41Å; L190-L194 WeakPolarHBondContact O-CG 3.38Å; L190-L194 PolarHBondContact O-N 3.33Å; D192-L194 PolarHBondContact O-N 3.1Å; L194-A201 HydrophobicContact CB-CB 4.09Å; L194-A201 HydrophobicContact CD2-CB 3.77Å; L194-A201 WeakPolarHBondContact O-CB 3.23Å; L194-Y205 HydrophobicContact CD2-CD2 3.99Å; L194-Y205 HydrophobicContact CD2-CE2 4.13Å; L194-Y205 HydrophobicContact CD2-CG 4.22Å; L194-L238 HydrophobicContact CD2-CD1 3.79Å; L194-L238 HydrophobicContact CD2-CD2 3.75Å; L194-L238 HydrophobicContact CD2-CG 4.3Å
195	G	91.5	Very high	90.1	Very high	41 Å²	41	47.2 Å²	47.2	42%	0.423	24%	0.243	S	C	.	.	H	α-helix	trans	-69.9	-33.2	172.4	0	0	0	0	0	113.5	R191 D192 M193	R191-G195 PolarHBondContact O-N 3.44Å; R191-G195 VanDerWaalsContact O-N 3.08Å; D192-G195 WeakPolarHBondContact O-CA 3.41Å; D192-G195 PolarHBondContact O-N 3.42Å; M193-G195 PolarHBondContact O-N 3.26Å
196	R	91.9	Very high	89.9	Confident	114 Å²	114	44 Å²	44	43%	0.43	23%	0.228	S	C	.	.	H	α-helix	trans	-72.6	-27.1	178.2	-68.5	-171.8	-76.2	150.5	-0.5	113.4	D192 M193 P198	D192-R196 PolarHBondContact O-N 3.11Å; D192-R196 IonicContact OD2-NE 3.81Å; M193-R196 WeakPolarHBondContact O-CB 3.3Å; M193-R196 PolarHBondContact O-N 3.07Å; R196-P198 VanDerWaalsContact C-CD 3.48Å; R196-P198 WeakPolarHBondContact O-CD 3.31Å
197	F	90.6	Very high	89.2	Confident	41 Å²	41	40 Å²	40	18%	0.18	21%	0.212	C	C	.	.			trans	-125	65.8	-179.2	-53.2	-73.7	0	0	0	112	M193 D199 V200 A201 R235	M193-F197 HydrophobicContact CE-CD2 3.43Å; M193-F197 VanDerWaalsContact CE-CD2 3.43Å; M193-F197 HydrophobicContact CE-CE2 3.37Å; M193-F197 PolarHBondContact O-N 2.88Å; M193-F197 HydrophobicContact SD-CD2 3.66Å; M193-F197 HydrophobicContact SD-CE2 4.03Å; F197-D199 VanDerWaalsContact C-N 3.26Å; F197-D199 PolarHBondContact O-N 2.94Å; F197-V200 HydrophobicContact CB-CG2 3.63Å; F197-V200 WeakPolarHBondContact O-CG2 3.49Å; F197-A201 WeakPolarHBondContact O-CB 3.49Å; F197-A201 PolarHBondContact O-N 3.31Å; F197-R235 HydrophobicContact CD1-CB 4.08Å; F197-R235 HydrophobicContact CE1-CB 4.16Å; F197-R235 HydrophobicContact CG-CB 4.49Å
198	P	89	Confident	87.8	Confident	65 Å²	65	42.7 Å²	42.7	42%	0.422	23%	0.231	S	C	.	.	H	α-helix	trans	-65	-28.7	-171.8	27.2	-35.5	0	0	0	113.4	R196 M202	R196-P198 VanDerWaalsContact C-CD 3.48Å; R196-P198 WeakPolarHBondContact O-CD 3.31Å; P198-M202 HydrophobicContact CB-CE 4.46Å; P198-M202 WeakPolarHBondContact O-CB 3.32Å; P198-M202 WeakPolarHBondContact O-CE 3.48Å; P198-M202 WeakPolarHBondContact O-CG 3.24Å; P198-M202 PolarHBondContact O-N 2.74Å
199	D	84.5	Confident	86	Confident	51 Å²	51	43.2 Å²	43.2	27%	0.273	25%	0.247	S	C	.	.	H	α-helix	trans	-61.5	-55.5	179.2	56.9	-22.2	0	0	0	111.7	F197 I203 R235	F197-D199 VanDerWaalsContact C-N 3.26Å; F197-D199 PolarHBondContact O-N 2.94Å; D199-I203 WeakPolarHBondContact O-CB 3.34Å; D199-I203 VanDerWaalsContact O-CD1 3.24Å; D199-I203 WeakPolarHBondContact O-CD1 3.47Å; D199-I203 WeakPolarHBondContact O-CG1 3.27Å; D199-I203 PolarHBondContact O-N 3Å; D199-R235 IonicContact OD1-CZ 3.93Å; D199-R235 IonicContact OD1-NH2 3.44Å; D199-R235 PolarHBondContact OD1-NH2 3.11Å; D199-R235 IonicContact OD2-CZ 3.05Å; D199-R235 IonicContact OD2-NE 2.78Å; D199-R235 IonicContact OD2-NH1 3.16Å; D199-R235 PolarHBondContact OD2-NH1 3.35Å; D199-R235 VanDerWaalsContact OD2-NH1 3.1Å; D199-R235 IonicContact OD2-NH2 2.69Å; D199-R235 PolarHBondContact OD2-NH2 3.31Å
200	V	84.6	Confident	83.9	Confident	1 Å²	1	51.4 Å²	51.4	1%	0.006	28%	0.278	C	S	.	.	H	α-helix	trans	-74.2	-33.6	177.4	-67.9	0	0	0	0	112.1	F197 V204 R235 L238 L239 F268	F197-V200 HydrophobicContact CB-CG2 3.63Å; F197-V200 WeakPolarHBondContact O-CG2 3.49Å; V200-V204 VanDerWaalsContact O-CB 3.32Å; V200-V204 WeakPolarHBondContact O-CB 3.35Å; V200-V204 WeakPolarHBondContact O-CG2 2.99Å; V200-V204 PolarHBondContact O-N 3.14Å; V200-R235 HydrophobicContact CG1-CG 3.9Å; V200-R235 HydrophobicContact CG2-CG 4Å; V200-L238 HydrophobicContact CG2-CD2 3.88Å; V200-L239 HydrophobicContact CB-CD2 4.25Å; V200-L239 HydrophobicContact CG1-CD1 4.32Å; V200-F268 HydrophobicContact CG1-CB 4.35Å; V200-F268 HydrophobicContact CG1-CD2 4.12Å; V200-F268 HydrophobicContact CG1-CG 4.16Å
201	A	88	Confident	82.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.292	C	S	.	.	I	π-helix	trans	-64.5	-47.9	-178.8	0	0	0	0	0	111.7	F166 L194 F197 Y205 G206	F166-A201 HydrophobicContact CD2-CB 4.15Å; F166-A201 HydrophobicContact CE2-CB 3.78Å; L194-A201 HydrophobicContact CB-CB 4.09Å; L194-A201 HydrophobicContact CD2-CB 3.77Å; L194-A201 WeakPolarHBondContact O-CB 3.23Å; F197-A201 WeakPolarHBondContact O-CB 3.49Å; F197-A201 PolarHBondContact O-N 3.31Å; A201-Y205 WeakPolarHBondContact O-CA 3.48Å; A201-Y205 VanDerWaalsContact O-CB 3.25Å; A201-Y205 WeakPolarHBondContact O-CB 3.39Å; A201-Y205 PolarHBondContact O-N 2.9Å; A201-G206 PolarHBondContact O-N 2.7Å
202	M	86	Confident	81.4	Confident	111 Å²	111	51.6 Å²	51.6	55%	0.547	29%	0.291	S	S	.	.	I	π-helix	trans	-67.7	-42	178.7	-70.7	-172.1	-62.5	0	0	112	F166 P198 G206 G207	F166-M202 HydrophobicContact CZ-CG 4.16Å; P198-M202 HydrophobicContact CB-CE 4.46Å; P198-M202 WeakPolarHBondContact O-CB 3.32Å; P198-M202 WeakPolarHBondContact O-CE 3.48Å; P198-M202 WeakPolarHBondContact O-CG 3.24Å; P198-M202 PolarHBondContact O-N 2.74Å; M202-G206 CarbonylContact O-C 3.58Å; M202-G206 VanDerWaalsContact O-C 3.23Å; M202-G206 WeakPolarHBondContact O-CA 3.48Å; M202-G206 PolarHBondContact O-N 3.12Å; M202-G206 VanDerWaalsContact O-N 3.13Å; M202-G207 PolarHBondContact O-N 3.1Å
203	I	84.9	Confident	81.3	Confident	65 Å²	65	48.1 Å²	48.1	33%	0.333	27%	0.272	S	S	.	.	I	π-helix	trans	-69.1	-46.4	-175.8	-63.1	172	0	0	0	110.7	D199 G207 N211 I273	D199-I203 WeakPolarHBondContact O-CB 3.34Å; D199-I203 VanDerWaalsContact O-CD1 3.24Å; D199-I203 WeakPolarHBondContact O-CD1 3.47Å; D199-I203 WeakPolarHBondContact O-CG1 3.27Å; D199-I203 PolarHBondContact O-N 3Å; I203-G207 PolarHBondContact O-N 2.96Å; I203-N211 WeakPolarHBondContact CG2-ND2 3.3Å; I203-N211 PolarHBondContact O-ND2 2.98Å; I203-I273 HydrophobicContact CB-CD1 4.25Å; I203-I273 HydrophobicContact CG2-CD1 3.22Å; I203-I273 HydrophobicContact CG2-CG1 4.48Å
204	V	87.1	Confident	81.3	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.012	27%	0.272	C	S	.	.	I	π-helix	trans	-88.9	-50.5	-173.9	-178.4	0	0	0	0	112	V200 F216 L239 V242 I273 N327	V200-V204 VanDerWaalsContact O-CB 3.32Å; V200-V204 WeakPolarHBondContact O-CB 3.35Å; V200-V204 WeakPolarHBondContact O-CG2 2.99Å; V200-V204 PolarHBondContact O-N 3.14Å; V204-F216 HydrophobicContact CG1-CE1 4.28Å; V204-F216 WeakPolarHBondContact O-CE1 3.49Å; V204-L239 HydrophobicContact CB-CD2 4.41Å; V204-L239 HydrophobicContact CG1-CD2 4.44Å; V204-L239 HydrophobicContact CG2-CD2 3.8Å; V204-V242 HydrophobicContact CG1-CB 4.19Å; V204-V242 HydrophobicContact CG1-CG1 3.76Å; V204-V242 HydrophobicContact CG1-CG2 3.9Å; V204-I273 HydrophobicContact CG2-CD1 3.5Å; V204-I273 HydrophobicContact CG2-CG1 4.32Å; V204-N327 PolarHBondContact O-ND2 3.36Å
205	Y	90.5	Very high	81.5	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	27%	0.272	C	S	.	.	I	π-helix	trans	-85.6	-24.8	-175.9	-67.3	-102.9	0	0	0	112.8	T164 A165 F166 L194 A201 F216 L218 L238 V242 N327	T164-Y205 WeakPolarHBondContact CB-O 3.1Å; T164-Y205 PolarHBondContact OG1-O 2.87Å; A165-Y205 HydrophobicContact CB-CD1 4.19Å; A165-Y205 PolarHBondContact N-O 3.33Å; F166-Y205 VanDerWaalsContact CB-C 3.48Å; F166-Y205 WeakPolarHBondContact CB-O 3.42Å; F166-Y205 PolarHBondContact N-O 3.35Å; L194-Y205 HydrophobicContact CD2-CD2 3.99Å; L194-Y205 HydrophobicContact CD2-CE2 4.13Å; L194-Y205 HydrophobicContact CD2-CG 4.22Å; A201-Y205 WeakPolarHBondContact O-CA 3.48Å; A201-Y205 VanDerWaalsContact O-CB 3.25Å; A201-Y205 WeakPolarHBondContact O-CB 3.39Å; A201-Y205 PolarHBondContact O-N 2.9Å; Y205-F216 AromaticContact CD1-CD1 3.68Å; Y205-F216 HydrophobicContact CD1-CD1 3.68Å; Y205-F216 HydrophobicContact CD1-CE1 4.01Å; Y205-F216 AromaticContact CE1-CD1 3.73Å; Y205-F216 HydrophobicContact CE1-CD1 3.73Å; Y205-F216 HydrophobicContact CE1-CE1 4.4Å; Y205-F216 HydrophobicContact CG-CD1 4.33Å; Y205-F216 HydrophobicContact CG-CE1 4.23Å; Y205-L218 HydrophobicContact CD1-CD2 4.16Å; Y205-L218 HydrophobicContact CE1-CD2 3.63Å; Y205-L238 HydrophobicContact CE2-CD1 3.97Å; Y205-L238 HydrophobicContact CE2-CD2 4.25Å; Y205-L238 HydrophobicContact CE2-CG 3.85Å; Y205-L238 WeakPolarHBondContact OH-CD1 3.13Å; Y205-L238 PolarHBondContact OH-O 3.28Å; Y205-V242 HydrophobicContact CE1-CG2 4.25Å; Y205-V242 HydrophobicContact CE2-CG2 3.89Å; Y205-V242 WeakPolarHBondContact OH-CG2 3.42Å; Y205-N327 VanDerWaalsContact C-ND2 3.31Å; Y205-N327 PolarHBondContact O-ND2 2.82Å
206	G	86.3	Confident	81.7	Confident	22 Å²	22	46.2 Å²	46.2	23%	0.227	25%	0.252	C	S	.	.	S	Bend	trans	-104.3	-10.3	-178.9	0	0	0	0	0	115.2	A201 M202 S208	A201-G206 PolarHBondContact O-N 2.7Å; M202-G206 CarbonylContact O-C 3.58Å; M202-G206 VanDerWaalsContact O-C 3.23Å; M202-G206 WeakPolarHBondContact O-CA 3.48Å; M202-G206 PolarHBondContact O-N 3.12Å; M202-G206 VanDerWaalsContact O-N 3.13Å; G206-S208 PolarHBondContact O-N 3.37Å
207	G	77.2	Confident	82	Confident	12 Å²	12	40.8 Å²	40.8	12%	0.124	23%	0.231	C	C	.	.			trans	-70.7	115.2	-178.5	0	0	0	0	0	111.9	M202 I203 N327	M202-G207 PolarHBondContact O-N 3.1Å; I203-G207 PolarHBondContact O-N 2.96Å; G207-N327 WeakPolarHBondContact O-CB 3.3Å
208	S	63.7	Low	82.3	Confident	56 Å²	56	38.9 Å²	38.9	39%	0.392	22%	0.223	S	C	.	.	S	Bend	trans	-106.1	-6.7	-178.7	62.5	0	0	0	0	115.2	R110 G206	R110-S208 PolarHBondContact NH1-O 3.47Å; R110-S208 VanDerWaalsContact NH1-O 3.11Å; R110-S208 PolarHBondContact NH2-O 3.38Å; G206-S208 PolarHBondContact O-N 3.37Å
209	G	56.5	Low	82.7	Confident	63 Å²	63	35.9 Å²	35.9	65%	0.649	20%	0.203	S	C	*	.	S	Bend	trans	-133.2	-42.2	-169.8	0	0	0	0	0	117.6
210	W	48.5	Very low	83.2	Confident	249 Å²	249	33.8 Å²	33.8	94%	0.943	19%	0.192	S	C	*	.	S	Bend	trans	-113.2	-20.4	-169.9	-69.8	85.1	0	0	0	115.3
211	N	59.1	Low	83.7	Confident	60 Å²	60	35.1 Å²	35.1	32%	0.321	20%	0.199	S	C	.	.	S	Bend	trans	-96.8	4.4	-169.8	-62.1	-24.4	0	0	0	114.5	I203 H214 T245	I203-N211 WeakPolarHBondContact CG2-ND2 3.3Å; I203-N211 PolarHBondContact O-ND2 2.98Å; N211-H214 PolarHBondContact O-NE2 3.4Å; N211-T245 WeakPolarHBondContact O-CG2 3.39Å
212	G	75.2	Confident	84	Confident	29 Å²	29	40.8 Å²	40.8	30%	0.299	22%	0.224	S	C	.	.			trans	82.8	168.9	-176.9	0	0	0	0	0	113.5	H214	G212-H214 PolarHBondContact O-CD2 2.77Å
213	F	88.5	Confident	84.4	Confident	27 Å²	27	35.5 Å²	35.5	12%	0.118	20%	0.198	C	C	.	.			trans	-99.1	145.4	178.7	-59.4	-98.3	0	0	0	110.4	Y102 Y112 G246 R247 V248 N327	Y102-F213 HydrophobicContact CD1-CD2 4Å; Y102-F213 HydrophobicContact CD1-CE1 4.32Å; Y102-F213 AromaticContact CD1-CE2 3.18Å; Y102-F213 HydrophobicContact CD1-CE2 3.18Å; Y102-F213 AromaticContact CD1-CZ 3.36Å; Y102-F213 HydrophobicContact CD1-CZ 3.36Å; Y102-F213 HydrophobicContact CD2-CE1 4.42Å; Y102-F213 HydrophobicContact CD2-CE2 4.36Å; Y102-F213 AromaticContact CD2-CZ 3.7Å; Y102-F213 HydrophobicContact CD2-CZ 3.7Å; Y102-F213 HydrophobicContact CE1-CD2 4.36Å; Y102-F213 AromaticContact CE1-CE2 3.29Å; Y102-F213 HydrophobicContact CE1-CE2 3.29Å; Y102-F213 AromaticContact CE1-CZ 3.62Å; Y102-F213 HydrophobicContact CE1-CZ 3.62Å; Y102-F213 HydrophobicContact CE2-CE2 4.44Å; Y102-F213 AromaticContact CE2-CZ 3.92Å; Y102-F213 HydrophobicContact CE2-CZ 3.92Å; Y102-F213 HydrophobicContact CG-CE1 4.07Å; Y102-F213 AromaticContact CG-CE2 3.76Å; Y102-F213 HydrophobicContact CG-CE2 3.76Å; Y102-F213 AromaticContact CG-CZ 3.4Å; Y102-F213 HydrophobicContact CG-CZ 3.4Å; Y102-F213 VanDerWaalsContact CG-CZ 3.4Å; Y102-F213 AromaticContact CZ-CE2 3.95Å; Y102-F213 AromaticContact CZ-CZ 3.87Å; Y112-F213 AromaticContact CE1-CD1 3.54Å; Y112-F213 HydrophobicContact CE1-CD1 3.54Å; Y112-F213 AromaticContact CE1-CE1 3.83Å; Y112-F213 HydrophobicContact CE1-CE1 3.83Å; Y112-F213 HydrophobicContact CE1-CG 4.21Å; F213-G246 PolarHBondContact O-N 2.58Å; F213-R247 PolarHBondContact O-N 3.37Å; F213-V248 HydrophobicContact CB-CG2 3.41Å; F213-V248 VanDerWaalsContact CB-CG2 3.41Å; F213-V248 HydrophobicContact CG-CG2 4.36Å; F213-N327 WeakPolarHBondContact CA-O 3.13Å
214	H	92.5	Very high	84.8	Confident	2 Å²	2	33 Å²	33	1%	0.009	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	164.1	-174.7	-57.5	-88.2	0	0	0	112.8	N211 G212 F216 V242 T243 T245 R247 N327 G328 V329	N211-H214 PolarHBondContact O-NE2 3.4Å; G212-H214 PolarHBondContact O-CD2 2.77Å; H214-F216 HydrophobicContact CB-CD2 4.48Å; H214-F216 HydrophobicContact CB-CE1 4.02Å; H214-F216 HydrophobicContact CB-CE2 3.95Å; H214-F216 HydrophobicContact CB-CZ 3.69Å; H214-V242 HydrophobicContact CB-CG1 3.48Å; H214-V242 VanDerWaalsContact CB-CG1 3.48Å; H214-T243 PolarHBondContact ND1-O 2.91Å; H214-T245 VanDerWaalsContact CE1-CG2 3.42Å; H214-T245 WeakPolarHBondContact CE1-CG2 3.5Å; H214-R247 CarbonylContact C-O 3.57Å; H214-R247 VanDerWaalsContact C-O 3.25Å; H214-N327 PolarHBondContact N-O 2.94Å; H214-N327 VanDerWaalsContact N-O 3.08Å; H214-G328 VanDerWaalsContact O-CA 3.31Å; H214-G328 WeakPolarHBondContact O-CA 3.32Å; H214-V329 PolarHBondContact O-N 3.19Å; H214-V329 VanDerWaalsContact O-N 3.15Å
215	T	95.4	Very high	85	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	124	162.4	-54.3	0	0	0	0	108	F217 V242 T243 R247 V248 L249 W254 V329	T215-F217 HydrophobicContact CG2-CE2 4.34Å; T215-F217 HydrophobicContact CG2-CZ 4.31Å; T215-V242 WeakPolarHBondContact O-CA 3.44Å; T215-T243 WeakPolarHBondContact CB-OG1 3.44Å; T215-T243 HydrophobicContact CG2-CG2 4.49Å; T215-T243 PolarHBondContact N-OG1 3.01Å; T215-T243 PolarHBondContact O-N 2.86Å; T215-T243 VanDerWaalsContact O-N 3.1Å; T215-R247 PolarHBondContact N-O 3.05Å; T215-R247 PolarHBondContact OG1-O 2.79Å; T215-V248 WeakPolarHBondContact OG1-CA 3.06Å; T215-L249 PolarHBondContact OG1-N 2.81Å; T215-W254 HydrophobicContact CG2-CZ3 3.82Å; T215-V329 WeakPolarHBondContact CA-O 3.33Å; T215-V329 HydrophobicContact CG2-CG1 3.78Å
216	F	96.5	Very high	84.9	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.1	-176.2	-57.3	-84.9	0	0	0	110.2	A165 V204 Y205 H214 L218 V242 V325 N327 V329 V330 H331	A165-F216 HydrophobicContact CB-CD1 4.13Å; A165-F216 HydrophobicContact CB-CD2 3.71Å; A165-F216 HydrophobicContact CB-CE1 4.22Å; A165-F216 HydrophobicContact CB-CE2 3.82Å; A165-F216 HydrophobicContact CB-CG 3.88Å; A165-F216 HydrophobicContact CB-CZ 4.07Å; V204-F216 HydrophobicContact CG1-CE1 4.28Å; V204-F216 WeakPolarHBondContact O-CE1 3.49Å; Y205-F216 AromaticContact CD1-CD1 3.68Å; Y205-F216 HydrophobicContact CD1-CD1 3.68Å; Y205-F216 HydrophobicContact CD1-CE1 4.01Å; Y205-F216 AromaticContact CE1-CD1 3.73Å; Y205-F216 HydrophobicContact CE1-CD1 3.73Å; Y205-F216 HydrophobicContact CE1-CE1 4.4Å; Y205-F216 HydrophobicContact CG-CD1 4.33Å; Y205-F216 HydrophobicContact CG-CE1 4.23Å; H214-F216 HydrophobicContact CB-CD2 4.48Å; H214-F216 HydrophobicContact CB-CE1 4.02Å; H214-F216 HydrophobicContact CB-CE2 3.95Å; H214-F216 HydrophobicContact CB-CZ 3.69Å; F216-L218 HydrophobicContact CB-CD2 4.07Å; F216-V242 HydrophobicContact CD1-CG1 3.99Å; F216-V242 HydrophobicContact CD1-CG2 3.88Å; F216-V242 HydrophobicContact CE1-CG1 3.9Å; F216-V242 HydrophobicContact CE1-CG2 4.27Å; F216-V325 HydrophobicContact CE2-CG2 4.47Å; F216-N327 WeakPolarHBondContact CZ-ND2 3.19Å; F216-V329 PolarHBondContact N-O 2.7Å; F216-V330 HydrophobicContact CB-CG2 3.97Å; F216-V330 HydrophobicContact CD2-CG2 4.19Å; F216-V330 HydrophobicContact CG-CG2 4.41Å; F216-V330 CarbonylContact O-C 3.49Å; F216-V330 WeakPolarHBondContact O-CA 3.35Å; F216-H331 PolarHBondContact O-N 3.48Å
217	F	97.7	Very high	85	Confident	1 Å²	1	40.4 Å²	40.4	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	103.7	172.6	-68.9	-71.2	0	0	0	109.5	T215 P219 H241 T243 W254 L281 M283 A298 H331 I333 L337	T215-F217 HydrophobicContact CG2-CE2 4.34Å; T215-F217 HydrophobicContact CG2-CZ 4.31Å; F217-P219 WeakPolarHBondContact O-CD 3.42Å; F217-H241 HydrophobicContact CB-CB 4.38Å; F217-H241 PolarHBondContact N-O 3.22Å; F217-H241 VanDerWaalsContact O-CB 3.3Å; F217-H241 WeakPolarHBondContact O-CB 3.48Å; F217-H241 PolarHBondContact O-CD2 3.19Å; F217-H241 VanDerWaalsContact O-CD2 3.22Å; F217-T243 HydrophobicContact CE2-CG2 4.42Å; F217-W254 HydrophobicContact CE1-CZ3 4.48Å; F217-W254 AromaticContact CE2-CH2 3.78Å; F217-W254 HydrophobicContact CE2-CH2 3.78Å; F217-W254 AromaticContact CE2-CZ3 3.86Å; F217-W254 HydrophobicContact CE2-CZ3 3.86Å; F217-W254 HydrophobicContact CZ-CE3 4.39Å; F217-W254 AromaticContact CZ-CH2 3.65Å; F217-W254 HydrophobicContact CZ-CH2 3.65Å; F217-W254 AromaticContact CZ-CZ3 3.39Å; F217-W254 HydrophobicContact CZ-CZ3 3.39Å; F217-L281 HydrophobicContact CD2-CD1 4.23Å; F217-L281 HydrophobicContact CE2-CD1 4.12Å; F217-M283 HydrophobicContact CE1-CE 3.52Å; F217-M283 HydrophobicContact CZ-CE 3.92Å; F217-M283 HydrophobicContact CZ-CG 4.36Å; F217-A298 HydrophobicContact CD1-CB 3.49Å; F217-A298 VanDerWaalsContact CD1-CB 3.49Å; F217-A298 HydrophobicContact CE1-CB 3.28Å; F217-A298 HydrophobicContact CG-CB 4.22Å; F217-A298 HydrophobicContact CZ-CB 3.86Å; F217-H331 CarbonylContact C-O 3.57Å; F217-H331 WeakPolarHBondContact CA-O 3.49Å; F217-H331 HydrophobicContact CD1-CB 3.93Å; F217-H331 HydrophobicContact CE1-CB 4.12Å; F217-I333 HydrophobicContact CB-CD1 3.81Å; F217-I333 HydrophobicContact CB-CG1 4.36Å; F217-I333 HydrophobicContact CB-CG2 4.45Å; F217-I333 HydrophobicContact CD1-CG2 3.87Å; F217-L337 HydrophobicContact CB-CD1 3.84Å; F217-L337 HydrophobicContact CD2-CD1 3.98Å; F217-L337 HydrophobicContact CG-CD1 3.96Å
218	L	96.9	Very high	85.2	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	109.7	-174.4	-55.2	-172.4	0	0	0	110.1	L168 V169 L187 L190 Y205 F216 N220 V330 H331 I332 I333	L168-L218 HydrophobicContact CD2-CD1 4.07Å; V169-L218 HydrophobicContact CG2-CD1 3.82Å; L187-L218 HydrophobicContact CD1-CD1 4.23Å; L187-L218 HydrophobicContact CD2-CB 4.42Å; L190-L218 HydrophobicContact CD2-CB 3.7Å; L190-L218 HydrophobicContact CD2-CD1 4.45Å; L190-L218 HydrophobicContact CD2-CD2 3.93Å; L190-L218 HydrophobicContact CD2-CG 4.2Å; Y205-L218 HydrophobicContact CD1-CD2 4.16Å; Y205-L218 HydrophobicContact CE1-CD2 3.63Å; F216-L218 HydrophobicContact CB-CD2 4.07Å; L218-N220 PolarHBondContact O-N 2.69Å; L218-V330 HydrophobicContact CB-CG1 4.5Å; L218-V330 HydrophobicContact CD1-CB 4.36Å; L218-V330 HydrophobicContact CD1-CG1 3.38Å; L218-V330 HydrophobicContact CD1-CG2 4.02Å; L218-V330 HydrophobicContact CG-CG1 3.72Å; L218-V330 HydrophobicContact CG-CG2 4.43Å; L218-H331 PolarHBondContact N-O 2.83Å; L218-I332 WeakPolarHBondContact O-CA 3.38Å; L218-I333 PolarHBondContact O-N 3.22Å
219	P	96.6	Very high	86.1	Confident	2 Å²	2	51.7 Å²	51.7	1%	0.013	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	128.2	175.7	26.9	-32.5	0	0	0	110.2	L190 F217 A223 F224 I333 V336	L190-P219 HydrophobicContact CD1-CG 4.2Å; F217-P219 WeakPolarHBondContact O-CD 3.42Å; P219-A223 HydrophobicContact CB-CB 3.63Å; P219-F224 HydrophobicContact CB-CE2 3.92Å; P219-F224 HydrophobicContact CB-CZ 4.28Å; P219-F224 HydrophobicContact CG-CE2 3.73Å; P219-F224 HydrophobicContact CG-CZ 3.7Å; P219-F224 WeakPolarHBondContact O-CE2 3.36Å; P219-I333 WeakPolarHBondContact CA-O 3.42Å; P219-I333 HydrophobicContact CB-CG1 4.39Å; P219-V336 HydrophobicContact CB-CG2 3.98Å; P219-V336 HydrophobicContact CG-CG2 4.41Å
220	N	95.9	Very high	87	Confident	8 Å²	8	55 Å²	55	4%	0.043	24%	0.241	C	C	.	.			trans	-79.2	176.8	174.9	74.1	-2.4	0	0	0	112.1	E186 L187 L218 K222 A223 F224 I332 I333	E186-N220 HydrophobicContact CB-CB 4.36Å; E186-N220 CarbonylContact O-C 3.57Å; E186-N220 WeakPolarHBondContact O-CA 3.35Å; L187-N220 HydrophobicContact CD2-CB 4.36Å; L218-N220 PolarHBondContact O-N 2.69Å; N220-K222 VanDerWaalsContact C-N 3.27Å; N220-K222 PolarHBondContact O-N 3.17Å; N220-K222 WeakPolarHBondContact OD1-CB 3.31Å; N220-K222 PolarHBondContact OD1-N 2.87Å; N220-A223 WeakPolarHBondContact O-CA 3.34Å; N220-A223 WeakPolarHBondContact O-CB 3.46Å; N220-A223 PolarHBondContact O-N 3.21Å; N220-A223 PolarHBondContact OD1-N 3.47Å; N220-F224 WeakPolarHBondContact O-CD2 3.38Å; N220-F224 PolarHBondContact O-N 3.28Å; N220-I332 HydrophobicContact CB-CG2 3.92Å; N220-I333 PolarHBondContact N-O 3.03Å; N220-I333 PolarHBondContact OD1-O 2.7Å
221	N	95.1	Very high	88.4	Confident	28 Å²	28	48.7 Å²	48.7	15%	0.15	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-38.9	-177	-71.7	-22	0	0	0	112.8	T185 E186 T188 Y189 A223 F224 E225	T185-N221 PolarHBondContact O-ND2 3.44Å; E186-N221 PolarHBondContact O-N 3.23Å; E186-N221 PolarHBondContact O-ND2 3.49Å; E186-N221 PolarHBondContact O-OD1 3.47Å; T188-N221 PolarHBondContact N-OD1 3.17Å; T188-N221 VanDerWaalsContact N-OD1 3.17Å; T188-N221 VanDerWaalsContact OG1-CG 3.24Å; T188-N221 PolarHBondContact OG1-ND2 2.92Å; T188-N221 PolarHBondContact OG1-OD1 2.94Å; Y189-N221 HydrophobicContact CD2-CB 3.81Å; Y189-N221 WeakPolarHBondContact CD2-OD1 3.28Å; Y189-N221 HydrophobicContact CE2-CB 4.09Å; Y189-N221 PolarHBondContact N-OD1 2.6Å; N221-A223 PolarHBondContact O-N 2.99Å; N221-F224 PolarHBondContact O-N 2.84Å; N221-F224 VanDerWaalsContact O-N 3.08Å; N221-E225 WeakPolarHBondContact O-CG 3.39Å; N221-E225 PolarHBondContact O-N 2.86Å
222	K	93.5	Very high	89.6	Confident	119 Å²	119	47.7 Å²	47.7	52%	0.517	23%	0.226	S	C	.	.	H	α-helix	trans	-60.2	-32.5	175.2	-172	177.1	-177.2	177.4	0	112.2	N220 E225 K226	N220-K222 VanDerWaalsContact C-N 3.27Å; N220-K222 PolarHBondContact O-N 3.17Å; N220-K222 WeakPolarHBondContact OD1-CB 3.31Å; N220-K222 PolarHBondContact OD1-N 2.87Å; K222-E225 PolarHBondContact O-N 3.06Å; K222-K226 WeakPolarHBondContact O-CG 3.5Å; K222-K226 PolarHBondContact O-N 3Å
223	A	94.2	Very high	90.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-62.5	-42.5	174.4	0	0	0	0	0	112.3	P219 N220 N221 K226 D334 V336	P219-A223 HydrophobicContact CB-CB 3.63Å; N220-A223 WeakPolarHBondContact O-CA 3.34Å; N220-A223 WeakPolarHBondContact O-CB 3.46Å; N220-A223 PolarHBondContact O-N 3.21Å; N220-A223 PolarHBondContact OD1-N 3.47Å; N221-A223 PolarHBondContact O-N 2.99Å; A223-K226 PolarHBondContact O-N 3.19Å; A223-D334 VanDerWaalsContact CA-O 3.27Å; A223-D334 WeakPolarHBondContact CA-O 3.42Å; A223-V336 HydrophobicContact CB-CG2 4.16Å
224	F	93.6	Very high	90.1	Very high	11 Å²	11	47.7 Å²	47.7	5%	0.048	22%	0.22	C	C	.	.	H	α-helix	trans	-74.5	-28.6	178.7	-69.7	-82.3	0	0	0	113	Y189 L190 P219 N220 N221 K226 L227 V233 V336	Y189-F224 HydrophobicContact CD2-CB 3.89Å; Y189-F224 HydrophobicContact CD2-CD2 4.42Å; Y189-F224 HydrophobicContact CD2-CG 4.43Å; Y189-F224 HydrophobicContact CG-CB 4.25Å; Y189-F224 HydrophobicContact CG-CD2 4.43Å; Y189-F224 HydrophobicContact CG-CG 4.42Å; L190-F224 HydrophobicContact CB-CE2 4Å; L190-F224 HydrophobicContact CB-CZ 4.29Å; L190-F224 HydrophobicContact CD1-CZ 4.31Å; P219-F224 HydrophobicContact CB-CE2 3.92Å; P219-F224 HydrophobicContact CB-CZ 4.28Å; P219-F224 HydrophobicContact CG-CE2 3.73Å; P219-F224 HydrophobicContact CG-CZ 3.7Å; P219-F224 WeakPolarHBondContact O-CE2 3.36Å; N220-F224 WeakPolarHBondContact O-CD2 3.38Å; N220-F224 PolarHBondContact O-N 3.28Å; N221-F224 PolarHBondContact O-N 2.84Å; N221-F224 VanDerWaalsContact O-N 3.08Å; F224-K226 VanDerWaalsContact C-N 3.27Å; F224-K226 PolarHBondContact O-N 3.3Å; F224-L227 HydrophobicContact CD1-CD1 4.03Å; F224-L227 WeakPolarHBondContact O-CB 3.41Å; F224-L227 PolarHBondContact O-N 3.15Å; F224-V233 HydrophobicContact CD1-CG2 4.45Å; F224-V233 HydrophobicContact CE1-CG1 4.41Å; F224-V233 HydrophobicContact CE1-CG2 4.19Å; F224-V336 HydrophobicContact CD1-CG2 4.15Å; F224-V336 HydrophobicContact CE1-CG2 4.18Å; F224-V336 HydrophobicContact CG-CG2 4.48Å
225	E	90.9	Very high	90	Very high	120 Å²	120	51.7 Å²	51.7	56%	0.561	24%	0.235	S	C	*	.	H	α-helix	trans	-65.7	-29.9	174.4	-72.1	167.6	-173.7	0	0	112.7	N221 K222 L227	N221-E225 WeakPolarHBondContact O-CG 3.39Å; N221-E225 PolarHBondContact O-N 2.86Å; K222-E225 PolarHBondContact O-N 3.06Å; E225-L227 PolarHBondContact O-N 3.29Å
226	K	89.4	Confident	89.7	Confident	43 Å²	43	53.9 Å²	53.9	19%	0.187	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-13.1	175.6	-68.2	171.2	-176.3	169.3	0	113.3	K222 A223 F224 D334 R335 S341 N342	K222-K226 WeakPolarHBondContact O-CG 3.5Å; K222-K226 PolarHBondContact O-N 3Å; A223-K226 PolarHBondContact O-N 3.19Å; F224-K226 VanDerWaalsContact C-N 3.27Å; F224-K226 PolarHBondContact O-N 3.3Å; K226-D334 VanDerWaalsContact NZ-CG 3.29Å; K226-D334 PolarHBondContact NZ-O 3.09Å; K226-D334 IonicContact NZ-OD1 2.81Å; K226-D334 IonicContact NZ-OD2 2.8Å; K226-D334 PolarHBondContact NZ-OD2 2.96Å; K226-R335 HydrophobicContact CD-CG 3.92Å; K226-S341 PolarHBondContact O-OG 3.41Å; K226-N342 PolarHBondContact O-OD1 2.81Å
227	L	89	Confident	89.4	Confident	17 Å²	17	54 Å²	54	9%	0.089	25%	0.252	C	S	.	.			trans	-76.6	128.1	178.4	-64	178.5	0	0	0	110.5	F224 E225 K229 V233 V336 V339	F224-L227 HydrophobicContact CD1-CD1 4.03Å; F224-L227 WeakPolarHBondContact O-CB 3.41Å; F224-L227 PolarHBondContact O-N 3.15Å; E225-L227 PolarHBondContact O-N 3.29Å; L227-K229 PolarHBondContact O-N 3.32Å; L227-V233 HydrophobicContact CD1-CG2 3.38Å; L227-V336 HydrophobicContact CD1-CB 4.49Å; L227-V336 HydrophobicContact CD1-CG2 3.96Å; L227-V336 HydrophobicContact CD2-CB 4.25Å; L227-V336 HydrophobicContact CD2-CG2 4.38Å; L227-V336 HydrophobicContact CG-CG2 4.27Å; L227-V339 HydrophobicContact CD2-CB 4.14Å; L227-V339 HydrophobicContact CD2-CG1 3.68Å
228	Y	81.5	Confident	89.1	Confident	188 Å²	188	54.2 Å²	54.2	74%	0.737	25%	0.252	S	S	*	.	S	Bend	trans	-59	-34.1	170.9	-179.2	-105.7	0	0	0	112.4
229	K	82.6	Confident	88.9	Confident	118 Å²	118	54.3 Å²	54.3	51%	0.513	25%	0.253	S	S	.	.			trans	-133.7	119.1	-179.1	-86.1	-175	-174.9	-169.1	0	110	L227 D231 A232	L227-K229 PolarHBondContact O-N 3.32Å; K229-D231 VanDerWaalsContact C-N 3.33Å; K229-D231 VanDerWaalsContact CB-OD1 3.28Å; K229-D231 WeakPolarHBondContact CB-OD1 3.37Å; K229-A232 HydrophobicContact CB-CB 4.07Å; K229-A232 WeakPolarHBondContact O-CB 3.43Å; K229-A232 PolarHBondContact O-N 2.88Å
230	R	74.5	Confident	88.8	Confident	131 Å²	131	54.2 Å²	54.2	49%	0.494	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-72	-28.9	179.8	-68	-176.4	175.7	-165.4	-5.3	112.8	Y189 A232	Y189-R230 VanDerWaalsContact CE1-NH1 3.32Å; Y189-R230 PolarHBondContact OH-NH1 2.76Å; Y189-R230 PolarHBondContact OH-NH2 3.45Å; R230-A232 PolarHBondContact O-N 3.04Å
231	D	79	Confident	88.8	Confident	117 Å²	117	54 Å²	54	63%	0.626	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-72.2	-10.8	172.9	61.7	-45.4	0	0	0	113	K229 V233	K229-D231 VanDerWaalsContact C-N 3.33Å; K229-D231 VanDerWaalsContact CB-OD1 3.28Å; K229-D231 WeakPolarHBondContact CB-OD1 3.37Å; D231-V233 PolarHBondContact O-N 2.81Å; D231-V233 VanDerWaalsContact O-N 3.14Å
232	A	82.3	Confident	88.8	Confident	40 Å²	40	52.7 Å²	52.7	33%	0.331	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-62.3	-19.9	175	0	0	0	0	0	112.6	K229 R230 D234 I237 V339	K229-A232 HydrophobicContact CB-CB 4.07Å; K229-A232 WeakPolarHBondContact O-CB 3.43Å; K229-A232 PolarHBondContact O-N 2.88Å; R230-A232 PolarHBondContact O-N 3.04Å; A232-D234 PolarHBondContact O-N 3.24Å; A232-I237 WeakPolarHBondContact O-CD1 3.32Å; A232-V339 HydrophobicContact CB-CG1 4.43Å
233	V	87.2	Confident	88.8	Confident	5 Å²	5	47 Å²	47	3%	0.03	22%	0.22	C	C	.	.			trans	-87.6	102.5	-179.5	-176.4	0	0	0	0	110.1	M193 F224 L227 D231 I237 V336	M193-V233 HydrophobicContact CE-CG1 3.5Å; M193-V233 HydrophobicContact CG-CG1 4.01Å; F224-V233 HydrophobicContact CD1-CG2 4.45Å; F224-V233 HydrophobicContact CE1-CG1 4.41Å; F224-V233 HydrophobicContact CE1-CG2 4.19Å; L227-V233 HydrophobicContact CD1-CG2 3.38Å; D231-V233 PolarHBondContact O-N 2.81Å; D231-V233 VanDerWaalsContact O-N 3.14Å; V233-I237 HydrophobicContact CB-CG2 4.45Å; V233-I237 HydrophobicContact CG1-CB 4.35Å; V233-I237 HydrophobicContact CG1-CG2 3.84Å; V233-I237 HydrophobicContact CG2-CG2 4.47Å; V233-V336 HydrophobicContact CG2-CG1 4.11Å
234	D	88.9	Confident	88.6	Confident	50 Å²	50	47.1 Å²	47.1	27%	0.267	22%	0.22	S	C	.	.			trans	-101.1	-174.5	177.1	67.6	20.4	0	0	0	112.6	M193 A232 S236 I237 L238	M193-D234 WeakPolarHBondContact CE-O 3.44Å; A232-D234 PolarHBondContact O-N 3.24Å; D234-S236 VanDerWaalsContact C-N 3.33Å; D234-S236 PolarHBondContact O-N 2.95Å; D234-S236 WeakPolarHBondContact OD1-CA 3.48Å; D234-S236 WeakPolarHBondContact OD1-CB 3.33Å; D234-S236 PolarHBondContact OD1-N 3.23Å; D234-I237 PolarHBondContact O-N 3.49Å; D234-I237 WeakPolarHBondContact OD1-CG1 2.76Å; D234-I237 PolarHBondContact OD1-N 3.16Å; D234-L238 PolarHBondContact O-N 3.09Å; D234-L238 VanDerWaalsContact O-N 3.07Å
235	R	88.6	Confident	88.3	Confident	86 Å²	86	49 Å²	49	33%	0.325	23%	0.233	S	C	.	.	H	α-helix	trans	-57.7	-42.9	176	-179	-173.7	-63.9	-156.2	-11.4	112.6	F197 D199 V200 I237 L238 L239	F197-R235 HydrophobicContact CD1-CB 4.08Å; F197-R235 HydrophobicContact CE1-CB 4.16Å; F197-R235 HydrophobicContact CG-CB 4.49Å; D199-R235 IonicContact OD1-CZ 3.93Å; D199-R235 IonicContact OD1-NH2 3.44Å; D199-R235 PolarHBondContact OD1-NH2 3.11Å; D199-R235 IonicContact OD2-CZ 3.05Å; D199-R235 IonicContact OD2-NE 2.78Å; D199-R235 IonicContact OD2-NH1 3.16Å; D199-R235 PolarHBondContact OD2-NH1 3.35Å; D199-R235 VanDerWaalsContact OD2-NH1 3.1Å; D199-R235 IonicContact OD2-NH2 2.69Å; D199-R235 PolarHBondContact OD2-NH2 3.31Å; V200-R235 HydrophobicContact CG1-CG 3.9Å; V200-R235 HydrophobicContact CG2-CG 4Å; R235-I237 VanDerWaalsContact C-N 3.33Å; R235-L238 WeakPolarHBondContact O-CB 3.48Å; R235-L238 PolarHBondContact O-N 3.19Å; R235-L239 PolarHBondContact O-N 3.13Å
236	S	89.1	Confident	88.1	Confident	46 Å²	46	43.8 Å²	43.8	32%	0.322	21%	0.211	S	C	.	.	H	α-helix	trans	-65.5	-41.2	-178	-64	0	0	0	0	110.5	D234 L238 L239 T240	D234-S236 VanDerWaalsContact C-N 3.33Å; D234-S236 PolarHBondContact O-N 2.95Å; D234-S236 WeakPolarHBondContact OD1-CA 3.48Å; D234-S236 WeakPolarHBondContact OD1-CB 3.33Å; D234-S236 PolarHBondContact OD1-N 3.23Å; S236-L238 PolarHBondContact O-N 3Å; S236-L239 PolarHBondContact O-N 3.38Å; S236-T240 WeakPolarHBondContact O-CG2 3.41Å; S236-T240 PolarHBondContact O-N 2.8Å
237	I	91.7	Very high	88.1	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-65.7	-36	176.1	-68.5	157.9	0	0	0	111.5	A232 V233 D234 R235 L239 T240 H241 F309 V336 V339	A232-I237 WeakPolarHBondContact O-CD1 3.32Å; V233-I237 HydrophobicContact CB-CG2 4.45Å; V233-I237 HydrophobicContact CG1-CB 4.35Å; V233-I237 HydrophobicContact CG1-CG2 3.84Å; V233-I237 HydrophobicContact CG2-CG2 4.47Å; D234-I237 PolarHBondContact O-N 3.49Å; D234-I237 WeakPolarHBondContact OD1-CG1 2.76Å; D234-I237 PolarHBondContact OD1-N 3.16Å; R235-I237 VanDerWaalsContact C-N 3.33Å; I237-L239 PolarHBondContact O-N 2.9Å; I237-T240 PolarHBondContact O-N 3.49Å; I237-T240 PolarHBondContact O-OG1 3.49Å; I237-H241 PolarHBondContact O-CE1 3.39Å; I237-H241 PolarHBondContact O-ND1 3.01Å; I237-F309 HydrophobicContact CG1-CE1 3.77Å; I237-F309 HydrophobicContact CG1-CZ 3.79Å; I237-V336 HydrophobicContact CG2-CG1 3.81Å; I237-V339 HydrophobicContact CB-CG2 4.31Å; I237-V339 HydrophobicContact CD1-CG2 3.48Å; I237-V339 VanDerWaalsContact CD1-CG2 3.48Å; I237-V339 HydrophobicContact CG1-CG2 3.82Å; I237-V339 HydrophobicContact CG2-CG2 3.51Å
238	L	91.6	Very high	88.2	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-58.6	-35.5	174.2	-172.7	55.6	0	0	0	112.8	L190 M193 L194 V200 Y205 D234 R235 S236	L190-L238 HydrophobicContact CD1-CD1 4.25Å; M193-L238 HydrophobicContact CE-CB 3.52Å; M193-L238 HydrophobicContact CE-CD1 4.17Å; M193-L238 HydrophobicContact CE-CD2 4.15Å; M193-L238 HydrophobicContact CE-CG 4.12Å; M193-L238 HydrophobicContact SD-CB 4.09Å; M193-L238 HydrophobicContact SD-CD1 3.67Å; M193-L238 HydrophobicContact SD-CD2 3.75Å; M193-L238 HydrophobicContact SD-CG 4.01Å; L194-L238 HydrophobicContact CD2-CD1 3.79Å; L194-L238 HydrophobicContact CD2-CD2 3.75Å; L194-L238 HydrophobicContact CD2-CG 4.3Å; V200-L238 HydrophobicContact CG2-CD2 3.88Å; Y205-L238 HydrophobicContact CE2-CD1 3.97Å; Y205-L238 HydrophobicContact CE2-CD2 4.25Å; Y205-L238 HydrophobicContact CE2-CG 3.85Å; Y205-L238 WeakPolarHBondContact OH-CD1 3.13Å; Y205-L238 PolarHBondContact OH-O 3.28Å; D234-L238 PolarHBondContact O-N 3.09Å; D234-L238 VanDerWaalsContact O-N 3.07Å; R235-L238 WeakPolarHBondContact O-CB 3.48Å; R235-L238 PolarHBondContact O-N 3.19Å; S236-L238 PolarHBondContact O-N 3Å
239	L	92.3	Very high	88.8	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-82.3	-18.9	-176.6	-62.4	174.4	0	0	0	113	V200 V204 R235 S236 I237 H241 V242 V266 F268	V200-L239 HydrophobicContact CB-CD2 4.25Å; V200-L239 HydrophobicContact CG1-CD1 4.32Å; V204-L239 HydrophobicContact CB-CD2 4.41Å; V204-L239 HydrophobicContact CG1-CD2 4.44Å; V204-L239 HydrophobicContact CG2-CD2 3.8Å; R235-L239 PolarHBondContact O-N 3.13Å; S236-L239 PolarHBondContact O-N 3.38Å; I237-L239 PolarHBondContact O-N 2.9Å; L239-H241 PolarHBondContact O-N 3.29Å; L239-V242 PolarHBondContact O-N 3.41Å; L239-V266 CarbonylContact C-O 3.54Å; L239-V266 VanDerWaalsContact CB-O 3.29Å; L239-V266 WeakPolarHBondContact CB-O 3.45Å; L239-V266 HydrophobicContact CD2-CG1 4.25Å; L239-F268 HydrophobicContact CD1-CB 3.59Å
240	T	93.3	Very high	89.4	Confident	1 Å²	1	29 Å²	29	1%	0.006	15%	0.148	C	C	.	.	H	α-helix	trans	-64.5	-18.9	172.2	67.5	0	0	0	0	112.8	S236 I237 V242 L279 L281 F309 L337	S236-T240 WeakPolarHBondContact O-CG2 3.41Å; S236-T240 PolarHBondContact O-N 2.8Å; I237-T240 PolarHBondContact O-N 3.49Å; I237-T240 PolarHBondContact O-OG1 3.49Å; T240-V242 PolarHBondContact O-N 3.33Å; T240-L279 HydrophobicContact CG2-CD1 3.46Å; T240-L279 VanDerWaalsContact CG2-CD1 3.46Å; T240-L279 HydrophobicContact CG2-CD2 4.08Å; T240-L279 HydrophobicContact CG2-CG 4.4Å; T240-L281 WeakPolarHBondContact O-CD1 3.44Å; T240-L281 WeakPolarHBondContact O-CD2 3.48Å; T240-F309 HydrophobicContact CG2-CE1 3.49Å; T240-F309 VanDerWaalsContact CG2-CE1 3.49Å; T240-F309 HydrophobicContact CG2-CZ 3.6Å; T240-L337 PolarHBondContact OG1-O 2.89Å; T240-L337 VanDerWaalsContact OG1-O 3.06Å
241	H	95.4	Very high	90.3	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.019	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	3.9	179.8	-66.9	78.1	0	0	0	113.2	F217 I237 L239 V336 L337	F217-H241 HydrophobicContact CB-CB 4.38Å; F217-H241 PolarHBondContact N-O 3.22Å; F217-H241 VanDerWaalsContact O-CB 3.3Å; F217-H241 WeakPolarHBondContact O-CB 3.48Å; F217-H241 PolarHBondContact O-CD2 3.19Å; F217-H241 VanDerWaalsContact O-CD2 3.22Å; I237-H241 PolarHBondContact O-CE1 3.39Å; I237-H241 PolarHBondContact O-ND1 3.01Å; L239-H241 PolarHBondContact O-N 3.29Å; H241-V336 VanDerWaalsContact CE1-CG1 3.49Å; H241-V336 WeakPolarHBondContact CE1-CG1 3.44Å; H241-L337 PolarHBondContact CE1-N 2.8Å; H241-L337 PolarHBondContact CE1-O 2.74Å; H241-L337 PolarHBondContact NE2-N 3.33Å
242	V	95.1	Very high	90.9	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-127.7	128.2	-174.8	-168.7	0	0	0	0	109.4	V204 Y205 H214 T215 F216 L239 T240 S265 V266	V204-V242 HydrophobicContact CG1-CB 4.19Å; V204-V242 HydrophobicContact CG1-CG1 3.76Å; V204-V242 HydrophobicContact CG1-CG2 3.9Å; Y205-V242 HydrophobicContact CE1-CG2 4.25Å; Y205-V242 HydrophobicContact CE2-CG2 3.89Å; Y205-V242 WeakPolarHBondContact OH-CG2 3.42Å; H214-V242 HydrophobicContact CB-CG1 3.48Å; H214-V242 VanDerWaalsContact CB-CG1 3.48Å; T215-V242 WeakPolarHBondContact O-CA 3.44Å; F216-V242 HydrophobicContact CD1-CG1 3.99Å; F216-V242 HydrophobicContact CD1-CG2 3.88Å; F216-V242 HydrophobicContact CE1-CG1 3.9Å; F216-V242 HydrophobicContact CE1-CG2 4.27Å; L239-V242 PolarHBondContact O-N 3.41Å; T240-V242 PolarHBondContact O-N 3.33Å; V242-S265 CarbonylContact O-C 3.53Å; V242-S265 WeakPolarHBondContact O-CA 3.35Å; V242-V266 HydrophobicContact CB-CG2 4.4Å; V242-V266 HydrophobicContact CG1-CG2 4.26Å; V242-V266 PolarHBondContact O-N 3.12Å
243	T	93.8	Very high	91.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	B	Isolated β-bridge	trans	-71.7	162.9	172.8	61.5	0	0	0	0	111.4	H214 T215 F217 R247 W254 P264 V266 L281	H214-T243 PolarHBondContact ND1-O 2.91Å; T215-T243 WeakPolarHBondContact CB-OG1 3.44Å; T215-T243 HydrophobicContact CG2-CG2 4.49Å; T215-T243 PolarHBondContact N-OG1 3.01Å; T215-T243 PolarHBondContact O-N 2.86Å; T215-T243 VanDerWaalsContact O-N 3.1Å; F217-T243 HydrophobicContact CE2-CG2 4.42Å; T243-R247 PolarHBondContact OG1-O 3.17Å; T243-W254 HydrophobicContact CG2-CH2 3.74Å; T243-W254 HydrophobicContact CG2-CZ3 4.27Å; T243-P264 CarbonylContact C-O 3.51Å; T243-V266 WeakPolarHBondContact O-CG2 3.07Å; T243-L281 HydrophobicContact CG2-CB 4.49Å; T243-L281 HydrophobicContact CG2-CD1 3.86Å
244	S	90	Very high	91.5	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.021	9%	0.093	C	C	.	.	P	Polyproline II helix	trans	-54.3	163.1	171.1	57.7	0	0	0	0	114.8	R247 P264 D275	S244-R247 WeakPolarHBondContact O-CB 3.43Å; S244-P264 PolarHBondContact N-O 2.96Å; S244-D275 WeakPolarHBondContact CB-OD1 3.33Å; S244-D275 WeakPolarHBondContact CB-OD2 3.02Å
245	T	88.3	Confident	91.6	Very high	50 Å²	50	17.1 Å²	17.1	31%	0.307	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	143	-176.2	61.1	0	0	0	0	113	N211 H214 R247	N211-T245 WeakPolarHBondContact O-CG2 3.39Å; H214-T245 VanDerWaalsContact CE1-CG2 3.42Å; H214-T245 WeakPolarHBondContact CE1-CG2 3.5Å; T245-R247 VanDerWaalsContact C-N 3.33Å
246	G	87.3	Confident	91.4	Very high	10 Å²	10	14.2 Å²	14.2	10%	0.103	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.7	21.9	177	0	0	0	0	0	113.9	T100 F213	T100-G246 PolarHBondContact N-O 2.83Å; T100-G246 PolarHBondContact OG1-O 3.12Å; F213-G246 PolarHBondContact O-N 2.58Å
247	R	88.2	Confident	91	Very high	53 Å²	53	13.2 Å²	13.2	20%	0.2	7%	0.068	C	C	.	.			trans	-121.5	98.8	178.3	-55.8	-61.4	-176.2	153.5	5.3	109.4	K98 F213 H214 T215 T243 S244 T245 L249 Y263	K98-R247 PolarHBondContact O-NH1 3.08Å; F213-R247 PolarHBondContact O-N 3.37Å; H214-R247 CarbonylContact C-O 3.57Å; H214-R247 VanDerWaalsContact C-O 3.25Å; T215-R247 PolarHBondContact N-O 3.05Å; T215-R247 PolarHBondContact OG1-O 2.79Å; T243-R247 PolarHBondContact OG1-O 3.17Å; S244-R247 WeakPolarHBondContact O-CB 3.43Å; T245-R247 VanDerWaalsContact C-N 3.33Å; R247-L249 HydrophobicContact CB-CD1 4.41Å; R247-L249 HydrophobicContact CB-CG 4.46Å; R247-Y263 HydrophobicContact CG-CD1 4.25Å
248	V	92.2	Very high	90.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.095	C	C	.	.			trans	-112.1	102.2	173.4	-172.8	0	0	0	0	107.5	T100 Y112 S114 F213 T215 F250 V329	T100-V248 HydrophobicContact CG2-CB 4.01Å; T100-V248 PolarHBondContact OG1-N 2.83Å; Y112-V248 HydrophobicContact CD1-CB 3.9Å; Y112-V248 HydrophobicContact CD1-CG1 3.93Å; Y112-V248 HydrophobicContact CD1-CG2 3.77Å; Y112-V248 HydrophobicContact CD2-CG1 3.79Å; Y112-V248 HydrophobicContact CE1-CB 4.37Å; Y112-V248 HydrophobicContact CE1-CG1 4.25Å; Y112-V248 HydrophobicContact CE1-CG2 3.82Å; Y112-V248 HydrophobicContact CE2-CG1 4.11Å; Y112-V248 HydrophobicContact CG-CB 4.04Å; Y112-V248 HydrophobicContact CG-CG1 3.69Å; Y112-V248 HydrophobicContact CG-CG2 4.38Å; S114-V248 PolarHBondContact OG-O 2.91Å; F213-V248 HydrophobicContact CB-CG2 3.41Å; F213-V248 VanDerWaalsContact CB-CG2 3.41Å; F213-V248 HydrophobicContact CG-CG2 4.36Å; T215-V248 WeakPolarHBondContact OG1-CA 3.06Å; V248-F250 HydrophobicContact CG1-CD2 4.49Å; V248-F250 HydrophobicContact CG1-CE2 3.89Å; V248-V329 HydrophobicContact CG1-CB 3.69Å; V248-V329 HydrophobicContact CG1-CG1 3.57Å
249	L	92.6	Very high	90	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.01	9%	0.094	C	C	.	.			trans	-117.6	109.5	-166.8	-60.6	173	0	0	0	109.3	F116 T215 R247 W254 Y263 V329 H331	F116-L249 HydrophobicContact CE1-CD2 4.33Å; F116-L249 HydrophobicContact CZ-CD2 3.72Å; T215-L249 PolarHBondContact OG1-N 2.81Å; R247-L249 HydrophobicContact CB-CD1 4.41Å; R247-L249 HydrophobicContact CB-CG 4.46Å; L249-W254 HydrophobicContact CB-CB 4.24Å; L249-W254 HydrophobicContact CB-CD2 3.89Å; L249-W254 HydrophobicContact CB-CE3 3.41Å; L249-W254 VanDerWaalsContact CB-CE3 3.41Å; L249-W254 HydrophobicContact CB-CG 4.28Å; L249-W254 HydrophobicContact CB-CZ3 3.97Å; L249-W254 HydrophobicContact CD1-CD2 3.73Å; L249-W254 HydrophobicContact CD1-CE3 3.8Å; L249-W254 HydrophobicContact CD1-CG 4.27Å; L249-W254 HydrophobicContact CD1-CH2 4.15Å; L249-W254 HydrophobicContact CD1-CZ2 4.1Å; L249-W254 HydrophobicContact CD1-CZ3 4Å; L249-W254 HydrophobicContact CG-CD2 4.43Å; L249-W254 HydrophobicContact CG-CE3 4.26Å; L249-Y263 HydrophobicContact CD1-CD2 3.35Å; L249-Y263 HydrophobicContact CD1-CE1 4.5Å; L249-Y263 HydrophobicContact CD1-CE2 3.23Å; L249-Y263 HydrophobicContact CD1-CG 4.05Å; L249-V329 WeakPolarHBondContact O-CG1 3.31Å; L249-H331 PolarHBondContact O-NE2 3.27Å
250	F	95	Very high	89.5	Confident	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.			trans	-82.4	166.4	170.7	-69.7	-99.7	0	0	0	109.4	Y112 N128 N129 V248 E252 S253 W254 N322 P324 V329	Y112-F250 AromaticContact CD2-CE2 3.98Å; Y112-F250 HydrophobicContact CD2-CE2 3.98Å; Y112-F250 HydrophobicContact CD2-CZ 4.15Å; Y112-F250 HydrophobicContact CG-CE2 4.41Å; N128-F250 VanDerWaalsContact C-CG 3.41Å; N128-F250 VanDerWaalsContact CA-CE2 3.48Å; N128-F250 HydrophobicContact CB-CD1 4.34Å; N128-F250 HydrophobicContact CB-CD2 4.22Å; N128-F250 HydrophobicContact CB-CE1 3.91Å; N128-F250 HydrophobicContact CB-CE2 3.79Å; N128-F250 HydrophobicContact CB-CG 4.48Å; N128-F250 HydrophobicContact CB-CZ 3.61Å; N128-F250 WeakPolarHBondContact O-CD2 3.31Å; N129-F250 HydrophobicContact CB-CB 3.72Å; N129-F250 HydrophobicContact CB-CD1 3.79Å; N129-F250 HydrophobicContact CB-CG 3.99Å; V248-F250 HydrophobicContact CG1-CD2 4.49Å; V248-F250 HydrophobicContact CG1-CE2 3.89Å; F250-E252 PolarHBondContact O-N 2.86Å; F250-S253 PolarHBondContact N-OG 2.9Å; F250-S253 PolarHBondContact O-N 3.39Å; F250-S253 PolarHBondContact O-OG 3.18Å; F250-W254 WeakPolarHBondContact O-CB 3.35Å; F250-W254 PolarHBondContact O-N 2.87Å; F250-N322 WeakPolarHBondContact CA-OD1 3.33Å; F250-N322 WeakPolarHBondContact CB-OD1 3.39Å; F250-N322 HydrophobicContact CD1-CB 3.83Å; F250-N322 HydrophobicContact CE1-CB 4.37Å; F250-P324 HydrophobicContact CE1-CB 4.41Å; F250-P324 HydrophobicContact CZ-CB 4.2Å; F250-V329 HydrophobicContact CD1-CG2 3.77Å; F250-V329 HydrophobicContact CD2-CG2 4.46Å; F250-V329 HydrophobicContact CE1-CB 4.27Å; F250-V329 HydrophobicContact CE1-CG2 3.52Å; F250-V329 HydrophobicContact CE2-CB 4.14Å; F250-V329 HydrophobicContact CE2-CG2 4.23Å; F250-V329 HydrophobicContact CG-CG2 4.25Å; F250-V329 HydrophobicContact CZ-CB 3.99Å; F250-V329 HydrophobicContact CZ-CG2 3.76Å
251	T	94.4	Very high	89.1	Confident	12 Å²	12	25.5 Å²	25.5	7%	0.074	12%	0.124	C	C	.	.	H	α-helix	trans	-58.8	-46	-174.2	50.8	0	0	0	0	113.2	N129 L255 M283 I296 P321 N322	N129-T251 PolarHBondContact OD1-N 3.24Å; N129-T251 PolarHBondContact OD1-OG1 3.5Å; T251-L255 VanDerWaalsContact O-CB 3.25Å; T251-L255 WeakPolarHBondContact O-CB 3.31Å; T251-L255 VanDerWaalsContact O-CG 3.25Å; T251-L255 WeakPolarHBondContact O-CG 3.22Å; T251-L255 PolarHBondContact O-N 2.84Å; T251-M283 HydrophobicContact CG2-CE 4.33Å; T251-M283 HydrophobicContact CG2-SD 4.12Å; T251-I296 HydrophobicContact CG2-CD1 3.52Å; T251-P321 HydrophobicContact CG2-CB 3.45Å; T251-P321 VanDerWaalsContact CG2-CB 3.45Å; T251-P321 HydrophobicContact CG2-CG 4.39Å; T251-N322 PolarHBondContact N-OD1 2.65Å; T251-N322 PolarHBondContact OG1-ND2 3.41Å; T251-N322 PolarHBondContact OG1-OD1 2.81Å
252	E	91.9	Very high	88.9	Confident	54 Å²	54	28.9 Å²	28.9	25%	0.252	14%	0.137	S	C	.	.	H	α-helix	trans	-70.6	-36.2	-178.3	-178.6	60.6	-153.8	0	0	111.7	F126 N129 R131 F250 Y256	F126-E252 HydrophobicContact CD1-CG 4.22Å; F126-E252 HydrophobicContact CE1-CG 3.96Å; N129-E252 WeakPolarHBondContact O-CB 3.48Å; N129-E252 WeakPolarHBondContact O-CG 3.4Å; N129-E252 WeakPolarHBondContact OD1-CB 3.45Å; N129-E252 PolarHBondContact OD1-N 3.47Å; R131-E252 HydrophobicContact CB-CG 4.19Å; R131-E252 IonicContact CZ-OE1 3.62Å; R131-E252 IonicContact NE-OE1 3.84Å; R131-E252 PolarHBondContact NE-OE1 2.87Å; R131-E252 IonicContact NH2-OE1 3.07Å; R131-E252 PolarHBondContact NH2-OE1 3.02Å; F250-E252 PolarHBondContact O-N 2.86Å; E252-Y256 PolarHBondContact O-N 2.76Å
253	S	90.6	Very high	88.8	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-74.4	-33	180	74.3	0	0	0	0	112.1	F116 F250 Y256	F116-S253 VanDerWaalsContact CE2-O 3.23Å; F116-S253 WeakPolarHBondContact CE2-O 3.34Å; F116-S253 WeakPolarHBondContact CZ-O 3.27Å; F250-S253 PolarHBondContact N-OG 2.9Å; F250-S253 PolarHBondContact O-N 3.39Å; F250-S253 PolarHBondContact O-OG 3.18Å; S253-Y256 WeakPolarHBondContact O-CD1 3.33Å
254	W	91.9	Very high	88.8	Confident	0 Å²	0	30 Å²	30	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-77.5	-40.8	175.1	-155.5	-26.6	0	0	0	112.1	T215 F217 T243 L249 F250 Y256 H261 Y263 L281 T282 M283	T215-W254 HydrophobicContact CG2-CZ3 3.82Å; F217-W254 HydrophobicContact CE1-CZ3 4.48Å; F217-W254 AromaticContact CE2-CH2 3.78Å; F217-W254 HydrophobicContact CE2-CH2 3.78Å; F217-W254 AromaticContact CE2-CZ3 3.86Å; F217-W254 HydrophobicContact CE2-CZ3 3.86Å; F217-W254 HydrophobicContact CZ-CE3 4.39Å; F217-W254 AromaticContact CZ-CH2 3.65Å; F217-W254 HydrophobicContact CZ-CH2 3.65Å; F217-W254 AromaticContact CZ-CZ3 3.39Å; F217-W254 HydrophobicContact CZ-CZ3 3.39Å; T243-W254 HydrophobicContact CG2-CH2 3.74Å; T243-W254 HydrophobicContact CG2-CZ3 4.27Å; L249-W254 HydrophobicContact CB-CB 4.24Å; L249-W254 HydrophobicContact CB-CD2 3.89Å; L249-W254 HydrophobicContact CB-CE3 3.41Å; L249-W254 VanDerWaalsContact CB-CE3 3.41Å; L249-W254 HydrophobicContact CB-CG 4.28Å; L249-W254 HydrophobicContact CB-CZ3 3.97Å; L249-W254 HydrophobicContact CD1-CD2 3.73Å; L249-W254 HydrophobicContact CD1-CE3 3.8Å; L249-W254 HydrophobicContact CD1-CG 4.27Å; L249-W254 HydrophobicContact CD1-CH2 4.15Å; L249-W254 HydrophobicContact CD1-CZ2 4.1Å; L249-W254 HydrophobicContact CD1-CZ3 4Å; L249-W254 HydrophobicContact CG-CD2 4.43Å; L249-W254 HydrophobicContact CG-CE3 4.26Å; F250-W254 WeakPolarHBondContact O-CB 3.35Å; F250-W254 PolarHBondContact O-N 2.87Å; W254-Y256 PolarHBondContact O-N 2.78Å; W254-H261 PolarHBondContact NE1-O 3.45Å; W254-Y263 AromaticContact CE2-CD2 3.74Å; W254-Y263 AromaticContact CE2-CE2 3.96Å; W254-Y263 HydrophobicContact CH2-CD2 4.48Å; W254-Y263 AromaticContact CZ2-CD2 3.62Å; W254-Y263 HydrophobicContact CZ2-CD2 3.62Å; W254-Y263 HydrophobicContact CZ2-CE2 4.31Å; W254-Y263 AromaticContact NE1-CD2 3.76Å; W254-Y263 AromaticContact NE1-CE2 3.64Å; W254-L281 HydrophobicContact CH2-CB 4.26Å; W254-L281 HydrophobicContact CZ2-CB 4.39Å; W254-T282 VanDerWaalsContact CZ2-CA 3.47Å; W254-M283 HydrophobicContact CB-CB 4.39Å; W254-M283 HydrophobicContact CB-SD 4.23Å; W254-M283 HydrophobicContact CD2-CB 3.94Å; W254-M283 HydrophobicContact CD2-CG 3.78Å; W254-M283 HydrophobicContact CD2-SD 4.16Å; W254-M283 HydrophobicContact CE3-CB 4.28Å; W254-M283 HydrophobicContact CE3-CE 4.06Å; W254-M283 HydrophobicContact CE3-CG 3.59Å; W254-M283 HydrophobicContact CE3-SD 3.69Å; W254-M283 HydrophobicContact CG-CB 3.98Å; W254-M283 HydrophobicContact CG-CG 4.25Å; W254-M283 HydrophobicContact CG-SD 4.42Å; W254-M283 HydrophobicContact CZ3-CE 4.32Å; W254-M283 HydrophobicContact CZ3-CG 4.05Å; W254-M283 HydrophobicContact CZ3-SD 4.43Å
255	L	90.6	Very high	89	Confident	28 Å²	28	29.8 Å²	29.8	15%	0.147	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-80.6	10	-177.6	-66.2	170.5	0	0	0	113.8	T251 D257 Y258 M283 N285 I296	T251-L255 VanDerWaalsContact O-CB 3.25Å; T251-L255 WeakPolarHBondContact O-CB 3.31Å; T251-L255 VanDerWaalsContact O-CG 3.25Å; T251-L255 WeakPolarHBondContact O-CG 3.22Å; T251-L255 PolarHBondContact O-N 2.84Å; L255-D257 PolarHBondContact O-N 2.9Å; L255-D257 VanDerWaalsContact O-N 3.07Å; L255-Y258 PolarHBondContact O-N 3.43Å; L255-M283 HydrophobicContact CD2-CB 4.11Å; L255-M283 WeakPolarHBondContact CD2-O 3.16Å; L255-M283 HydrophobicContact CG-CB 4.47Å; L255-N285 HydrophobicContact CD1-CB 4.24Å; L255-N285 HydrophobicContact CD2-CB 4.2Å; L255-I296 HydrophobicContact CD1-CD1 4.37Å; L255-I296 HydrophobicContact CD1-CG1 4.38Å; L255-I296 HydrophobicContact CD1-CG2 4.41Å
256	Y	85	Confident	89.2	Confident	26 Å²	26	27.5 Å²	27.5	10%	0.102	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-56.8	-26.9	-178.1	82.6	-76.5	0	0	0	113.8	F116 N118 E252 S253 W254 H261	F116-Y256 HydrophobicContact CB-CD1 4.42Å; F116-Y256 HydrophobicContact CB-CD2 3.84Å; F116-Y256 HydrophobicContact CB-CE1 4.02Å; F116-Y256 HydrophobicContact CB-CE2 3.38Å; F116-Y256 HydrophobicContact CB-CG 4.32Å; F116-Y256 VanDerWaalsContact CB-CZ 3.45Å; F116-Y256 HydrophobicContact CD1-CD1 4.06Å; F116-Y256 AromaticContact CD1-CE1 3.36Å; F116-Y256 HydrophobicContact CD1-CE1 3.36Å; F116-Y256 HydrophobicContact CD1-CE2 4.3Å; F116-Y256 AromaticContact CD1-CZ 3.48Å; F116-Y256 VanDerWaalsContact CD1-CZ 3.48Å; F116-Y256 WeakPolarHBondContact CD1-OH 3.42Å; F116-Y256 HydrophobicContact CD2-CD1 4.21Å; F116-Y256 HydrophobicContact CD2-CE1 4.3Å; F116-Y256 HydrophobicContact CD2-CG 4.38Å; F116-Y256 HydrophobicContact CE1-CD1 4.36Å; F116-Y256 AromaticContact CE1-CE1 3.82Å; F116-Y256 HydrophobicContact CE1-CE1 3.82Å; F116-Y256 HydrophobicContact CE2-CD1 4.49Å; F116-Y256 AromaticContact CG-CD1 3.96Å; F116-Y256 HydrophobicContact CG-CD1 3.96Å; F116-Y256 HydrophobicContact CG-CD2 4.25Å; F116-Y256 AromaticContact CG-CE1 3.63Å; F116-Y256 HydrophobicContact CG-CE1 3.63Å; F116-Y256 AromaticContact CG-CE2 3.94Å; F116-Y256 HydrophobicContact CG-CE2 3.94Å; F116-Y256 HydrophobicContact CG-CG 4.24Å; F116-Y256 AromaticContact CG-CZ 3.59Å; F116-Y256 HydrophobicContact CZ-CE1 4.44Å; N118-Y256 WeakPolarHBondContact OD1-CD2 3.47Å; E252-Y256 PolarHBondContact O-N 2.76Å; S253-Y256 WeakPolarHBondContact O-CD1 3.33Å; W254-Y256 PolarHBondContact O-N 2.78Å; Y256-H261 AromaticContact CE1-ND1 3.9Å; Y256-H261 AromaticContact CZ-CE1 3.84Å; Y256-H261 AromaticContact CZ-ND1 3.67Å; Y256-H261 PolarHBondContact OH-CE1 3.01Å; Y256-H261 PolarHBondContact OH-ND1 3.41Å; Y256-H261 PolarHBondContact OH-NE2 3.43Å
257	D	80.8	Confident	89.2	Confident	25 Å²	25	31.4 Å²	31.4	13%	0.134	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-117.7	23.1	-179	73.9	-26.5	0	0	0	112.6	L255 G259 S260 H261	L255-D257 PolarHBondContact O-N 2.9Å; L255-D257 VanDerWaalsContact O-N 3.07Å; D257-G259 PolarHBondContact O-N 2.87Å; D257-G259 PolarHBondContact OD1-N 3.44Å; D257-S260 PolarHBondContact O-OG 2.92Å; D257-S260 PolarHBondContact OD1-N 2.82Å; D257-S260 VanDerWaalsContact OD2-CA 3.3Å; D257-S260 WeakPolarHBondContact OD2-CA 3.46Å; D257-S260 WeakPolarHBondContact OD2-CB 3.23Å; D257-S260 PolarHBondContact OD2-N 2.78Å; D257-S260 VanDerWaalsContact OD2-N 3.07Å; D257-H261 IonicContact OD2-CE1 2.67Å; D257-H261 IonicContact OD2-CG 3.96Å; D257-H261 PolarHBondContact OD2-N 3.14Å; D257-H261 IonicContact OD2-ND1 2.69Å; D257-H261 PolarHBondContact OD2-ND1 3.08Å
258	Y	81.5	Confident	89.1	Confident	152 Å²	152	31.4 Å²	31.4	60%	0.596	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	21	-175	-49	-80.9	0	0	0	114.8	L255	L255-Y258 PolarHBondContact O-N 3.43Å
259	G	79.1	Confident	88.6	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.1	24.9	175.8	0	0	0	0	0	114.1	D257 H261 T282 M283 R284	D257-G259 PolarHBondContact O-N 2.87Å; D257-G259 PolarHBondContact OD1-N 3.44Å; G259-H261 VanDerWaalsContact C-N 3.31Å; G259-T282 PolarHBondContact O-OG1 2.96Å; G259-M283 WeakPolarHBondContact CA-O 3.5Å; G259-R284 PolarHBondContact O-NE 3.01Å
260	S	81.6	Confident	88	Confident	41 Å²	41	38.7 Å²	38.7	29%	0.287	19%	0.188	S	C	.	.			trans	-75.2	-23.1	178.3	-50.9	0	0	0	0	112	D257 Y262	D257-S260 PolarHBondContact O-OG 2.92Å; D257-S260 PolarHBondContact OD1-N 2.82Å; D257-S260 VanDerWaalsContact OD2-CA 3.3Å; D257-S260 WeakPolarHBondContact OD2-CA 3.46Å; D257-S260 WeakPolarHBondContact OD2-CB 3.23Å; D257-S260 PolarHBondContact OD2-N 2.78Å; D257-S260 VanDerWaalsContact OD2-N 3.07Å; S260-Y262 WeakPolarHBondContact O-CD2 3.45Å
261	H	86.1	Confident	87.1	Confident	75 Å²	75	45.4 Å²	45.4	35%	0.347	22%	0.224	S	C	.	.			trans	-81.7	125.3	176.5	-79.5	79.6	0	0	0	113.2	W254 Y256 D257 G259 Y263 T282	W254-H261 PolarHBondContact NE1-O 3.45Å; Y256-H261 AromaticContact CE1-ND1 3.9Å; Y256-H261 AromaticContact CZ-CE1 3.84Å; Y256-H261 AromaticContact CZ-ND1 3.67Å; Y256-H261 PolarHBondContact OH-CE1 3.01Å; Y256-H261 PolarHBondContact OH-ND1 3.41Å; Y256-H261 PolarHBondContact OH-NE2 3.43Å; D257-H261 IonicContact OD2-CE1 2.67Å; D257-H261 IonicContact OD2-CG 3.96Å; D257-H261 PolarHBondContact OD2-N 3.14Å; D257-H261 IonicContact OD2-ND1 2.69Å; D257-H261 PolarHBondContact OD2-ND1 3.08Å; G259-H261 VanDerWaalsContact C-N 3.31Å; H261-Y263 HydrophobicContact CB-CE2 4.16Å; H261-T282 PolarHBondContact O-OG1 3.38Å
262	Y	91.1	Very high	86.6	Confident	75 Å²	75	49 Å²	49	29%	0.294	25%	0.245	S	C	.	.			trans	-103.8	141.8	173.7	-69.9	-92.8	0	0	0	110.8	S260 M280 L281 T282 R284 N301	S260-Y262 WeakPolarHBondContact O-CD2 3.45Å; Y262-M280 HydrophobicContact CD1-CB 3.97Å; Y262-M280 HydrophobicContact CG-CB 4.43Å; Y262-L281 CarbonylContact C-O 3.51Å; Y262-L281 WeakPolarHBondContact CA-O 3.24Å; Y262-T282 HydrophobicContact CD1-CG2 3.87Å; Y262-T282 HydrophobicContact CE1-CG2 3.46Å; Y262-T282 VanDerWaalsContact CE1-CG2 3.46Å; Y262-R284 PolarHBondContact OH-NH2 2.91Å; Y262-N301 HydrophobicContact CE1-CB 4.03Å
263	Y	93.1	Very high	86.1	Confident	12 Å²	12	48.4 Å²	48.4	5%	0.047	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137.2	174.9	-64.2	-74.5	0	0	0	110.6	F116 R247 L249 W254 H261 M280 L281	F116-Y263 WeakPolarHBondContact CE1-OH 3.5Å; R247-Y263 HydrophobicContact CG-CD1 4.25Å; L249-Y263 HydrophobicContact CD1-CD2 3.35Å; L249-Y263 HydrophobicContact CD1-CE1 4.5Å; L249-Y263 HydrophobicContact CD1-CE2 3.23Å; L249-Y263 HydrophobicContact CD1-CG 4.05Å; W254-Y263 AromaticContact CE2-CD2 3.74Å; W254-Y263 AromaticContact CE2-CE2 3.96Å; W254-Y263 HydrophobicContact CH2-CD2 4.48Å; W254-Y263 AromaticContact CZ2-CD2 3.62Å; W254-Y263 HydrophobicContact CZ2-CD2 3.62Å; W254-Y263 HydrophobicContact CZ2-CE2 4.31Å; W254-Y263 AromaticContact NE1-CD2 3.76Å; W254-Y263 AromaticContact NE1-CE2 3.64Å; H261-Y263 HydrophobicContact CB-CE2 4.16Å; Y263-M280 CarbonylContact O-C 3.59Å; Y263-M280 WeakPolarHBondContact O-CA 3.35Å; Y263-L281 PolarHBondContact N-O 3.27Å; Y263-L281 PolarHBondContact O-N 2.99Å
264	P	94.3	Very high	86	Confident	11 Å²	11	51.7 Å²	51.7	7%	0.071	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	144.7	176.3	25.6	-30	0	0	0	110.1	T243 S244 D275 N276 F277 M280	T243-P264 CarbonylContact C-O 3.51Å; S244-P264 PolarHBondContact N-O 2.96Å; P264-D275 HydrophobicContact CB-CB 4.13Å; P264-D275 HydrophobicContact CG-CB 3.97Å; P264-N276 WeakPolarHBondContact CB-O 3.39Å; P264-F277 HydrophobicContact CB-CD1 4.06Å; P264-F277 HydrophobicContact CB-CE1 4.28Å; P264-F277 HydrophobicContact CG-CD1 4.14Å; P264-F277 HydrophobicContact CG-CE1 3.89Å; P264-M280 VanDerWaalsContact CA-SD 3.55Å; P264-M280 HydrophobicContact CB-CE 4.44Å; P264-M280 HydrophobicContact CB-SD 3.88Å
265	S	94	Very high	86	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	177	165.3	86	0	0	0	0	110.2	V242 N276 L279	V242-S265 CarbonylContact O-C 3.53Å; V242-S265 WeakPolarHBondContact O-CA 3.35Å; S265-N276 WeakPolarHBondContact O-CB 3.45Å; S265-N276 PolarHBondContact O-N 3.46Å; S265-L279 PolarHBondContact N-O 3.07Å
266	V	91.6	Very high	86	Confident	2 Å²	2	53 Å²	53	1%	0.012	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	150.4	170.2	173.3	0	0	0	0	110.4	L239 V242 T243 I273	L239-V266 CarbonylContact C-O 3.54Å; L239-V266 VanDerWaalsContact CB-O 3.29Å; L239-V266 WeakPolarHBondContact CB-O 3.45Å; L239-V266 HydrophobicContact CD2-CG1 4.25Å; V242-V266 HydrophobicContact CB-CG2 4.4Å; V242-V266 HydrophobicContact CG1-CG2 4.26Å; V242-V266 PolarHBondContact O-N 3.12Å; T243-V266 WeakPolarHBondContact O-CG2 3.07Å; V266-I273 HydrophobicContact CG1-CG2 3.5Å; V266-I273 VanDerWaalsContact CG1-CG2 3.5Å
267	R	88.7	Confident	86.2	Confident	91 Å²	91	58.7 Å²	58.7	34%	0.343	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	159	162.4	66.7	-178.6	-167.8	-174.8	2	111.1	E274 N276	R267-E274 HydrophobicContact CG-CG 3.75Å; R267-E274 IonicContact CZ-OE1 3.05Å; R267-E274 PolarHBondContact N-O 2.87Å; R267-E274 IonicContact NE-OE1 3.52Å; R267-E274 PolarHBondContact NE-OE1 2.86Å; R267-E274 IonicContact NH2-OE1 3.92Å; R267-E274 PolarHBondContact NH2-OE1 2.86Å; R267-E274 PolarHBondContact O-N 3.06Å; R267-N276 HydrophobicContact CB-CB 3.97Å; R267-N276 HydrophobicContact CG-CB 3.95Å
268	F	84.8	Confident	86.6	Confident	53 Å²	53	63.5 Å²	63.5	23%	0.232	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	109.1	176.4	-167.8	-102	0	0	0	109	V200 L239 N271 I273	V200-F268 HydrophobicContact CG1-CB 4.35Å; V200-F268 HydrophobicContact CG1-CD2 4.12Å; V200-F268 HydrophobicContact CG1-CG 4.16Å; L239-F268 HydrophobicContact CD1-CB 3.59Å; F268-N271 VanDerWaalsContact CZ-CA 3.47Å; F268-N271 HydrophobicContact CZ-CB 4.3Å; F268-I273 HydrophobicContact CD2-CG1 4.05Å
269	A	82.4	Confident	87.2	Confident	24 Å²	24	56.4 Å²	56.4	20%	0.198	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.5	-179.4	0	0	0	0	0	109.4	N271 V272 E274	A269-N271 VanDerWaalsContact C-N 3.26Å; A269-N271 PolarHBondContact O-N 3.43Å; A269-N271 VanDerWaalsContact O-N 3.15Å; A269-V272 PolarHBondContact N-O 3.33Å; A269-V272 WeakPolarHBondContact O-CA 3.33Å; A269-V272 PolarHBondContact O-N 3.42Å; A269-E274 HydrophobicContact CB-CG 4.13Å; A269-E274 WeakPolarHBondContact CB-OE1 3.4Å
270	T	80.3	Confident	87.9	Confident	131 Å²	131	58.1 Å²	58.1	80%	0.804	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	40.7	175.7	56	0	0	0	0	114.4	V272	T270-V272 PolarHBondContact O-N 3.23Å
271	N	75.5	Confident	88.6	Confident	141 Å²	141	56.2 Å²	56.2	75%	0.754	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	15.2	-175.1	-57.6	-35.6	0	0	0	115.9	F268 A269	F268-N271 VanDerWaalsContact CZ-CA 3.47Å; F268-N271 HydrophobicContact CZ-CB 4.3Å; A269-N271 VanDerWaalsContact C-N 3.26Å; A269-N271 PolarHBondContact O-N 3.43Å; A269-N271 VanDerWaalsContact O-N 3.15Å
272	V	82.8	Confident	89	Confident	87 Å²	87	52.6 Å²	52.6	53%	0.527	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	144.1	178.5	-177.3	0	0	0	0	109.6	A269 T270	A269-V272 PolarHBondContact N-O 3.33Å; A269-V272 WeakPolarHBondContact O-CA 3.33Å; A269-V272 PolarHBondContact O-N 3.42Å; T270-V272 PolarHBondContact O-N 3.23Å
273	I	83.3	Confident	89.2	Confident	42 Å²	42	49 Å²	49	22%	0.215	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	122.3	172.4	-72.2	170.7	0	0	0	108	I203 V204 V266 F268	I203-I273 HydrophobicContact CB-CD1 4.25Å; I203-I273 HydrophobicContact CG2-CD1 3.22Å; I203-I273 HydrophobicContact CG2-CG1 4.48Å; V204-I273 HydrophobicContact CG2-CD1 3.5Å; V204-I273 HydrophobicContact CG2-CG1 4.32Å; V266-I273 HydrophobicContact CG1-CG2 3.5Å; V266-I273 VanDerWaalsContact CG1-CG2 3.5Å; F268-I273 HydrophobicContact CD2-CG1 4.05Å
274	E	88.1	Confident	89.2	Confident	70 Å²	70	50.2 Å²	50.2	33%	0.327	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	166.4	177.7	63.5	174.8	-169.5	0	0	111.9	R267 A269	R267-E274 HydrophobicContact CG-CG 3.75Å; R267-E274 IonicContact CZ-OE1 3.05Å; R267-E274 PolarHBondContact N-O 2.87Å; R267-E274 IonicContact NE-OE1 3.52Å; R267-E274 PolarHBondContact NE-OE1 2.86Å; R267-E274 IonicContact NH2-OE1 3.92Å; R267-E274 PolarHBondContact NH2-OE1 2.86Å; R267-E274 PolarHBondContact O-N 3.06Å; A269-E274 HydrophobicContact CB-CG 4.13Å; A269-E274 WeakPolarHBondContact CB-OE1 3.4Å
275	D	90.5	Very high	89.1	Confident	50 Å²	50	52.6 Å²	52.6	27%	0.267	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	131.4	179.7	-72.2	0.4	0	0	0	110.7	S244 P264 F277	S244-D275 WeakPolarHBondContact CB-OD1 3.33Å; S244-D275 WeakPolarHBondContact CB-OD2 3.02Å; P264-D275 HydrophobicContact CB-CB 4.13Å; P264-D275 HydrophobicContact CG-CB 3.97Å; D275-F277 HydrophobicContact CB-CD2 4.37Å; D275-F277 HydrophobicContact CB-CE1 4.41Å; D275-F277 HydrophobicContact CB-CE2 3.72Å; D275-F277 HydrophobicContact CB-CZ 3.74Å; D275-F277 PolarHBondContact O-N 2.91Å
276	N	90.9	Very high	89	Confident	4 Å²	4	53.2 Å²	53.2	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	88.5	176.1	-173	9.2	0	0	0	111.1	P264 S265 R267 R278 L279 Y306	P264-N276 WeakPolarHBondContact CB-O 3.39Å; S265-N276 WeakPolarHBondContact O-CB 3.45Å; S265-N276 PolarHBondContact O-N 3.46Å; R267-N276 HydrophobicContact CB-CB 3.97Å; R267-N276 HydrophobicContact CG-CB 3.95Å; N276-R278 PolarHBondContact O-N 3.39Å; N276-R278 VanDerWaalsContact O-N 3.15Å; N276-R278 PolarHBondContact OD1-N 2.82Å; N276-L279 WeakPolarHBondContact ND2-CB 3.48Å; N276-L279 PolarHBondContact O-N 2.97Å; N276-Y306 PolarHBondContact ND2-OH 2.83Å
277	F	89.5	Confident	88.8	Confident	147 Å²	147	56.1 Å²	56.1	65%	0.645	28%	0.282	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	-8	179.2	-62.8	-76.8	0	0	0	114.9	P264 D275	P264-F277 HydrophobicContact CB-CD1 4.06Å; P264-F277 HydrophobicContact CB-CE1 4.28Å; P264-F277 HydrophobicContact CG-CD1 4.14Å; P264-F277 HydrophobicContact CG-CE1 3.89Å; D275-F277 HydrophobicContact CB-CD2 4.37Å; D275-F277 HydrophobicContact CB-CE1 4.41Å; D275-F277 HydrophobicContact CB-CE2 3.72Å; D275-F277 HydrophobicContact CB-CZ 3.74Å; D275-F277 PolarHBondContact O-N 2.91Å
278	R	90.6	Very high	88.7	Confident	126 Å²	126	53 Å²	53	48%	0.475	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-32	175.7	-65.4	-177.4	175.5	172.1	-3.4	112.1	N276 L302 Y306	N276-R278 PolarHBondContact O-N 3.39Å; N276-R278 VanDerWaalsContact O-N 3.15Å; N276-R278 PolarHBondContact OD1-N 2.82Å; R278-L302 HydrophobicContact CB-CD1 4.45Å; R278-L302 VanDerWaalsContact O-CD1 3.24Å; R278-L302 WeakPolarHBondContact O-CD1 3.4Å; R278-Y306 HydrophobicContact CB-CD1 3.97Å; R278-Y306 HydrophobicContact CB-CE1 3.52Å; R278-Y306 HydrophobicContact CG-CD1 4.49Å; R278-Y306 HydrophobicContact CG-CE1 4.41Å
279	L	92.8	Very high	88.6	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.01	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	108.8	-179.1	-168.2	150.8	0	0	0	109.3	T240 S265 N276 L281 L302 F309	T240-L279 HydrophobicContact CG2-CD1 3.46Å; T240-L279 VanDerWaalsContact CG2-CD1 3.46Å; T240-L279 HydrophobicContact CG2-CD2 4.08Å; T240-L279 HydrophobicContact CG2-CG 4.4Å; S265-L279 PolarHBondContact N-O 3.07Å; N276-L279 WeakPolarHBondContact ND2-CB 3.48Å; N276-L279 PolarHBondContact O-N 2.97Å; L279-L281 HydrophobicContact CD2-CD2 4.06Å; L279-L302 HydrophobicContact CB-CD1 4.14Å; L279-F309 HydrophobicContact CD1-CD1 3.75Å; L279-F309 HydrophobicContact CD1-CE1 3.85Å; L279-F309 HydrophobicContact CD1-CG 4.35Å; L279-F309 HydrophobicContact CD1-CZ 4.47Å
280	M	94.6	Very high	88.6	Confident	37 Å²	37	61.9 Å²	61.9	18%	0.182	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.3	-172.9	-59.4	-62.8	-69.9	0	0	110.3	Y262 Y263 P264 S300 N301	Y262-M280 HydrophobicContact CD1-CB 3.97Å; Y262-M280 HydrophobicContact CG-CB 4.43Å; Y263-M280 CarbonylContact O-C 3.59Å; Y263-M280 WeakPolarHBondContact O-CA 3.35Å; P264-M280 VanDerWaalsContact CA-SD 3.55Å; P264-M280 HydrophobicContact CB-CE 4.44Å; P264-M280 HydrophobicContact CB-SD 3.88Å; M280-S300 CarbonylContact O-C 3.25Å; M280-S300 WeakPolarHBondContact O-CA 3.22Å; M280-N301 PolarHBondContact N-O 3.38Å; M280-N301 PolarHBondContact O-N 3.15Å
281	L	96	Very high	88.9	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	141.1	177.9	-59.7	177.4	0	0	0	110.2	F217 T240 T243 W254 Y262 Y263 L279 V299 L337	F217-L281 HydrophobicContact CD2-CD1 4.23Å; F217-L281 HydrophobicContact CE2-CD1 4.12Å; T240-L281 WeakPolarHBondContact O-CD1 3.44Å; T240-L281 WeakPolarHBondContact O-CD2 3.48Å; T243-L281 HydrophobicContact CG2-CB 4.49Å; T243-L281 HydrophobicContact CG2-CD1 3.86Å; W254-L281 HydrophobicContact CH2-CB 4.26Å; W254-L281 HydrophobicContact CZ2-CB 4.39Å; Y262-L281 CarbonylContact C-O 3.51Å; Y262-L281 WeakPolarHBondContact CA-O 3.24Å; Y263-L281 PolarHBondContact N-O 3.27Å; Y263-L281 PolarHBondContact O-N 2.99Å; L279-L281 HydrophobicContact CD2-CD2 4.06Å; L281-V299 CarbonylContact C-O 3.39Å; L281-V299 WeakPolarHBondContact CA-O 3.49Å; L281-L337 HydrophobicContact CD2-CD1 4.08Å
282	T	94.5	Very high	89.4	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	161	168.9	-174.7	0	0	0	0	110.1	W254 G259 H261 Y262 R284 V299	W254-T282 VanDerWaalsContact CZ2-CA 3.47Å; G259-T282 PolarHBondContact O-OG1 2.96Å; H261-T282 PolarHBondContact O-OG1 3.38Å; Y262-T282 HydrophobicContact CD1-CG2 3.87Å; Y262-T282 HydrophobicContact CE1-CG2 3.46Å; Y262-T282 VanDerWaalsContact CE1-CG2 3.46Å; T282-R284 HydrophobicContact CG2-CG 4.2Å; T282-V299 HydrophobicContact CG2-CB 3.88Å; T282-V299 HydrophobicContact CG2-CG1 4.48Å; T282-V299 PolarHBondContact N-O 3.31Å; T282-V299 PolarHBondContact O-N 3.39Å
283	M	94.9	Very high	89.7	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	135.9	164.5	-80.5	-171.9	171.8	0	0	109.7	F217 T251 W254 L255 G259 I296 Y297 V318 H331	F217-M283 HydrophobicContact CE1-CE 3.52Å; F217-M283 HydrophobicContact CZ-CE 3.92Å; F217-M283 HydrophobicContact CZ-CG 4.36Å; T251-M283 HydrophobicContact CG2-CE 4.33Å; T251-M283 HydrophobicContact CG2-SD 4.12Å; W254-M283 HydrophobicContact CB-CB 4.39Å; W254-M283 HydrophobicContact CB-SD 4.23Å; W254-M283 HydrophobicContact CD2-CB 3.94Å; W254-M283 HydrophobicContact CD2-CG 3.78Å; W254-M283 HydrophobicContact CD2-SD 4.16Å; W254-M283 HydrophobicContact CE3-CB 4.28Å; W254-M283 HydrophobicContact CE3-CE 4.06Å; W254-M283 HydrophobicContact CE3-CG 3.59Å; W254-M283 HydrophobicContact CE3-SD 3.69Å; W254-M283 HydrophobicContact CG-CB 3.98Å; W254-M283 HydrophobicContact CG-CG 4.25Å; W254-M283 HydrophobicContact CG-SD 4.42Å; W254-M283 HydrophobicContact CZ3-CE 4.32Å; W254-M283 HydrophobicContact CZ3-CG 4.05Å; W254-M283 HydrophobicContact CZ3-SD 4.43Å; L255-M283 HydrophobicContact CD2-CB 4.11Å; L255-M283 WeakPolarHBondContact CD2-O 3.16Å; L255-M283 HydrophobicContact CG-CB 4.47Å; G259-M283 WeakPolarHBondContact CA-O 3.5Å; M283-I296 HydrophobicContact SD-CG2 4.25Å; M283-Y297 CarbonylContact C-O 3.44Å; M283-Y297 VanDerWaalsContact CA-O 3.28Å; M283-Y297 WeakPolarHBondContact CA-O 3.26Å; M283-V318 HydrophobicContact CE-CG2 4.44Å; M283-H331 HydrophobicContact CE-CB 4.34Å; M283-H331 VanDerWaalsContact CE-CD2 3.45Å; M283-H331 WeakPolarHBondContact CE-CD2 3.34Å; M283-H331 WeakPolarHBondContact CE-NE2 3.23Å
284	R	93	Very high	90	Very high	36 Å²	36	64.8 Å²	64.8	14%	0.136	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	145.7	175.9	-67	-61.5	-167.7	124.3	21.3	110.3	G259 Y262 T282 I296 Y297 V299 W315 E469	G259-R284 PolarHBondContact O-NE 3.01Å; Y262-R284 PolarHBondContact OH-NH2 2.91Å; T282-R284 HydrophobicContact CG2-CG 4.2Å; R284-I296 WeakPolarHBondContact O-CA 3.23Å; R284-Y297 PolarHBondContact N-O 3.01Å; R284-Y297 PolarHBondContact O-N 3.29Å; R284-V299 HydrophobicContact CB-CG2 4.11Å; R284-V299 HydrophobicContact CG-CG2 3.88Å; R284-W315 HydrophobicContact CB-CE3 4.42Å; R284-W315 HydrophobicContact CB-CH2 3.81Å; R284-W315 HydrophobicContact CB-CZ3 3.47Å; R284-W315 VanDerWaalsContact CB-CZ3 3.47Å; R284-W315 HydrophobicContact CG-CH2 3.75Å; R284-W315 HydrophobicContact CG-CZ3 3.9Å; R284-E469 IonicContact CZ-OE1 2.8Å; R284-E469 VanDerWaalsContact CZ-OE1 3.28Å; R284-E469 IonicContact NH1-OE1 3.49Å; R284-E469 IonicContact NH2-OE1 3.64Å; R284-E469 PolarHBondContact NH2-OE1 3.44Å
285	N	92.3	Very high	90.3	Very high	62 Å²	62	62.3 Å²	62.3	33%	0.332	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.5	172.7	-177.4	5.5	0	0	0	109.5	L255 W294 T295	L255-N285 HydrophobicContact CD1-CB 4.24Å; L255-N285 HydrophobicContact CD2-CB 4.2Å; N285-W294 VanDerWaalsContact ND2-CE3 3.32Å; N285-W294 VanDerWaalsContact OD1-CB 3.32Å; N285-W294 WeakPolarHBondContact OD1-CB 3.15Å; N285-T295 PolarHBondContact OD1-O 3.4Å
286	L	91.1	Very high	90.5	Very high	12 Å²	12	60.7 Å²	60.7	6%	0.063	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	122.2	173.3	-60.7	-178.3	0	0	0	109.8	W294 T295 Y297 W315 W467 Q468	L286-W294 CarbonylContact O-C 3.52Å; L286-W294 WeakPolarHBondContact O-CA 3.21Å; L286-T295 PolarHBondContact N-O 3.26Å; L286-T295 PolarHBondContact O-N 3.33Å; L286-Y297 HydrophobicContact CB-CD2 4.31Å; L286-Y297 HydrophobicContact CB-CE2 4.01Å; L286-Y297 HydrophobicContact CD1-CD2 3.95Å; L286-Y297 HydrophobicContact CD1-CE2 3.77Å; L286-Y297 HydrophobicContact CG-CD2 4.02Å; L286-Y297 HydrophobicContact CG-CE2 4.06Å; L286-W315 HydrophobicContact CD1-CE3 4.2Å; L286-W315 HydrophobicContact CD1-CZ3 3.84Å; L286-W315 HydrophobicContact CD2-CH2 4.42Å; L286-W315 HydrophobicContact CD2-CZ3 4.15Å; L286-W315 HydrophobicContact CG-CZ3 4.04Å; L286-W467 HydrophobicContact CB-CH2 4.13Å; L286-W467 HydrophobicContact CB-CZ2 3.73Å; L286-W467 HydrophobicContact CD1-CH2 3.74Å; L286-W467 HydrophobicContact CD1-CZ2 4.1Å; L286-W467 HydrophobicContact CD1-CZ3 4.01Å; L286-W467 HydrophobicContact CD2-CZ2 4.48Å; L286-W467 HydrophobicContact CG-CH2 4.45Å; L286-W467 HydrophobicContact CG-CZ2 4.32Å; L286-Q468 HydrophobicContact CD1-CB 4.09Å; L286-Q468 HydrophobicContact CD1-CG 4.12Å
287	T	88.9	Confident	90.8	Very high	64 Å²	64	62 Å²	62	39%	0.393	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.8	177.7	-53.9	0	0	0	0	110.2	R289 W294	T287-R289 PolarHBondContact O-N 3.38Å; T287-W294 HydrophobicContact CG2-CB 4.4Å
288	D	86	Confident	91.2	Very high	24 Å²	24	55 Å²	55	13%	0.128	26%	0.257	C	S	.	.			trans	-73.1	118.6	166.9	172.8	1.2	0	0	0	108.6	K290 T291 G292 R293 Y353	D288-K290 VanDerWaalsContact C-N 3.28Å; D288-K290 PolarHBondContact O-N 3.2Å; D288-K290 WeakPolarHBondContact OD1-CB 3.48Å; D288-K290 PolarHBondContact OD1-N 2.98Å; D288-T291 WeakPolarHBondContact CB-OG1 3.28Å; D288-T291 PolarHBondContact OD1-N 3.22Å; D288-T291 WeakPolarHBondContact OD2-CB 3.31Å; D288-T291 VanDerWaalsContact OD2-CG2 3.24Å; D288-T291 WeakPolarHBondContact OD2-CG2 3.33Å; D288-T291 PolarHBondContact OD2-OG1 2.85Å; D288-G292 VanDerWaalsContact O-CA 3.22Å; D288-G292 WeakPolarHBondContact O-CA 3.31Å; D288-G292 PolarHBondContact O-N 2.86Å; D288-R293 WeakPolarHBondContact CB-O 3.38Å; D288-R293 PolarHBondContact N-O 2.85Å; D288-Y353 HydrophobicContact CB-CE1 4.38Å
289	R	82.4	Confident	91.4	Very high	148 Å²	148	49.1 Å²	49.1	56%	0.558	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-19.4	-177.4	-66.4	-173.4	-178.3	165	11.7	113	T287 D482	T287-R289 PolarHBondContact O-N 3.38Å; R289-D482 IonicContact CZ-OD2 3.44Å; R289-D482 IonicContact NH1-OD2 2.7Å; R289-D482 PolarHBondContact NH1-OD2 3.04Å; R289-D482 IonicContact NH2-OD2 3.61Å
290	K	82.3	Confident	91.6	Very high	117 Å²	117	49.2 Å²	49.2	51%	0.509	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-50.6	177.5	-64.3	-174.2	-177.8	-170.4	0	111.6	D288 E387 D390	D288-K290 VanDerWaalsContact C-N 3.28Å; D288-K290 PolarHBondContact O-N 3.2Å; D288-K290 WeakPolarHBondContact OD1-CB 3.48Å; D288-K290 PolarHBondContact OD1-N 2.98Å; K290-E387 HydrophobicContact CD-CG 4.44Å; K290-E387 WeakPolarHBondContact CE-OE1 3.49Å; K290-E387 HydrophobicContact CG-CG 4.03Å; K290-D390 WeakPolarHBondContact CE-OD2 3.28Å; K290-D390 IonicContact NZ-OD1 3.92Å; K290-D390 IonicContact NZ-OD2 2.64Å; K290-D390 PolarHBondContact NZ-OD2 2.86Å
291	T	86.2	Confident	91.5	Very high	95 Å²	95	48.5 Å²	48.5	58%	0.583	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-17.6	-175	62.8	0	0	0	0	113	D288 R293	D288-T291 WeakPolarHBondContact CB-OG1 3.28Å; D288-T291 PolarHBondContact OD1-N 3.22Å; D288-T291 WeakPolarHBondContact OD2-CB 3.31Å; D288-T291 VanDerWaalsContact OD2-CG2 3.24Å; D288-T291 WeakPolarHBondContact OD2-CG2 3.33Å; D288-T291 PolarHBondContact OD2-OG1 2.85Å; T291-R293 PolarHBondContact O-N 3.14Å; T291-R293 WeakPolarHBondContact OG1-CB 3.22Å; T291-R293 PolarHBondContact OG1-N 2.75Å
292	G	86.8	Confident	91.3	Very high	50 Å²	50	48.8 Å²	48.8	52%	0.515	23%	0.234	S	C	.	.			trans	69.6	0.9	-169.7	0	0	0	0	0	113.3	D288	D288-G292 VanDerWaalsContact O-CA 3.22Å; D288-G292 WeakPolarHBondContact O-CA 3.31Å; D288-G292 PolarHBondContact O-N 2.86Å
293	R	89.5	Confident	90.7	Very high	178 Å²	178	52.4 Å²	52.4	67%	0.672	26%	0.256	S	S	*	.			trans	-75.2	140.3	177.4	-171.3	177.9	-179.5	175.6	3.6	109.2	D288 T291	D288-R293 WeakPolarHBondContact CB-O 3.38Å; D288-R293 PolarHBondContact N-O 2.85Å; T291-R293 PolarHBondContact O-N 3.14Å; T291-R293 WeakPolarHBondContact OG1-CB 3.22Å; T291-R293 PolarHBondContact OG1-N 2.75Å
294	W	90.4	Very high	90.1	Very high	139 Å²	139	58.8 Å²	58.8	53%	0.527	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	148.2	179.7	63.1	-91	0	0	0	110.4	N285 L286 T287 I296	N285-W294 VanDerWaalsContact ND2-CE3 3.32Å; N285-W294 VanDerWaalsContact OD1-CB 3.32Å; N285-W294 WeakPolarHBondContact OD1-CB 3.15Å; L286-W294 CarbonylContact O-C 3.52Å; L286-W294 WeakPolarHBondContact O-CA 3.21Å; T287-W294 HydrophobicContact CG2-CB 4.4Å; W294-I296 HydrophobicContact CE3-CD1 4.47Å; W294-I296 HydrophobicContact CE3-CG1 3.82Å; W294-I296 HydrophobicContact CH2-CD1 4.07Å; W294-I296 HydrophobicContact CH2-CG1 4.31Å; W294-I296 HydrophobicContact CZ3-CD1 3.48Å; W294-I296 VanDerWaalsContact CZ3-CD1 3.48Å; W294-I296 HydrophobicContact CZ3-CG1 3.29Å
295	T	93.7	Very high	89.5	Confident	18 Å²	18	64.9 Å²	64.9	11%	0.11	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.2	-177.5	-59.7	0	0	0	0	109.4	N285 L286 Y297 K317	N285-T295 PolarHBondContact OD1-O 3.4Å; L286-T295 PolarHBondContact N-O 3.26Å; L286-T295 PolarHBondContact O-N 3.33Å; T295-Y297 HydrophobicContact CG2-CD2 4.21Å; T295-Y297 HydrophobicContact CG2-CE2 3.52Å; T295-Y297 WeakPolarHBondContact O-CD2 3.42Å; T295-K317 HydrophobicContact CG2-CD 3.8Å; T295-K317 HydrophobicContact CG2-CG 3.66Å
296	I	95.3	Very high	89.1	Confident	15 Å²	15	63.3 Å²	63.3	8%	0.077	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	136.2	177.8	-50.2	175.7	0	0	0	109.4	T251 L255 M283 R284 W294 V318	T251-I296 HydrophobicContact CG2-CD1 3.52Å; L255-I296 HydrophobicContact CD1-CD1 4.37Å; L255-I296 HydrophobicContact CD1-CG1 4.38Å; L255-I296 HydrophobicContact CD1-CG2 4.41Å; M283-I296 HydrophobicContact SD-CG2 4.25Å; R284-I296 WeakPolarHBondContact O-CA 3.23Å; W294-I296 HydrophobicContact CE3-CD1 4.47Å; W294-I296 HydrophobicContact CE3-CG1 3.82Å; W294-I296 HydrophobicContact CH2-CD1 4.07Å; W294-I296 HydrophobicContact CH2-CG1 4.31Å; W294-I296 HydrophobicContact CZ3-CD1 3.48Å; W294-I296 VanDerWaalsContact CZ3-CD1 3.48Å; W294-I296 HydrophobicContact CZ3-CG1 3.29Å; I296-V318 HydrophobicContact CB-CB 4.24Å; I296-V318 HydrophobicContact CB-CG2 4.42Å; I296-V318 HydrophobicContact CG2-CB 4.34Å; I296-V318 HydrophobicContact CG2-CG2 4.02Å; I296-V318 PolarHBondContact O-N 2.99Å
297	Y	96.5	Very high	88.5	Confident	31 Å²	31	69.4 Å²	69.4	12%	0.122	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.9	174	-66.3	-95.4	0	0	0	110	M283 R284 L286 T295 W315 A316 K317	M283-Y297 CarbonylContact C-O 3.44Å; M283-Y297 VanDerWaalsContact CA-O 3.28Å; M283-Y297 WeakPolarHBondContact CA-O 3.26Å; R284-Y297 PolarHBondContact N-O 3.01Å; R284-Y297 PolarHBondContact O-N 3.29Å; L286-Y297 HydrophobicContact CB-CD2 4.31Å; L286-Y297 HydrophobicContact CB-CE2 4.01Å; L286-Y297 HydrophobicContact CD1-CD2 3.95Å; L286-Y297 HydrophobicContact CD1-CE2 3.77Å; L286-Y297 HydrophobicContact CG-CD2 4.02Å; L286-Y297 HydrophobicContact CG-CE2 4.06Å; T295-Y297 HydrophobicContact CG2-CD2 4.21Å; T295-Y297 HydrophobicContact CG2-CE2 3.52Å; T295-Y297 WeakPolarHBondContact O-CD2 3.42Å; Y297-W315 HydrophobicContact CD1-CB 4.31Å; Y297-W315 HydrophobicContact CD1-CE3 4.37Å; Y297-W315 HydrophobicContact CD2-CE3 4.44Å; Y297-W315 AromaticContact CG-CE3 3.93Å; Y297-W315 HydrophobicContact CG-CE3 3.93Å; Y297-A316 CarbonylContact C-O 3.55Å; Y297-A316 WeakPolarHBondContact CA-O 3.38Å; Y297-K317 HydrophobicContact CD1-CB 4.08Å; Y297-K317 HydrophobicContact CE1-CB 3.81Å
298	A	97	Very high	88.1	Confident	0 Å²	0	70.5 Å²	70.5	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130.6	159.6	0	0	0	0	0	107.9	F217 A316 V318 I333	F217-A298 HydrophobicContact CD1-CB 3.49Å; F217-A298 VanDerWaalsContact CD1-CB 3.49Å; F217-A298 HydrophobicContact CE1-CB 3.28Å; F217-A298 HydrophobicContact CG-CB 4.22Å; F217-A298 HydrophobicContact CZ-CB 3.86Å; A298-A316 PolarHBondContact N-O 2.85Å; A298-A316 PolarHBondContact O-N 3.1Å; A298-V318 HydrophobicContact CB-CG2 4.14Å; A298-I333 HydrophobicContact CB-CG2 4.03Å
299	V	96.2	Very high	88	Confident	4 Å²	4	69.5 Å²	69.5	2%	0.024	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	121.9	-174.1	-173.2	0	0	0	0	109	L281 T282 R284 A313 V314 W315	L281-V299 CarbonylContact C-O 3.39Å; L281-V299 WeakPolarHBondContact CA-O 3.49Å; T282-V299 HydrophobicContact CG2-CB 3.88Å; T282-V299 HydrophobicContact CG2-CG1 4.48Å; T282-V299 PolarHBondContact N-O 3.31Å; T282-V299 PolarHBondContact O-N 3.39Å; R284-V299 HydrophobicContact CB-CG2 4.11Å; R284-V299 HydrophobicContact CG-CG2 3.88Å; V299-A313 HydrophobicContact CG1-CB 3.72Å; V299-V314 WeakPolarHBondContact CA-O 3.32Å; V299-W315 HydrophobicContact CG1-CD2 4.15Å; V299-W315 HydrophobicContact CG1-CG 4.3Å; V299-W315 HydrophobicContact CG1-CZ2 4.47Å; V299-W315 HydrophobicContact CG2-CD2 3.57Å; V299-W315 HydrophobicContact CG2-CE3 3.45Å; V299-W315 VanDerWaalsContact CG2-CE3 3.45Å; V299-W315 HydrophobicContact CG2-CG 4.14Å; V299-W315 HydrophobicContact CG2-CH2 4.24Å; V299-W315 HydrophobicContact CG2-CZ2 4.33Å; V299-W315 HydrophobicContact CG2-CZ3 3.82Å
300	S	95.6	Very high	88.2	Confident	4 Å²	4	66.5 Å²	66.5	3%	0.028	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	114.1	167.8	64.3	0	0	0	0	109.4	M280 A313 V314 G338	M280-S300 CarbonylContact O-C 3.25Å; M280-S300 WeakPolarHBondContact O-CA 3.22Å; S300-A313 CarbonylContact O-C 3.59Å; S300-A313 WeakPolarHBondContact O-CA 3.37Å; S300-V314 PolarHBondContact N-O 3.26Å; S300-V314 PolarHBondContact O-N 2.63Å; S300-V314 WeakPolarHBondContact OG-CB 3.42Å; S300-G338 PolarHBondContact OG-N 3.16Å
301	N	94	Very high	88.6	Confident	21 Å²	21	62.5 Å²	62.5	11%	0.112	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130.2	179.8	-168.1	-6.7	0	0	0	110.6	Y262 M280	Y262-N301 HydrophobicContact CE1-CB 4.03Å; M280-N301 PolarHBondContact N-O 3.38Å; M280-N301 PolarHBondContact O-N 3.15Å
302	L	91.3	Very high	88.9	Confident	6 Å²	6	58.1 Å²	58.1	3%	0.031	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	117.7	176.5	-171.9	79.7	0	0	0	110.3	R278 L279 E304 Y306 F309 R310 R311 G312	R278-L302 HydrophobicContact CB-CD1 4.45Å; R278-L302 VanDerWaalsContact O-CD1 3.24Å; R278-L302 WeakPolarHBondContact O-CD1 3.4Å; L279-L302 HydrophobicContact CB-CD1 4.14Å; L302-E304 WeakPolarHBondContact CD2-O 3.49Å; L302-E304 VanDerWaalsContact CG-O 3.25Å; L302-E304 WeakPolarHBondContact CG-O 3.45Å; L302-Y306 HydrophobicContact CD1-CD1 3.76Å; L302-Y306 HydrophobicContact CD1-CE1 3.31Å; L302-Y306 HydrophobicContact CD2-CD1 4.5Å; L302-F309 HydrophobicContact CD1-CB 4.41Å; L302-F309 HydrophobicContact CD2-CB 3.6Å; L302-R310 WeakPolarHBondContact CD2-O 3.3Å; L302-R311 WeakPolarHBondContact O-CG 3.26Å; L302-G312 PolarHBondContact N-O 3.43Å; L302-G312 PolarHBondContact O-N 2.8Å
303	V	82.2	Confident	89.3	Confident	77 Å²	77	55.9 Å²	55.9	47%	0.467	25%	0.249	S	C	.	.	S	Bend	trans	-76	-40	-179.8	179.3	0	0	0	0	112.1	R311	V303-R311 WeakPolarHBondContact O-CD 3.29Å; V303-R311 WeakPolarHBondContact O-CG 3.48Å; V303-R311 PolarHBondContact O-NE 2.79Å
304	E	82.1	Confident	89.6	Confident	134 Å²	134	48.1 Å²	48.1	63%	0.626	22%	0.222	S	C	*	.	S	Bend	trans	-131.8	136.2	-177.9	-171.8	178.5	-167.2	0	0	110.8	L302 Y306	L302-E304 WeakPolarHBondContact CD2-O 3.49Å; L302-E304 VanDerWaalsContact CG-O 3.25Å; L302-E304 WeakPolarHBondContact CG-O 3.45Å; E304-Y306 PolarHBondContact O-N 3.36Å
305	R	80.6	Confident	89.8	Confident	164 Å²	164	42 Å²	42	62%	0.619	20%	0.198	S	C	*	.			trans	-62.7	129	177	-171.8	-171.3	178.3	179.4	-4.3	110.2	F309	R305-F309 WeakPolarHBondContact CG-O 3.45Å
306	Y	83.5	Confident	90	Very high	28 Å²	28	41.1 Å²	41.1	11%	0.11	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-147.4	149.5	170.1	74.3	-93.6	0	0	0	110.5	N276 R278 L302 E304 T308 F309	N276-Y306 PolarHBondContact ND2-OH 2.83Å; R278-Y306 HydrophobicContact CB-CD1 3.97Å; R278-Y306 HydrophobicContact CB-CE1 3.52Å; R278-Y306 HydrophobicContact CG-CD1 4.49Å; R278-Y306 HydrophobicContact CG-CE1 4.41Å; L302-Y306 HydrophobicContact CD1-CD1 3.76Å; L302-Y306 HydrophobicContact CD1-CE1 3.31Å; L302-Y306 HydrophobicContact CD2-CD1 4.5Å; E304-Y306 PolarHBondContact O-N 3.36Å; Y306-T308 PolarHBondContact O-N 2.82Å; Y306-F309 HydrophobicContact CD2-CD2 4.1Å; Y306-F309 HydrophobicContact CE1-CB 4.45Å; Y306-F309 HydrophobicContact CE1-CD2 4.28Å; Y306-F309 AromaticContact CE2-CD2 3.39Å; Y306-F309 HydrophobicContact CE2-CD2 3.39Å; Y306-F309 AromaticContact CE2-CE2 3.86Å; Y306-F309 HydrophobicContact CE2-CE2 3.86Å; Y306-F309 HydrophobicContact CE2-CG 4.38Å; Y306-F309 AromaticContact CZ-CD2 3.48Å; Y306-F309 VanDerWaalsContact CZ-CD2 3.48Å; Y306-F309 AromaticContact CZ-CE2 4Å; Y306-F309 PolarHBondContact N-O 2.92Å; Y306-F309 WeakPolarHBondContact O-CB 3.43Å; Y306-F309 PolarHBondContact O-N 3.18Å; Y306-F309 WeakPolarHBondContact OH-CD2 3.22Å
307	E	79	Confident	90	Very high	140 Å²	140	44.3 Å²	44.3	65%	0.654	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	-122.7	-178.2	-65.8	171.6	-176.8	0	0	112.1
308	T	79.7	Confident	90.1	Very high	88 Å²	88	43.4 Å²	43.4	54%	0.54	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-13.3	177.2	54.1	0	0	0	0	112.8	Y306	Y306-T308 PolarHBondContact O-N 2.82Å
309	F	84.7	Confident	90	Very high	3 Å²	3	46.5 Å²	46.5	1%	0.013	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-78.3	132.5	-175.3	-62	-77.8	0	0	0	111.6	I237 T240 L279 L302 R305 Y306 G338	I237-F309 HydrophobicContact CG1-CE1 3.77Å; I237-F309 HydrophobicContact CG1-CZ 3.79Å; T240-F309 HydrophobicContact CG2-CE1 3.49Å; T240-F309 VanDerWaalsContact CG2-CE1 3.49Å; T240-F309 HydrophobicContact CG2-CZ 3.6Å; L279-F309 HydrophobicContact CD1-CD1 3.75Å; L279-F309 HydrophobicContact CD1-CE1 3.85Å; L279-F309 HydrophobicContact CD1-CG 4.35Å; L279-F309 HydrophobicContact CD1-CZ 4.47Å; L302-F309 HydrophobicContact CD1-CB 4.41Å; L302-F309 HydrophobicContact CD2-CB 3.6Å; R305-F309 WeakPolarHBondContact CG-O 3.45Å; Y306-F309 HydrophobicContact CD2-CD2 4.1Å; Y306-F309 HydrophobicContact CE1-CB 4.45Å; Y306-F309 HydrophobicContact CE1-CD2 4.28Å; Y306-F309 AromaticContact CE2-CD2 3.39Å; Y306-F309 HydrophobicContact CE2-CD2 3.39Å; Y306-F309 AromaticContact CE2-CE2 3.86Å; Y306-F309 HydrophobicContact CE2-CE2 3.86Å; Y306-F309 HydrophobicContact CE2-CG 4.38Å; Y306-F309 AromaticContact CZ-CD2 3.48Å; Y306-F309 VanDerWaalsContact CZ-CD2 3.48Å; Y306-F309 AromaticContact CZ-CE2 4Å; Y306-F309 PolarHBondContact N-O 2.92Å; Y306-F309 WeakPolarHBondContact O-CB 3.43Å; Y306-F309 PolarHBondContact O-N 3.18Å; Y306-F309 WeakPolarHBondContact OH-CD2 3.22Å; F309-G338 VanDerWaalsContact CD1-O 3.25Å; F309-G338 WeakPolarHBondContact CD1-O 3.43Å
310	R	86.4	Confident	89.9	Confident	84 Å²	84	47.2 Å²	47.2	32%	0.317	23%	0.227	S	C	.	.	P	Polyproline II helix	trans	-99.2	148.2	176.5	-68.8	-174.5	178.7	-105	1	111	L302 V340 I474	L302-R310 WeakPolarHBondContact CD2-O 3.3Å; R310-V340 HydrophobicContact CB-CB 4.38Å; R310-V340 HydrophobicContact CB-CG2 4.13Å; R310-I474 PolarHBondContact NH1-O 3.39Å
311	R	90.4	Very high	89.9	Confident	34 Å²	34	49.1 Å²	49.1	13%	0.128	24%	0.239	C	C	.	.	S	Bend	trans	-61.8	151.2	177.1	-168.5	176.4	-171.8	-157.1	1.8	111.7	L302 V303 T422 D424 Q425 S472	L302-R311 WeakPolarHBondContact O-CG 3.26Å; V303-R311 WeakPolarHBondContact O-CD 3.29Å; V303-R311 WeakPolarHBondContact O-CG 3.48Å; V303-R311 PolarHBondContact O-NE 2.79Å; R311-T422 HydrophobicContact CG-CG2 4.08Å; R311-T422 PolarHBondContact NE-OG1 3.39Å; R311-T422 PolarHBondContact NH1-OG1 2.77Å; R311-T422 PolarHBondContact NH2-OG1 3.06Å; R311-D424 IonicContact CZ-OD1 2.72Å; R311-D424 IonicContact CZ-OD2 3.67Å; R311-D424 IonicContact NH2-OD1 2.59Å; R311-D424 PolarHBondContact NH2-OD1 3.22Å; R311-D424 IonicContact NH2-OD2 2.7Å; R311-D424 PolarHBondContact NH2-OD2 3.33Å; R311-Q425 VanDerWaalsContact NH2-CD 3.3Å; R311-S472 WeakPolarHBondContact O-CB 3.47Å; R311-S472 PolarHBondContact O-OG 2.99Å
312	G	92.2	Very high	89.9	Confident	3 Å²	3	49 Å²	49	3%	0.031	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	102	-159.6	-179.6	0	0	0	0	0	111.5	L302	L302-G312 PolarHBondContact N-O 3.43Å; L302-G312 PolarHBondContact O-N 2.8Å
313	A	95	Very high	90.1	Very high	3 Å²	3	48.7 Å²	48.7	3%	0.025	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	133.9	-170.3	0	0	0	0	0	112	V299 S300 D470 S472	V299-A313 HydrophobicContact CG1-CB 3.72Å; S300-A313 CarbonylContact O-C 3.59Å; S300-A313 WeakPolarHBondContact O-CA 3.37Å; A313-D470 WeakPolarHBondContact CA-O 3.37Å; A313-D470 HydrophobicContact CB-CB 3.86Å; A313-D470 WeakPolarHBondContact CB-O 3.13Å; A313-D470 PolarHBondContact N-O 2.8Å; A313-S472 PolarHBondContact O-N 2.84Å
314	V	95.4	Very high	90.5	Very high	15 Å²	15	45.1 Å²	45.1	9%	0.091	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	117	166.6	-177.5	0	0	0	0	108	V299 S300 V340	V299-V314 WeakPolarHBondContact CA-O 3.32Å; S300-V314 PolarHBondContact N-O 3.26Å; S300-V314 PolarHBondContact O-N 2.63Å; S300-V314 WeakPolarHBondContact OG-CB 3.42Å; V314-V340 HydrophobicContact CG2-CG2 3.74Å
315	W	96.1	Very high	91	Very high	10 Å²	10	38.9 Å²	38.9	4%	0.038	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	114.2	-179.7	-69	72.8	0	0	0	110	R284 L286 Y297 V299 R335 Q468 E469	R284-W315 HydrophobicContact CB-CE3 4.42Å; R284-W315 HydrophobicContact CB-CH2 3.81Å; R284-W315 HydrophobicContact CB-CZ3 3.47Å; R284-W315 VanDerWaalsContact CB-CZ3 3.47Å; R284-W315 HydrophobicContact CG-CH2 3.75Å; R284-W315 HydrophobicContact CG-CZ3 3.9Å; L286-W315 HydrophobicContact CD1-CE3 4.2Å; L286-W315 HydrophobicContact CD1-CZ3 3.84Å; L286-W315 HydrophobicContact CD2-CH2 4.42Å; L286-W315 HydrophobicContact CD2-CZ3 4.15Å; L286-W315 HydrophobicContact CG-CZ3 4.04Å; Y297-W315 HydrophobicContact CD1-CB 4.31Å; Y297-W315 HydrophobicContact CD1-CE3 4.37Å; Y297-W315 HydrophobicContact CD2-CE3 4.44Å; Y297-W315 AromaticContact CG-CE3 3.93Å; Y297-W315 HydrophobicContact CG-CE3 3.93Å; V299-W315 HydrophobicContact CG1-CD2 4.15Å; V299-W315 HydrophobicContact CG1-CG 4.3Å; V299-W315 HydrophobicContact CG1-CZ2 4.47Å; V299-W315 HydrophobicContact CG2-CD2 3.57Å; V299-W315 HydrophobicContact CG2-CE3 3.45Å; V299-W315 VanDerWaalsContact CG2-CE3 3.45Å; V299-W315 HydrophobicContact CG2-CG 4.14Å; V299-W315 HydrophobicContact CG2-CH2 4.24Å; V299-W315 HydrophobicContact CG2-CZ2 4.33Å; V299-W315 HydrophobicContact CG2-CZ3 3.82Å; W315-R335 WeakPolarHBondContact O-CD 3.43Å; W315-Q468 HydrophobicContact CD2-CG 3.95Å; W315-Q468 VanDerWaalsContact CD2-NE2 3.26Å; W315-Q468 HydrophobicContact CE3-CG 4.16Å; W315-Q468 HydrophobicContact CH2-CG 3.98Å; W315-Q468 HydrophobicContact CZ2-CG 3.74Å; W315-Q468 HydrophobicContact CZ3-CG 4.17Å; W315-E469 HydrophobicContact CZ2-CG 4.37Å; W315-E469 PolarHBondContact NE1-O 2.82Å
316	A	96.7	Very high	91.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	123.3	177.8	0	0	0	0	0	110	Y297 A298 V318 I333 R335 L337	Y297-A316 CarbonylContact C-O 3.55Å; Y297-A316 WeakPolarHBondContact CA-O 3.38Å; A298-A316 PolarHBondContact N-O 2.85Å; A298-A316 PolarHBondContact O-N 3.1Å; A316-V318 PolarHBondContact O-N 3.29Å; A316-I333 HydrophobicContact CB-CB 3.98Å; A316-I333 HydrophobicContact CB-CD1 3.75Å; A316-I333 HydrophobicContact CB-CG1 4.34Å; A316-R335 HydrophobicContact CB-CB 3.77Å; A316-L337 HydrophobicContact CB-CD2 3.82Å
317	K	96.6	Very high	91.8	Very high	81 Å²	81	33.3 Å²	33.3	35%	0.352	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	131.6	176.5	177	175.1	176.9	174.2	0	108.7	T295 Y297 V319 I333 D334	T295-K317 HydrophobicContact CG2-CD 3.8Å; T295-K317 HydrophobicContact CG2-CG 3.66Å; Y297-K317 HydrophobicContact CD1-CB 4.08Å; Y297-K317 HydrophobicContact CE1-CB 3.81Å; K317-V319 PolarHBondContact O-N 3.4Å; K317-I333 VanDerWaalsContact O-CA 3.31Å; K317-I333 WeakPolarHBondContact O-CA 3.42Å; K317-D334 WeakPolarHBondContact CB-OD1 3.37Å; K317-D334 PolarHBondContact N-OD1 2.95Å; K317-D334 PolarHBondContact O-N 2.98Å
318	V	97	Very high	92.5	Very high	12 Å²	12	26.6 Å²	26.6	7%	0.073	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	111.2	173.3	179.7	0	0	0	0	107.9	M283 I296 A298 A316 P321 H331 I332 I333	M283-V318 HydrophobicContact CE-CG2 4.44Å; I296-V318 HydrophobicContact CB-CB 4.24Å; I296-V318 HydrophobicContact CB-CG2 4.42Å; I296-V318 HydrophobicContact CG2-CB 4.34Å; I296-V318 HydrophobicContact CG2-CG2 4.02Å; I296-V318 PolarHBondContact O-N 2.99Å; A298-V318 HydrophobicContact CB-CG2 4.14Å; A316-V318 PolarHBondContact O-N 3.29Å; V318-P321 HydrophobicContact CG1-CB 3.7Å; V318-P321 HydrophobicContact CG1-CG 4.42Å; V318-H331 HydrophobicContact CG1-CB 4.15Å; V318-I332 CarbonylContact C-O 3.52Å; V318-I333 HydrophobicContact CG2-CG2 4Å
319	V	95.5	Very high	93.2	Very high	66 Å²	66	22.4 Å²	22.4	40%	0.4	11%	0.111	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	-49.4	-178.3	-176.2	0	0	0	0	110.1	K317 I332 D334	K317-V319 PolarHBondContact O-N 3.4Å; V319-I332 HydrophobicContact CB-CG2 4.44Å; V319-I332 PolarHBondContact N-O 3.04Å; V319-D334 HydrophobicContact CG2-CB 3.75Å
320	V	94.6	Very high	93.7	Very high	19 Å²	19	22.3 Å²	22.3	12%	0.115	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	106.7	176	-169.3	0	0	0	0	108.9	R181 I323 H331 I332	R181-V320 HydrophobicContact CB-CG1 4.35Å; V320-I323 HydrophobicContact CB-CD1 4.35Å; V320-I323 HydrophobicContact CG1-CD1 3.93Å; V320-I323 HydrophobicContact CG1-CG1 4.22Å; V320-H331 CarbonylContact O-C 3.58Å; V320-H331 WeakPolarHBondContact O-CA 3.21Å; V320-I332 HydrophobicContact CB-CB 4.08Å; V320-I332 HydrophobicContact CB-CD1 4.13Å; V320-I332 HydrophobicContact CB-CG1 4.28Å; V320-I332 HydrophobicContact CG2-CB 4.46Å; V320-I332 HydrophobicContact CG2-CD1 4.27Å; V320-I332 PolarHBondContact N-O 3.08Å; V320-I332 PolarHBondContact O-N 2.98Å
321	P	95.2	Very high	94.3	Very high	43 Å²	43	18.3 Å²	18.3	28%	0.279	10%	0.096	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	165.9	177.2	33	-33.2	0	0	0	112.4	T251 V318 H331	T251-P321 HydrophobicContact CG2-CB 3.45Å; T251-P321 VanDerWaalsContact CG2-CB 3.45Å; T251-P321 HydrophobicContact CG2-CG 4.39Å; V318-P321 HydrophobicContact CG1-CB 3.7Å; V318-P321 HydrophobicContact CG1-CG 4.42Å; P321-H331 WeakPolarHBondContact CA-ND1 3.37Å
322	N	94.6	Very high	94.6	Very high	18 Å²	18	16.8 Å²	16.8	10%	0.096	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.8	48.9	160.6	-54.5	-42.1	0	0	0	115	N129 F250 T251 P324 H331	N129-N322 PolarHBondContact OD1-ND2 3.18Å; N129-N322 PolarHBondContact OD1-OD1 3.21Å; F250-N322 WeakPolarHBondContact CA-OD1 3.33Å; F250-N322 WeakPolarHBondContact CB-OD1 3.39Å; F250-N322 HydrophobicContact CD1-CB 3.83Å; F250-N322 HydrophobicContact CE1-CB 4.37Å; T251-N322 PolarHBondContact N-OD1 2.65Å; T251-N322 PolarHBondContact OG1-ND2 3.41Å; T251-N322 PolarHBondContact OG1-OD1 2.81Å; N322-P324 WeakPolarHBondContact O-CD 3.47Å; N322-H331 PolarHBondContact N-CE1 2.92Å; N322-H331 VanDerWaalsContact N-CE1 3.34Å; N322-H331 PolarHBondContact N-ND1 2.89Å; N322-H331 PolarHBondContact OD1-CE1 3.42Å
323	I	93.9	Very high	94.8	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	98.8	173.9	-56.3	165	0	0	0	108.9	L168 Y182 V320 V325 V330 I332	L168-I323 HydrophobicContact CD1-CG2 3.73Å; Y182-I323 HydrophobicContact CD1-CD1 3.65Å; Y182-I323 HydrophobicContact CD1-CG1 3.69Å; Y182-I323 HydrophobicContact CD1-CG2 4.22Å; Y182-I323 HydrophobicContact CD2-CD1 4.16Å; Y182-I323 HydrophobicContact CD2-CG2 4.48Å; Y182-I323 HydrophobicContact CE1-CB 4.49Å; Y182-I323 HydrophobicContact CE1-CD1 4.33Å; Y182-I323 HydrophobicContact CE1-CG1 4Å; Y182-I323 HydrophobicContact CE1-CG2 3.78Å; Y182-I323 HydrophobicContact CE2-CG2 4.08Å; Y182-I323 HydrophobicContact CG-CD1 3.56Å; Y182-I323 HydrophobicContact CG-CG1 4.14Å; V320-I323 HydrophobicContact CB-CD1 4.35Å; V320-I323 HydrophobicContact CG1-CD1 3.93Å; V320-I323 HydrophobicContact CG1-CG1 4.22Å; I323-V325 PolarHBondContact O-N 2.96Å; I323-V330 HydrophobicContact CB-CB 4.01Å; I323-V330 HydrophobicContact CB-CG1 4.26Å; I323-V330 WeakPolarHBondContact CB-O 3.37Å; I323-V330 HydrophobicContact CD1-CG1 4.11Å; I323-V330 HydrophobicContact CG2-CB 4.47Å; I323-V330 PolarHBondContact N-O 3.3Å; I323-V330 PolarHBondContact O-N 3.27Å; I323-I332 HydrophobicContact CD1-CD1 3.9Å; I323-I332 HydrophobicContact CD1-CG1 3.97Å
324	P	92.2	Very high	94.9	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.006	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	131.9	177.1	22.3	-28.7	0	0	0	111.4	N160 Y161 F250 N322	N160-P324 WeakPolarHBondContact OD1-CB 3.33Å; N160-P324 WeakPolarHBondContact OD1-CG 3.27Å; Y161-P324 WeakPolarHBondContact CB-O 3.33Å; Y161-P324 PolarHBondContact N-O 2.92Å; F250-P324 HydrophobicContact CE1-CB 4.41Å; F250-P324 HydrophobicContact CZ-CB 4.2Å; N322-P324 WeakPolarHBondContact O-CD 3.47Å
325	V	91.5	Very high	94.9	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.018	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	168.5	176	-64	0	0	0	0	109.2	Y112 Y161 A165 L168 F216 I323 N327 G328 V330	Y112-V325 PolarHBondContact OH-O 3.44Å; Y161-V325 HydrophobicContact CD1-CG1 4.11Å; A165-V325 HydrophobicContact CB-CG2 4.28Å; L168-V325 HydrophobicContact CD1-CG1 3.94Å; F216-V325 HydrophobicContact CE2-CG2 4.47Å; I323-V325 PolarHBondContact O-N 2.96Å; V325-N327 VanDerWaalsContact C-N 3.3Å; V325-N327 WeakPolarHBondContact CG2-OD1 3.39Å; V325-N327 PolarHBondContact O-N 3.44Å; V325-G328 WeakPolarHBondContact CG2-O 3.1Å; V325-G328 PolarHBondContact N-O 2.82Å; V325-G328 PolarHBondContact O-N 2.85Å; V325-V330 HydrophobicContact CG1-CB 4.43Å; V325-V330 HydrophobicContact CG1-CG2 3.83Å; V325-V330 HydrophobicContact CG2-CG2 4.1Å
326	Q	90.4	Very high	94.8	Very high	75 Å²	75	19.1 Å²	19.1	35%	0.35	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-42.5	179.3	-70.8	-167.3	-4.7	0	0	112.3	R110 Y112 P162 G163 T164 G328	R110-Q326 WeakPolarHBondContact CD-O 3.45Å; R110-Q326 VanDerWaalsContact CZ-O 3.24Å; R110-Q326 PolarHBondContact NE-O 3.31Å; R110-Q326 PolarHBondContact NH1-O 2.88Å; Y112-Q326 PolarHBondContact OH-O 2.99Å; P162-Q326 VanDerWaalsContact O-CD 3.27Å; P162-Q326 PolarHBondContact O-NE2 2.98Å; G163-Q326 PolarHBondContact O-N 2.84Å; T164-Q326 HydrophobicContact CG2-CB 4.36Å; Q326-G328 PolarHBondContact O-N 2.86Å
327	N	91.1	Very high	94.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	18.3	-176.4	61.7	-28.4	0	0	0	114.9	T164 A165 V204 Y205 G207 F213 H214 F216 V325	T164-N327 VanDerWaalsContact CA-OD1 3.3Å; T164-N327 WeakPolarHBondContact CA-OD1 3.36Å; T164-N327 WeakPolarHBondContact CB-OD1 3.42Å; A165-N327 PolarHBondContact N-OD1 3.19Å; V204-N327 PolarHBondContact O-ND2 3.36Å; Y205-N327 VanDerWaalsContact C-ND2 3.31Å; Y205-N327 PolarHBondContact O-ND2 2.82Å; G207-N327 WeakPolarHBondContact O-CB 3.3Å; F213-N327 WeakPolarHBondContact CA-O 3.13Å; H214-N327 PolarHBondContact N-O 2.94Å; H214-N327 VanDerWaalsContact N-O 3.08Å; F216-N327 WeakPolarHBondContact CZ-ND2 3.19Å; V325-N327 VanDerWaalsContact C-N 3.3Å; V325-N327 WeakPolarHBondContact CG2-OD1 3.39Å; V325-N327 PolarHBondContact O-N 3.44Å
328	G	92.9	Very high	94.5	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141.5	-133.7	174.2	0	0	0	0	0	113.5	Y112 H214 V325 Q326	Y112-G328 WeakPolarHBondContact OH-CA 3.49Å; Y112-G328 PolarHBondContact OH-N 3.4Å; Y112-G328 VanDerWaalsContact OH-N 3.09Å; H214-G328 VanDerWaalsContact O-CA 3.31Å; H214-G328 WeakPolarHBondContact O-CA 3.32Å; V325-G328 WeakPolarHBondContact CG2-O 3.1Å; V325-G328 PolarHBondContact N-O 2.82Å; V325-G328 PolarHBondContact O-N 2.85Å; Q326-G328 PolarHBondContact O-N 2.86Å
329	V	94.7	Very high	94.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.8	-177.6	67.3	0	0	0	0	110.9	H214 T215 F216 V248 L249 F250	H214-V329 PolarHBondContact O-N 3.19Å; H214-V329 VanDerWaalsContact O-N 3.15Å; T215-V329 WeakPolarHBondContact CA-O 3.33Å; T215-V329 HydrophobicContact CG2-CG1 3.78Å; F216-V329 PolarHBondContact N-O 2.7Å; V248-V329 HydrophobicContact CG1-CB 3.69Å; V248-V329 HydrophobicContact CG1-CG1 3.57Å; L249-V329 WeakPolarHBondContact O-CG1 3.31Å; F250-V329 HydrophobicContact CD1-CG2 3.77Å; F250-V329 HydrophobicContact CD2-CG2 4.46Å; F250-V329 HydrophobicContact CE1-CB 4.27Å; F250-V329 HydrophobicContact CE1-CG2 3.52Å; F250-V329 HydrophobicContact CE2-CB 4.14Å; F250-V329 HydrophobicContact CE2-CG2 4.23Å; F250-V329 HydrophobicContact CG-CG2 4.25Å; F250-V329 HydrophobicContact CZ-CB 3.99Å; F250-V329 HydrophobicContact CZ-CG2 3.76Å
330	V	96.1	Very high	94	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	136.6	179	162.9	0	0	0	0	109.5	A165 F216 L218 I323 V325 I332	A165-V330 HydrophobicContact CB-CG2 3.84Å; F216-V330 HydrophobicContact CB-CG2 3.97Å; F216-V330 HydrophobicContact CD2-CG2 4.19Å; F216-V330 HydrophobicContact CG-CG2 4.41Å; F216-V330 CarbonylContact O-C 3.49Å; F216-V330 WeakPolarHBondContact O-CA 3.35Å; L218-V330 HydrophobicContact CB-CG1 4.5Å; L218-V330 HydrophobicContact CD1-CB 4.36Å; L218-V330 HydrophobicContact CD1-CG1 3.38Å; L218-V330 HydrophobicContact CD1-CG2 4.02Å; L218-V330 HydrophobicContact CG-CG1 3.72Å; L218-V330 HydrophobicContact CG-CG2 4.43Å; I323-V330 HydrophobicContact CB-CB 4.01Å; I323-V330 HydrophobicContact CB-CG1 4.26Å; I323-V330 WeakPolarHBondContact CB-O 3.37Å; I323-V330 HydrophobicContact CD1-CG1 4.11Å; I323-V330 HydrophobicContact CG2-CB 4.47Å; I323-V330 PolarHBondContact N-O 3.3Å; I323-V330 PolarHBondContact O-N 3.27Å; V325-V330 HydrophobicContact CG1-CB 4.43Å; V325-V330 HydrophobicContact CG1-CG2 3.83Å; V325-V330 HydrophobicContact CG2-CG2 4.1Å; V330-I332 HydrophobicContact CG1-CG1 4.48Å
331	H	97.4	Very high	93.7	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.6	167.7	-57.6	-78.3	0	0	0	108.4	F216 F217 L218 L249 M283 V318 V320 P321 N322	F216-H331 PolarHBondContact O-N 3.48Å; F217-H331 CarbonylContact C-O 3.57Å; F217-H331 WeakPolarHBondContact CA-O 3.49Å; F217-H331 HydrophobicContact CD1-CB 3.93Å; F217-H331 HydrophobicContact CE1-CB 4.12Å; L218-H331 PolarHBondContact N-O 2.83Å; L249-H331 PolarHBondContact O-NE2 3.27Å; M283-H331 HydrophobicContact CE-CB 4.34Å; M283-H331 VanDerWaalsContact CE-CD2 3.45Å; M283-H331 WeakPolarHBondContact CE-CD2 3.34Å; M283-H331 WeakPolarHBondContact CE-NE2 3.23Å; V318-H331 HydrophobicContact CG1-CB 4.15Å; V320-H331 CarbonylContact O-C 3.58Å; V320-H331 WeakPolarHBondContact O-CA 3.21Å; P321-H331 WeakPolarHBondContact CA-ND1 3.37Å; N322-H331 PolarHBondContact N-CE1 2.92Å; N322-H331 VanDerWaalsContact N-CE1 3.34Å; N322-H331 PolarHBondContact N-ND1 2.89Å; N322-H331 PolarHBondContact OD1-CE1 3.42Å
332	I	97.3	Very high	93.5	Very high	3 Å²	3	12.7 Å²	12.7	2%	0.015	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	130.2	176.4	-58.6	179.5	0	0	0	108.8	L187 L218 N220 V318 V319 V320 I323 V330	L187-I332 HydrophobicContact CD2-CG2 4.44Å; L218-I332 WeakPolarHBondContact O-CA 3.38Å; N220-I332 HydrophobicContact CB-CG2 3.92Å; V318-I332 CarbonylContact C-O 3.52Å; V319-I332 HydrophobicContact CB-CG2 4.44Å; V319-I332 PolarHBondContact N-O 3.04Å; V320-I332 HydrophobicContact CB-CB 4.08Å; V320-I332 HydrophobicContact CB-CD1 4.13Å; V320-I332 HydrophobicContact CB-CG1 4.28Å; V320-I332 HydrophobicContact CG2-CB 4.46Å; V320-I332 HydrophobicContact CG2-CD1 4.27Å; V320-I332 PolarHBondContact N-O 3.08Å; V320-I332 PolarHBondContact O-N 2.98Å; I323-I332 HydrophobicContact CD1-CD1 3.9Å; I323-I332 HydrophobicContact CD1-CG1 3.97Å; V330-I332 HydrophobicContact CG1-CG1 4.48Å
333	I	97.6	Very high	93.4	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	157.4	-175.2	62.8	167	0	0	0	112.7	F217 L218 P219 N220 A298 A316 K317 V318 R335 L337	F217-I333 HydrophobicContact CB-CD1 3.81Å; F217-I333 HydrophobicContact CB-CG1 4.36Å; F217-I333 HydrophobicContact CB-CG2 4.45Å; F217-I333 HydrophobicContact CD1-CG2 3.87Å; L218-I333 PolarHBondContact O-N 3.22Å; P219-I333 WeakPolarHBondContact CA-O 3.42Å; P219-I333 HydrophobicContact CB-CG1 4.39Å; N220-I333 PolarHBondContact N-O 3.03Å; N220-I333 PolarHBondContact OD1-O 2.7Å; A298-I333 HydrophobicContact CB-CG2 4.03Å; A316-I333 HydrophobicContact CB-CB 3.98Å; A316-I333 HydrophobicContact CB-CD1 3.75Å; A316-I333 HydrophobicContact CB-CG1 4.34Å; K317-I333 VanDerWaalsContact O-CA 3.31Å; K317-I333 WeakPolarHBondContact O-CA 3.42Å; V318-I333 HydrophobicContact CG2-CG2 4Å; I333-R335 WeakPolarHBondContact CD1-O 3.34Å; I333-L337 HydrophobicContact CD1-CD1 3.91Å; I333-L337 HydrophobicContact CD1-CD2 4.23Å; I333-L337 HydrophobicContact CD1-CG 3.67Å
334	D	95.7	Very high	93.5	Very high	22 Å²	22	12.6 Å²	12.6	12%	0.118	7%	0.067	C	C	.	.	S	Bend	trans	-102.6	8.6	-172.6	88.3	-31.3	0	0	0	115.4	A223 K226 K317 V319	A223-D334 VanDerWaalsContact CA-O 3.27Å; A223-D334 WeakPolarHBondContact CA-O 3.42Å; K226-D334 VanDerWaalsContact NZ-CG 3.29Å; K226-D334 PolarHBondContact NZ-O 3.09Å; K226-D334 IonicContact NZ-OD1 2.81Å; K226-D334 IonicContact NZ-OD2 2.8Å; K226-D334 PolarHBondContact NZ-OD2 2.96Å; K317-D334 WeakPolarHBondContact CB-OD1 3.37Å; K317-D334 PolarHBondContact N-OD1 2.95Å; K317-D334 PolarHBondContact O-N 2.98Å; V319-D334 HydrophobicContact CG2-CB 3.75Å
335	R	95.3	Very high	93.6	Very high	53 Å²	53	13.5 Å²	13.5	20%	0.2	7%	0.072	C	C	.	.	S	Bend	trans	-143.8	155	172.8	-67.6	-167.7	178.3	-160.4	-10.7	110.2	K226 W315 A316 I333 E350	K226-R335 HydrophobicContact CD-CG 3.92Å; W315-R335 WeakPolarHBondContact O-CD 3.43Å; A316-R335 HydrophobicContact CB-CB 3.77Å; I333-R335 WeakPolarHBondContact CD1-O 3.34Å; R335-E350 IonicContact NH2-OE2 2.81Å; R335-E350 PolarHBondContact NH2-OE2 3.3Å; R335-E350 VanDerWaalsContact NH2-OE2 3.1Å
336	V	95.3	Very high	93.6	Very high	5 Å²	5	17.3 Å²	17.3	3%	0.03	9%	0.089	C	C	.	.			trans	-85.5	121.5	176.6	-179.2	0	0	0	0	109	P219 A223 F224 L227 V233 I237 H241 V339	P219-V336 HydrophobicContact CB-CG2 3.98Å; P219-V336 HydrophobicContact CG-CG2 4.41Å; A223-V336 HydrophobicContact CB-CG2 4.16Å; F224-V336 HydrophobicContact CD1-CG2 4.15Å; F224-V336 HydrophobicContact CE1-CG2 4.18Å; F224-V336 HydrophobicContact CG-CG2 4.48Å; L227-V336 HydrophobicContact CD1-CB 4.49Å; L227-V336 HydrophobicContact CD1-CG2 3.96Å; L227-V336 HydrophobicContact CD2-CB 4.25Å; L227-V336 HydrophobicContact CD2-CG2 4.38Å; L227-V336 HydrophobicContact CG-CG2 4.27Å; V233-V336 HydrophobicContact CG2-CG1 4.11Å; I237-V336 HydrophobicContact CG2-CG1 3.81Å; H241-V336 VanDerWaalsContact CE1-CG1 3.49Å; H241-V336 WeakPolarHBondContact CE1-CG1 3.44Å; V336-V339 HydrophobicContact CG1-CB 4.36Å; V336-V339 HydrophobicContact CG1-CG2 3.92Å
337	L	95.2	Very high	93.8	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	145	-179	-64.7	177.5	0	0	0	111.7	F217 T240 H241 L281 A316 I333 V339	F217-L337 HydrophobicContact CB-CD1 3.84Å; F217-L337 HydrophobicContact CD2-CD1 3.98Å; F217-L337 HydrophobicContact CG-CD1 3.96Å; T240-L337 PolarHBondContact OG1-O 2.89Å; T240-L337 VanDerWaalsContact OG1-O 3.06Å; H241-L337 PolarHBondContact CE1-N 2.8Å; H241-L337 PolarHBondContact CE1-O 2.74Å; H241-L337 PolarHBondContact NE2-N 3.33Å; L281-L337 HydrophobicContact CD2-CD1 4.08Å; A316-L337 HydrophobicContact CB-CD2 3.82Å; I333-L337 HydrophobicContact CD1-CD1 3.91Å; I333-L337 HydrophobicContact CD1-CD2 4.23Å; I333-L337 HydrophobicContact CD1-CG 3.67Å; L337-V339 PolarHBondContact O-N 3.28Å
338	G	91.6	Very high	94	Very high	9 Å²	9	14.1 Å²	14.1	9%	0.093	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.7	-10.6	-179.2	0	0	0	0	0	115.6	S300 F309	S300-G338 PolarHBondContact OG-N 3.16Å; F309-G338 VanDerWaalsContact CD1-O 3.25Å; F309-G338 WeakPolarHBondContact CD1-O 3.43Å
339	V	91.2	Very high	94.1	Very high	20 Å²	20	18.1 Å²	18.1	12%	0.121	10%	0.095	C	C	.	.			trans	-102.4	130.4	178.1	-174.8	0	0	0	0	110.8	L227 A232 I237 V336 L337	L227-V339 HydrophobicContact CD2-CB 4.14Å; L227-V339 HydrophobicContact CD2-CG1 3.68Å; A232-V339 HydrophobicContact CB-CG1 4.43Å; I237-V339 HydrophobicContact CB-CG2 4.31Å; I237-V339 HydrophobicContact CD1-CG2 3.48Å; I237-V339 VanDerWaalsContact CD1-CG2 3.48Å; I237-V339 HydrophobicContact CG1-CG2 3.82Å; I237-V339 HydrophobicContact CG2-CG2 3.51Å; V336-V339 HydrophobicContact CG1-CB 4.36Å; V336-V339 HydrophobicContact CG1-CG2 3.92Å; L337-V339 PolarHBondContact O-N 3.28Å
340	V	90.5	Very high	94	Very high	24 Å²	24	22.4 Å²	22.4	15%	0.145	12%	0.115	C	C	.	.			trans	-117.1	98.9	178.7	178.9	0	0	0	0	108.9	R310 V314 S472	R310-V340 HydrophobicContact CB-CB 4.38Å; R310-V340 HydrophobicContact CB-CG2 4.13Å; V314-V340 HydrophobicContact CG2-CG2 3.74Å; V340-S472 WeakPolarHBondContact CG2-OG 3.37Å
341	S	87.8	Confident	93.8	Very high	18 Å²	18	23.6 Å²	23.6	13%	0.126	12%	0.121	C	C	.	.			trans	-104.2	-19	-176.7	48.6	0	0	0	0	114.8	K226 I474	K226-S341 PolarHBondContact O-OG 3.41Å; S341-I474 VanDerWaalsContact C-CD1 3.47Å; S341-I474 WeakPolarHBondContact O-CD1 2.78Å
342	N	91.2	Very high	93.6	Very high	14 Å²	14	29.7 Å²	29.7	8%	0.075	15%	0.154	C	C	.	.			trans	-104.1	145.3	-167.4	-62.2	36.8	0	0	0	110.3	K226 Q346 L347 E350 A473 I474	K226-N342 PolarHBondContact O-OD1 2.81Å; N342-Q346 HydrophobicContact CB-CB 4.18Å; N342-L347 HydrophobicContact CB-CD2 3.75Å; N342-L347 HydrophobicContact CB-CG 3.74Å; N342-E350 PolarHBondContact ND2-OE1 3.18Å; N342-E350 VanDerWaalsContact ND2-OE1 3.08Å; N342-E350 PolarHBondContact ND2-OE2 3.16Å; N342-A473 WeakPolarHBondContact O-CA 3.44Å; N342-I474 PolarHBondContact O-N 2.75Å
343	T	93	Very high	93.4	Very high	17 Å²	17	31.2 Å²	31.2	10%	0.104	16%	0.16	C	C	.	.			trans	-77	166.9	168.8	63.8	0	0	0	0	110.9	D345 Q346 L347 A374 N475	T343-D345 VanDerWaalsContact C-N 3.29Å; T343-D345 PolarHBondContact O-N 2.76Å; T343-Q346 PolarHBondContact O-N 3.36Å; T343-Q346 WeakPolarHBondContact OG1-CG 3.35Å; T343-Q346 PolarHBondContact OG1-N 3.33Å; T343-L347 WeakPolarHBondContact O-CG 3.5Å; T343-L347 PolarHBondContact O-N 3.06Å; T343-A374 HydrophobicContact CG2-CB 4.09Å; T343-N475 WeakPolarHBondContact CA-OD1 3.35Å; T343-N475 WeakPolarHBondContact CB-OD1 3.35Å
344	I	94.9	Very high	93.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-56.2	-45.8	173.4	-66.6	174.1	0	0	0	110.6	Q346 L347 L348 F372 V379 F381 A473 N475 I478	I344-Q346 PolarHBondContact O-N 3.04Å; I344-L347 PolarHBondContact O-N 2.85Å; I344-L348 HydrophobicContact CG2-CD1 3.81Å; I344-L348 HydrophobicContact CG2-CG 4.24Å; I344-L348 VanDerWaalsContact O-CG 3.26Å; I344-L348 WeakPolarHBondContact O-CG 3.42Å; I344-L348 PolarHBondContact O-N 3.38Å; I344-F372 HydrophobicContact CB-CB 4.16Å; I344-F372 HydrophobicContact CB-CD1 4.33Å; I344-F372 HydrophobicContact CG2-CB 4Å; I344-F372 HydrophobicContact CG2-CD1 3.61Å; I344-F372 HydrophobicContact CG2-CE1 4.29Å; I344-F372 HydrophobicContact CG2-CG 3.86Å; I344-V379 HydrophobicContact CD1-CG2 3.36Å; I344-F381 HydrophobicContact CG2-CD1 4.14Å; I344-A473 HydrophobicContact CG1-CB 3.54Å; I344-N475 PolarHBondContact N-OD1 2.92Å; I344-I478 HydrophobicContact CB-CD1 4.24Å; I344-I478 HydrophobicContact CB-CG1 4.38Å; I344-I478 HydrophobicContact CD1-CG1 4.5Å; I344-I478 HydrophobicContact CG1-CD1 4.24Å; I344-I478 HydrophobicContact CG1-CG1 3.95Å; I344-I478 HydrophobicContact CG2-CD1 3.84Å; I344-I478 HydrophobicContact CG2-CG1 3.94Å
345	D	94.1	Very high	93.3	Very high	21 Å²	21	33.6 Å²	33.6	11%	0.112	18%	0.176	C	C	.	.	H	α-helix	trans	-57.6	-46	178.6	-167.9	73.7	0	0	0	112.1	T343 L348 I349 R369 F372	T343-D345 VanDerWaalsContact C-N 3.29Å; T343-D345 PolarHBondContact O-N 2.76Å; D345-L348 PolarHBondContact O-N 3.23Å; D345-I349 WeakPolarHBondContact O-CD1 3.43Å; D345-I349 VanDerWaalsContact O-CG1 3.23Å; D345-I349 WeakPolarHBondContact O-CG1 3.43Å; D345-I349 PolarHBondContact O-N 3.46Å; D345-I349 WeakPolarHBondContact OD2-CD1 3.46Å; D345-R369 WeakPolarHBondContact OD1-CG 3.21Å; D345-R369 IonicContact OD1-CZ 3.7Å; D345-R369 IonicContact OD1-NE 3.68Å; D345-R369 PolarHBondContact OD1-NE 2.77Å; D345-R369 IonicContact OD1-NH2 3.77Å; D345-R369 PolarHBondContact OD1-NH2 3.44Å; D345-R369 IonicContact OD2-CZ 3.5Å; D345-R369 IonicContact OD2-NE 2.63Å; D345-R369 PolarHBondContact OD2-NE 3.01Å; D345-R369 IonicContact OD2-NH2 3.72Å; D345-R369 PolarHBondContact OD2-NH2 2.97Å; D345-F372 HydrophobicContact CB-CB 4.02Å; D345-F372 PolarHBondContact N-O 3.06Å
346	Q	92.9	Very high	93.3	Very high	83 Å²	83	32.9 Å²	32.9	39%	0.388	18%	0.177	S	C	.	.	H	α-helix	trans	-65	-42.8	178.5	-71.8	169.4	-19.4	0	0	112.2	N342 T343 I344 L348 I349 E350	N342-Q346 HydrophobicContact CB-CB 4.18Å; T343-Q346 PolarHBondContact O-N 3.36Å; T343-Q346 WeakPolarHBondContact OG1-CG 3.35Å; T343-Q346 PolarHBondContact OG1-N 3.33Å; I344-Q346 PolarHBondContact O-N 3.04Å; Q346-L348 VanDerWaalsContact C-N 3.32Å; Q346-L348 PolarHBondContact O-N 3.3Å; Q346-I349 PolarHBondContact O-N 3.29Å; Q346-E350 WeakPolarHBondContact O-CB 3.06Å; Q346-E350 WeakPolarHBondContact O-CG 3.02Å; Q346-E350 PolarHBondContact O-N 2.97Å
347	L	94.3	Very high	93.4	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.031	18%	0.176	C	C	.	.	H	α-helix	trans	-63.5	-38.3	178.2	-72.8	174.8	0	0	0	112.3	N342 T343 I344 N351 V471 A473 I478	N342-L347 HydrophobicContact CB-CD2 3.75Å; N342-L347 HydrophobicContact CB-CG 3.74Å; T343-L347 WeakPolarHBondContact O-CG 3.5Å; T343-L347 PolarHBondContact O-N 3.06Å; I344-L347 PolarHBondContact O-N 2.85Å; L347-N351 VanDerWaalsContact O-CB 3.22Å; L347-N351 WeakPolarHBondContact O-CB 3.49Å; L347-N351 PolarHBondContact O-N 3.42Å; L347-V471 HydrophobicContact CD1-CG1 4.24Å; L347-A473 HydrophobicContact CD1-CB 3.72Å; L347-I478 HydrophobicContact CB-CD1 3.83Å; L347-I478 HydrophobicContact CD1-CD1 4Å
348	L	95.8	Very high	93.4	Very high	1 Å²	1	33 Å²	33	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-69.4	-38	176.9	-66	172	0	0	0	112	I344 D345 Q346 N351 L357 M358 I361 F372 F381 A383 I478 Y480	I344-L348 HydrophobicContact CG2-CD1 3.81Å; I344-L348 HydrophobicContact CG2-CG 4.24Å; I344-L348 VanDerWaalsContact O-CG 3.26Å; I344-L348 WeakPolarHBondContact O-CG 3.42Å; I344-L348 PolarHBondContact O-N 3.38Å; D345-L348 PolarHBondContact O-N 3.23Å; Q346-L348 VanDerWaalsContact C-N 3.32Å; Q346-L348 PolarHBondContact O-N 3.3Å; L348-N351 PolarHBondContact O-N 3.28Å; L348-L357 HydrophobicContact CD2-CD2 4.28Å; L348-M358 HydrophobicContact CB-CG 4.28Å; L348-M358 HydrophobicContact CB-SD 3.53Å; L348-M358 VanDerWaalsContact CB-SD 3.53Å; L348-M358 HydrophobicContact CD1-SD 4.2Å; L348-M358 HydrophobicContact CG-SD 4.5Å; L348-I361 HydrophobicContact CD1-CD1 4.35Å; L348-F372 HydrophobicContact CD1-CD2 4.32Å; L348-F372 HydrophobicContact CD1-CE2 4.46Å; L348-F381 HydrophobicContact CD1-CD1 3.98Å; L348-F381 HydrophobicContact CD1-CE1 3.59Å; L348-F381 HydrophobicContact CD2-CD1 4.31Å; L348-F381 HydrophobicContact CD2-CE1 4Å; L348-F381 HydrophobicContact CG-CE1 4.43Å; L348-A383 HydrophobicContact CD2-CB 3.9Å; L348-I478 HydrophobicContact CD2-CD1 4.24Å; L348-I478 HydrophobicContact CG-CD1 4.3Å; L348-Y480 HydrophobicContact CD2-CE1 3.99Å
349	I	94.6	Very high	93.5	Very high	85 Å²	85	36.8 Å²	36.8	44%	0.436	20%	0.198	S	C	.	.	H	α-helix	trans	-67.1	-41.6	177.4	-69.2	164.1	0	0	0	111.5	D345 Q346 N351 M358	D345-I349 WeakPolarHBondContact O-CD1 3.43Å; D345-I349 VanDerWaalsContact O-CG1 3.23Å; D345-I349 WeakPolarHBondContact O-CG1 3.43Å; D345-I349 PolarHBondContact O-N 3.46Å; D345-I349 WeakPolarHBondContact OD2-CD1 3.46Å; Q346-I349 PolarHBondContact O-N 3.29Å; I349-N351 VanDerWaalsContact C-N 3.25Å; I349-N351 PolarHBondContact O-N 2.96Å; I349-M358 HydrophobicContact CD1-CE 4.33Å; I349-M358 HydrophobicContact CG1-CE 3.66Å; I349-M358 HydrophobicContact CG1-SD 4.47Å
350	E	92	Very high	93.7	Very high	89 Å²	89	36.1 Å²	36.1	42%	0.416	19%	0.194	S	C	.	.	H	α-helix	trans	-73.5	-16	179	-73.5	177.9	-168.7	0	0	113.6	R335 N342 Q346	R335-E350 IonicContact NH2-OE2 2.81Å; R335-E350 PolarHBondContact NH2-OE2 3.3Å; R335-E350 VanDerWaalsContact NH2-OE2 3.1Å; N342-E350 PolarHBondContact ND2-OE1 3.18Å; N342-E350 VanDerWaalsContact ND2-OE1 3.08Å; N342-E350 PolarHBondContact ND2-OE2 3.16Å; Q346-E350 WeakPolarHBondContact O-CB 3.06Å; Q346-E350 WeakPolarHBondContact O-CG 3.02Å; Q346-E350 PolarHBondContact O-N 2.97Å
351	N	93	Very high	93.8	Very high	25 Å²	25	35 Å²	35	13%	0.134	19%	0.187	C	C	.	.			trans	-92.4	113.4	-173.1	-172.8	7.6	0	0	0	112.1	L347 L348 I349 Y353 S354 Y480	L347-N351 VanDerWaalsContact O-CB 3.22Å; L347-N351 WeakPolarHBondContact O-CB 3.49Å; L347-N351 PolarHBondContact O-N 3.42Å; L348-N351 PolarHBondContact O-N 3.28Å; I349-N351 VanDerWaalsContact C-N 3.25Å; I349-N351 PolarHBondContact O-N 2.96Å; N351-Y353 PolarHBondContact O-N 3.37Å; N351-Y353 VanDerWaalsContact O-N 3.08Å; N351-Y353 WeakPolarHBondContact OD1-CD2 3.27Å; N351-Y353 PolarHBondContact OD1-N 2.9Å; N351-Y353 VanDerWaalsContact OD1-N 3.14Å; N351-S354 PolarHBondContact ND2-OG 3.11Å; N351-S354 PolarHBondContact O-N 2.98Å; N351-Y480 WeakPolarHBondContact ND2-CE1 3.49Å; N351-Y480 PolarHBondContact ND2-OH 3.35Å
352	D	92.4	Very high	94.1	Very high	129 Å²	129	39.6 Å²	39.6	69%	0.69	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-55.8	-28.1	177.2	-62.9	-34.5	0	0	0	113.1	S354 T355 N386	D352-S354 VanDerWaalsContact C-N 3.29Å; D352-S354 PolarHBondContact O-N 3.3Å; D352-T355 WeakPolarHBondContact O-CG2 3.01Å; D352-N386 PolarHBondContact O-ND2 2.95Å
353	Y	93.4	Very high	94.1	Very high	35 Å²	35	41.5 Å²	41.5	14%	0.137	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-78.9	-6.2	178.9	-57	-70.2	0	0	0	114.1	D288 N351 I385 N386 W467	D288-Y353 HydrophobicContact CB-CE1 4.38Å; N351-Y353 PolarHBondContact O-N 3.37Å; N351-Y353 VanDerWaalsContact O-N 3.08Å; N351-Y353 WeakPolarHBondContact OD1-CD2 3.27Å; N351-Y353 PolarHBondContact OD1-N 2.9Å; N351-Y353 VanDerWaalsContact OD1-N 3.14Å; Y353-I385 CarbonylContact O-C 3.4Å; Y353-I385 VanDerWaalsContact O-CA 3.28Å; Y353-I385 WeakPolarHBondContact O-CA 3.42Å; Y353-N386 VanDerWaalsContact O-CG 3.28Å; Y353-N386 PolarHBondContact O-N 3.17Å; Y353-N386 PolarHBondContact O-OD1 3.12Å; Y353-W467 HydrophobicContact CD1-CH2 4.28Å; Y353-W467 AromaticContact CD2-CH2 3.61Å; Y353-W467 HydrophobicContact CD2-CH2 3.61Å; Y353-W467 HydrophobicContact CD2-CZ3 4.01Å; Y353-W467 HydrophobicContact CE1-CH2 4.25Å; Y353-W467 HydrophobicContact CE1-CZ2 4.48Å; Y353-W467 AromaticContact CE2-CH2 3.59Å; Y353-W467 HydrophobicContact CE2-CH2 3.59Å; Y353-W467 HydrophobicContact CE2-CZ2 4.44Å; Y353-W467 HydrophobicContact CE2-CZ3 4.41Å; Y353-W467 AromaticContact CG-CH2 3.98Å; Y353-W467 HydrophobicContact CG-CH2 3.98Å; Y353-W467 HydrophobicContact CG-CZ3 4.3Å; Y353-W467 AromaticContact CZ-CH2 3.92Å
354	S	95.5	Very high	93.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-114.9	9.1	-175.9	-62	0	0	0	0	114.1	N351 D352 T356 L357 M358 Y480	N351-S354 PolarHBondContact ND2-OG 3.11Å; N351-S354 PolarHBondContact O-N 2.98Å; D352-S354 VanDerWaalsContact C-N 3.29Å; D352-S354 PolarHBondContact O-N 3.3Å; S354-T356 VanDerWaalsContact C-N 3.34Å; S354-T356 PolarHBondContact O-N 2.81Å; S354-L357 WeakPolarHBondContact O-CB 3.36Å; S354-L357 PolarHBondContact O-N 2.84Å; S354-M358 WeakPolarHBondContact O-CG 3.46Å; S354-M358 PolarHBondContact O-N 3.13Å; S354-Y480 WeakPolarHBondContact OG-CE1 3.13Å
355	T	95.6	Very high	93.6	Very high	72 Å²	72	43 Å²	43	44%	0.442	23%	0.227	S	C	.	.	H	α-helix	trans	-58.1	-44.1	-176.4	52.8	0	0	0	0	112.6	D352 M358 T359 N386	D352-T355 WeakPolarHBondContact O-CG2 3.01Å; T355-M358 PolarHBondContact O-N 3.21Å; T355-T359 PolarHBondContact O-N 3.05Å; T355-T359 VanDerWaalsContact O-N 3.16Å; T355-T359 PolarHBondContact O-OG1 3.33Å; T355-N386 PolarHBondContact N-OD1 2.84Å; T355-N386 PolarHBondContact OG1-ND2 3.38Å; T355-N386 PolarHBondContact OG1-OD1 2.04Å
356	T	95.2	Very high	93.4	Very high	37 Å²	37	48 Å²	48	23%	0.227	25%	0.254	C	S	.	.	H	α-helix	trans	-64.8	-46.6	178.5	-51.3	0	0	0	0	111	S354 M358 T359 Y360 N386 F389	S354-T356 VanDerWaalsContact C-N 3.34Å; S354-T356 PolarHBondContact O-N 2.81Å; T356-M358 VanDerWaalsContact C-N 3.27Å; T356-M358 PolarHBondContact O-N 3.04Å; T356-T359 WeakPolarHBondContact O-CB 3.48Å; T356-T359 PolarHBondContact O-N 2.81Å; T356-T359 VanDerWaalsContact O-N 3.09Å; T356-Y360 HydrophobicContact CG2-CD2 4.05Å; T356-Y360 HydrophobicContact CG2-CE2 3.73Å; T356-Y360 VanDerWaalsContact O-CD2 3.24Å; T356-Y360 WeakPolarHBondContact O-CD2 3.45Å; T356-Y360 PolarHBondContact O-N 3.41Å; T356-N386 VanDerWaalsContact CB-OD1 3.27Å; T356-N386 WeakPolarHBondContact CB-OD1 3.44Å; T356-N386 PolarHBondContact N-OD1 2.64Å; T356-N386 PolarHBondContact OG1-OD1 3.32Å; T356-F389 HydrophobicContact CG2-CB 3.72Å; T356-F389 HydrophobicContact CG2-CD1 4.08Å; T356-F389 HydrophobicContact CG2-CD2 3.67Å; T356-F389 HydrophobicContact CG2-CE2 4.3Å; T356-F389 HydrophobicContact CG2-CG 3.55Å
357	L	96.4	Very high	93.2	Very high	1 Å²	1	47 Å²	47	1%	0.005	25%	0.254	C	S	.	.	H	α-helix	trans	-56.2	-42.8	175.8	175.4	59.2	0	0	0	111.6	L348 S354 T359 Y360 I361 F381 A383 F389 L411	L348-L357 HydrophobicContact CD2-CD2 4.28Å; S354-L357 WeakPolarHBondContact O-CB 3.36Å; S354-L357 PolarHBondContact O-N 2.84Å; L357-T359 VanDerWaalsContact C-N 3.33Å; L357-T359 PolarHBondContact O-N 2.59Å; L357-Y360 PolarHBondContact O-N 2.78Å; L357-I361 HydrophobicContact CD1-CD1 4.03Å; L357-I361 HydrophobicContact CD1-CG1 4.26Å; L357-I361 HydrophobicContact CD2-CD1 4.49Å; L357-I361 HydrophobicContact CG-CD1 3.81Å; L357-I361 HydrophobicContact CG-CG1 4.47Å; L357-I361 WeakPolarHBondContact O-CG1 3.29Å; L357-I361 PolarHBondContact O-N 3.41Å; L357-F381 HydrophobicContact CD1-CZ 4.33Å; L357-F381 HydrophobicContact CD2-CE1 3.78Å; L357-F381 HydrophobicContact CD2-CZ 3.84Å; L357-A383 HydrophobicContact CD2-CB 3.69Å; L357-F389 HydrophobicContact CB-CE2 3.87Å; L357-F389 HydrophobicContact CB-CZ 4.13Å; L357-F389 HydrophobicContact CD1-CE2 4.5Å; L357-F389 HydrophobicContact CD1-CZ 4.03Å; L357-L411 HydrophobicContact CD1-CD2 4.03Å
358	M	95.6	Very high	92.9	Very high	8 Å²	8	46.8 Å²	46.8	4%	0.039	25%	0.253	C	S	.	.	H	α-helix	trans	-62.2	-39.6	177.3	-72.1	-55.1	-59	0	0	112	L348 I349 S354 T355 T356 Y360 I361 Y362	L348-M358 HydrophobicContact CB-CG 4.28Å; L348-M358 HydrophobicContact CB-SD 3.53Å; L348-M358 VanDerWaalsContact CB-SD 3.53Å; L348-M358 HydrophobicContact CD1-SD 4.2Å; L348-M358 HydrophobicContact CG-SD 4.5Å; I349-M358 HydrophobicContact CD1-CE 4.33Å; I349-M358 HydrophobicContact CG1-CE 3.66Å; I349-M358 HydrophobicContact CG1-SD 4.47Å; S354-M358 WeakPolarHBondContact O-CG 3.46Å; S354-M358 PolarHBondContact O-N 3.13Å; T355-M358 PolarHBondContact O-N 3.21Å; T356-M358 VanDerWaalsContact C-N 3.27Å; T356-M358 PolarHBondContact O-N 3.04Å; M358-Y360 VanDerWaalsContact C-N 3.32Å; M358-Y360 PolarHBondContact O-N 3.35Å; M358-I361 PolarHBondContact O-N 2.8Å; M358-I361 HydrophobicContact SD-CD1 4Å; M358-Y362 HydrophobicContact CB-CD2 4.36Å; M358-Y362 HydrophobicContact CB-CE2 3.98Å; M358-Y362 HydrophobicContact CE-CE1 3.98Å; M358-Y362 HydrophobicContact CE-CE2 3.84Å; M358-Y362 VanDerWaalsContact CE-CZ 3.45Å; M358-Y362 WeakPolarHBondContact CE-OH 3.42Å; M358-Y362 WeakPolarHBondContact O-CB 3.39Å; M358-Y362 WeakPolarHBondContact O-CD2 3.49Å; M358-Y362 VanDerWaalsContact O-CG 3.3Å; M358-Y362 PolarHBondContact O-N 2.91Å
359	T	94.8	Very high	92.7	Very high	87 Å²	87	50.2 Å²	50.2	53%	0.534	27%	0.265	S	S	.	.	H	α-helix	trans	-58	-42.8	173	-53.7	0	0	0	0	112.3	T355 T356 L357 Y362 T363	T355-T359 PolarHBondContact O-N 3.05Å; T355-T359 VanDerWaalsContact O-N 3.16Å; T355-T359 PolarHBondContact O-OG1 3.33Å; T356-T359 WeakPolarHBondContact O-CB 3.48Å; T356-T359 PolarHBondContact O-N 2.81Å; T356-T359 VanDerWaalsContact O-N 3.09Å; L357-T359 VanDerWaalsContact C-N 3.33Å; L357-T359 PolarHBondContact O-N 2.59Å; T359-Y362 PolarHBondContact O-N 3.47Å; T359-T363 PolarHBondContact O-N 2.8Å; T359-T363 VanDerWaalsContact O-N 3.09Å; T359-T363 PolarHBondContact O-OG1 2.76Å
360	Y	94.4	Very high	92.5	Very high	7 Å²	7	48.9 Å²	48.9	3%	0.027	26%	0.264	C	S	.	.	H	α-helix	trans	-66.1	-42.9	175.8	-78.2	-79.5	0	0	0	112.3	T356 L357 M358 Y362 T363 I364 F389 E397 L400 L401 L407	T356-Y360 HydrophobicContact CG2-CD2 4.05Å; T356-Y360 HydrophobicContact CG2-CE2 3.73Å; T356-Y360 VanDerWaalsContact O-CD2 3.24Å; T356-Y360 WeakPolarHBondContact O-CD2 3.45Å; T356-Y360 PolarHBondContact O-N 3.41Å; L357-Y360 PolarHBondContact O-N 2.78Å; M358-Y360 VanDerWaalsContact C-N 3.32Å; M358-Y360 PolarHBondContact O-N 3.35Å; Y360-Y362 PolarHBondContact O-N 3.01Å; Y360-T363 WeakPolarHBondContact O-CB 3.09Å; Y360-T363 PolarHBondContact O-N 2.79Å; Y360-I364 PolarHBondContact O-N 2.75Å; Y360-F389 AromaticContact CD2-CD1 3.85Å; Y360-F389 HydrophobicContact CD2-CD1 3.85Å; Y360-F389 AromaticContact CD2-CE1 3.43Å; Y360-F389 HydrophobicContact CD2-CE1 3.43Å; Y360-F389 VanDerWaalsContact CD2-CE1 3.43Å; Y360-F389 AromaticContact CD2-CZ 3.96Å; Y360-F389 HydrophobicContact CD2-CZ 3.96Å; Y360-F389 AromaticContact CE2-CD1 3.43Å; Y360-F389 HydrophobicContact CE2-CD1 3.43Å; Y360-F389 VanDerWaalsContact CE2-CD1 3.43Å; Y360-F389 AromaticContact CE2-CE1 3.52Å; Y360-F389 HydrophobicContact CE2-CE1 3.52Å; Y360-F389 HydrophobicContact CE2-CG 4.25Å; Y360-F389 HydrophobicContact CE2-CZ 4.4Å; Y360-F389 HydrophobicContact CG-CE1 4.17Å; Y360-E397 VanDerWaalsContact OH-CG 3.26Å; Y360-E397 WeakPolarHBondContact OH-CG 3.15Å; Y360-E397 PolarHBondContact OH-OE1 3.07Å; Y360-L400 HydrophobicContact CE1-CD2 3.97Å; Y360-L400 HydrophobicContact CE1-CG 4.32Å; Y360-L401 HydrophobicContact CD1-CD2 4.01Å; Y360-L401 HydrophobicContact CE1-CD2 3.35Å; Y360-L401 HydrophobicContact CE1-CG 3.97Å; Y360-L407 HydrophobicContact CD1-CD1 3.51Å; Y360-L407 HydrophobicContact CD1-CD2 3.85Å; Y360-L407 HydrophobicContact CD1-CG 4.35Å; Y360-L407 HydrophobicContact CE1-CD1 4.23Å; Y360-L407 HydrophobicContact CG-CD1 4.29Å
361	I	93.9	Very high	92.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.6	-44.2	176	-68.6	164.8	0	0	0	110.7	L348 L357 M358 T363 I364 G365 R369 F372 L411	L348-I361 HydrophobicContact CD1-CD1 4.35Å; L357-I361 HydrophobicContact CD1-CD1 4.03Å; L357-I361 HydrophobicContact CD1-CG1 4.26Å; L357-I361 HydrophobicContact CD2-CD1 4.49Å; L357-I361 HydrophobicContact CG-CD1 3.81Å; L357-I361 HydrophobicContact CG-CG1 4.47Å; L357-I361 WeakPolarHBondContact O-CG1 3.29Å; L357-I361 PolarHBondContact O-N 3.41Å; M358-I361 PolarHBondContact O-N 2.8Å; M358-I361 HydrophobicContact SD-CD1 4Å; I361-T363 VanDerWaalsContact C-N 3.27Å; I361-T363 PolarHBondContact O-N 2.81Å; I361-I364 PolarHBondContact O-N 2.95Å; I361-G365 PolarHBondContact O-N 2.78Å; I361-R369 HydrophobicContact CG2-CB 4.16Å; I361-R369 HydrophobicContact CG2-CG 4.41Å; I361-F372 HydrophobicContact CD1-CD2 4.4Å; I361-F372 HydrophobicContact CD1-CE2 3.76Å; I361-F372 HydrophobicContact CG1-CE2 4.39Å; I361-L411 HydrophobicContact CG1-CD1 4.33Å; I361-L411 HydrophobicContact CG1-CD2 4.41Å
362	Y	92.8	Very high	92.3	Very high	114 Å²	114	46.6 Å²	46.6	45%	0.447	25%	0.25	S	C	.	.	H	α-helix	trans	-63.6	-32.1	177.4	-69.5	-47.9	0	0	0	112.9	M358 T359 Y360 G365	M358-Y362 HydrophobicContact CB-CD2 4.36Å; M358-Y362 HydrophobicContact CB-CE2 3.98Å; M358-Y362 HydrophobicContact CE-CE1 3.98Å; M358-Y362 HydrophobicContact CE-CE2 3.84Å; M358-Y362 VanDerWaalsContact CE-CZ 3.45Å; M358-Y362 WeakPolarHBondContact CE-OH 3.42Å; M358-Y362 WeakPolarHBondContact O-CB 3.39Å; M358-Y362 WeakPolarHBondContact O-CD2 3.49Å; M358-Y362 VanDerWaalsContact O-CG 3.3Å; M358-Y362 PolarHBondContact O-N 2.91Å; T359-Y362 PolarHBondContact O-N 3.47Å; Y360-Y362 PolarHBondContact O-N 3.01Å; Y362-G365 PolarHBondContact O-N 3.27Å
363	T	91.4	Very high	92.1	Very high	55 Å²	55	42.5 Å²	42.5	34%	0.337	23%	0.232	S	C	.	.	H	α-helix	trans	-66.9	-37.4	177.6	-61.5	0	0	0	0	112.6	T359 Y360 I361 L407	T359-T363 PolarHBondContact O-N 2.8Å; T359-T363 VanDerWaalsContact O-N 3.09Å; T359-T363 PolarHBondContact O-OG1 2.76Å; Y360-T363 WeakPolarHBondContact O-CB 3.09Å; Y360-T363 PolarHBondContact O-N 2.79Å; I361-T363 VanDerWaalsContact C-N 3.27Å; I361-T363 PolarHBondContact O-N 2.81Å; T363-L407 HydrophobicContact CG2-CD2 4.3Å
364	I	89.9	Confident	91.4	Very high	24 Å²	24	43.7 Å²	43.7	12%	0.123	25%	0.249	C	C	.	.	H	α-helix	trans	-83.1	-29	176.2	-65.1	-56.9	0	0	0	112	Y360 I361 V368 R404 L407 E408 L411	Y360-I364 PolarHBondContact O-N 2.75Å; I361-I364 PolarHBondContact O-N 2.95Å; I364-V368 HydrophobicContact CG2-CG2 4.01Å; I364-R404 HydrophobicContact CD1-CB 4.24Å; I364-R404 WeakPolarHBondContact CD1-O 3.4Å; I364-L407 HydrophobicContact CD1-CB 4.04Å; I364-L407 HydrophobicContact CD1-CD2 3.71Å; I364-L407 HydrophobicContact CD1-CG 3.79Å; I364-L407 HydrophobicContact CG1-CB 4.43Å; I364-L407 HydrophobicContact CG1-CD2 3.69Å; I364-L407 HydrophobicContact CG1-CG 3.68Å; I364-E408 HydrophobicContact CD1-CB 4.25Å; I364-E408 HydrophobicContact CG2-CB 4.22Å; I364-E408 HydrophobicContact CG2-CG 4.11Å; I364-L411 HydrophobicContact CB-CD1 4.21Å; I364-L411 HydrophobicContact CG1-CD1 3.85Å
365	G	88.9	Confident	90.5	Very high	23 Å²	23	52.4 Å²	52.4	24%	0.237	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	-142.5	177.4	0	0	0	0	0	113.6	I361 Y362 T367 R369	I361-G365 PolarHBondContact O-N 2.78Å; Y362-G365 PolarHBondContact O-N 3.27Å; G365-T367 VanDerWaalsContact C-N 3.29Å; G365-T367 PolarHBondContact O-N 2.92Å; G365-R369 PolarHBondContact O-N 3.25Å
366	N	88.8	Confident	89.3	Confident	126 Å²	126	50.3 Å²	50.3	67%	0.674	28%	0.282	S	S	*	.	H	α-helix	trans	-72.2	-15.2	-164.8	-73	-18.9	0	0	0	115.2	V368 S370	N366-V368 VanDerWaalsContact C-N 3.27Å; N366-V368 PolarHBondContact O-N 2.76Å; N366-S370 VanDerWaalsContact O-CB 3.3Å; N366-S370 WeakPolarHBondContact O-CB 3.28Å; N366-S370 PolarHBondContact O-N 3.36Å; N366-S370 PolarHBondContact O-OG 2.93Å
367	T	87.9	Confident	88.8	Confident	63 Å²	63	50.6 Å²	50.6	39%	0.387	29%	0.292	S	S	.	.	H	α-helix	trans	-58.4	-40.3	-177.9	-50.8	0	0	0	0	112.4	G365 S370 Y371 E408	G365-T367 VanDerWaalsContact C-N 3.29Å; G365-T367 PolarHBondContact O-N 2.92Å; T367-S370 PolarHBondContact O-OG 2.98Å; T367-Y371 WeakPolarHBondContact O-CE2 3.47Å; T367-E408 HydrophobicContact CG2-CG 4.21Å; T367-E408 WeakPolarHBondContact CG2-OE1 3.4Å
368	V	88.8	Confident	88.6	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.006	31%	0.311	C	S	.	.	H	α-helix	trans	-96.5	-39.8	177.9	179.9	0	0	0	0	110.4	I364 N366 S370 Y371 F372 L411 I415	I364-V368 HydrophobicContact CG2-CG2 4.01Å; N366-V368 VanDerWaalsContact C-N 3.27Å; N366-V368 PolarHBondContact O-N 2.76Å; V368-S370 PolarHBondContact O-N 3.29Å; V368-Y371 WeakPolarHBondContact O-CD2 3.31Å; V368-Y371 PolarHBondContact O-N 3.46Å; V368-F372 HydrophobicContact CG1-CE2 3.8Å; V368-F372 HydrophobicContact CG1-CZ 3.91Å; V368-L411 HydrophobicContact CG1-CB 4.06Å; V368-L411 HydrophobicContact CG2-CB 3.82Å; V368-L411 HydrophobicContact CG2-CD1 4.17Å; V368-I415 HydrophobicContact CG1-CD1 3.7Å
369	R	90.7	Very high	88.5	Confident	73 Å²	73	54 Å²	54	28%	0.275	31%	0.309	S	S	.	.	H	α-helix	trans	-63.9	-25.3	-175.5	-164	175	-177.6	-163.3	-3.4	113.8	D345 I361 G365 Y371 F372 S373	D345-R369 WeakPolarHBondContact OD1-CG 3.21Å; D345-R369 IonicContact OD1-CZ 3.7Å; D345-R369 IonicContact OD1-NE 3.68Å; D345-R369 PolarHBondContact OD1-NE 2.77Å; D345-R369 IonicContact OD1-NH2 3.77Å; D345-R369 PolarHBondContact OD1-NH2 3.44Å; D345-R369 IonicContact OD2-CZ 3.5Å; D345-R369 IonicContact OD2-NE 2.63Å; D345-R369 PolarHBondContact OD2-NE 3.01Å; D345-R369 IonicContact OD2-NH2 3.72Å; D345-R369 PolarHBondContact OD2-NH2 2.97Å; I361-R369 HydrophobicContact CG2-CB 4.16Å; I361-R369 HydrophobicContact CG2-CG 4.41Å; G365-R369 PolarHBondContact O-N 3.25Å; R369-Y371 PolarHBondContact O-N 3.49Å; R369-F372 PolarHBondContact O-N 3.2Å; R369-S373 PolarHBondContact O-N 3.49Å
370	S	90.8	Very high	88.5	Confident	57 Å²	57	49.8 Å²	49.8	40%	0.399	28%	0.284	S	S	.	.	H	α-helix	trans	-57.1	-36.2	176.3	61.2	0	0	0	0	113	N366 T367 V368 F372 S373	N366-S370 VanDerWaalsContact O-CB 3.3Å; N366-S370 WeakPolarHBondContact O-CB 3.28Å; N366-S370 PolarHBondContact O-N 3.36Å; N366-S370 PolarHBondContact O-OG 2.93Å; T367-S370 PolarHBondContact O-OG 2.98Å; V368-S370 PolarHBondContact O-N 3.29Å; S370-F372 VanDerWaalsContact C-N 3.27Å; S370-F372 PolarHBondContact O-N 3.22Å; S370-S373 WeakPolarHBondContact O-CB 3.38Å; S370-S373 PolarHBondContact O-N 3.33Å; S370-S373 PolarHBondContact O-OG 3.26Å
371	Y	90.8	Very high	88.6	Confident	66 Å²	66	49.5 Å²	49.5	26%	0.259	28%	0.283	S	S	.	.	H	α-helix	trans	-66.3	-27.1	175.8	-66	-78.9	0	0	0	113.1	T367 V368 R369 V379 I415 V435 N475	T367-Y371 WeakPolarHBondContact O-CE2 3.47Å; V368-Y371 WeakPolarHBondContact O-CD2 3.31Å; V368-Y371 PolarHBondContact O-N 3.46Å; R369-Y371 PolarHBondContact O-N 3.49Å; Y371-V379 HydrophobicContact CD1-CG1 4.39Å; Y371-I415 HydrophobicContact CD2-CD1 4.21Å; Y371-I415 HydrophobicContact CG-CD1 4.41Å; Y371-V435 HydrophobicContact CE1-CG1 4.2Å; Y371-V435 HydrophobicContact CE1-CG2 4.14Å; Y371-V435 HydrophobicContact CE2-CG1 4.02Å; Y371-V435 WeakPolarHBondContact OH-CG1 3.48Å; Y371-N475 PolarHBondContact O-ND2 3.44Å
372	F	91.5	Very high	88.8	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-89.4	-6.2	-178.3	-52.4	-32.8	0	0	0	113.5	I344 D345 L348 I361 V368 R369 S370 F381 I415 N475	I344-F372 HydrophobicContact CB-CB 4.16Å; I344-F372 HydrophobicContact CB-CD1 4.33Å; I344-F372 HydrophobicContact CG2-CB 4Å; I344-F372 HydrophobicContact CG2-CD1 3.61Å; I344-F372 HydrophobicContact CG2-CE1 4.29Å; I344-F372 HydrophobicContact CG2-CG 3.86Å; D345-F372 HydrophobicContact CB-CB 4.02Å; D345-F372 PolarHBondContact N-O 3.06Å; L348-F372 HydrophobicContact CD1-CD2 4.32Å; L348-F372 HydrophobicContact CD1-CE2 4.46Å; I361-F372 HydrophobicContact CD1-CD2 4.4Å; I361-F372 HydrophobicContact CD1-CE2 3.76Å; I361-F372 HydrophobicContact CG1-CE2 4.39Å; V368-F372 HydrophobicContact CG1-CE2 3.8Å; V368-F372 HydrophobicContact CG1-CZ 3.91Å; R369-F372 PolarHBondContact O-N 3.2Å; S370-F372 VanDerWaalsContact C-N 3.27Å; S370-F372 PolarHBondContact O-N 3.22Å; F372-F381 HydrophobicContact CE1-CB 4.08Å; F372-F381 AromaticContact CE1-CD1 3.98Å; F372-F381 HydrophobicContact CE1-CD1 3.98Å; F372-F381 AromaticContact CE1-CD2 3.66Å; F372-F381 HydrophobicContact CE1-CD2 3.66Å; F372-F381 HydrophobicContact CE1-CE1 4.32Å; F372-F381 HydrophobicContact CE1-CE2 4.04Å; F372-F381 AromaticContact CE1-CG 3.63Å; F372-F381 HydrophobicContact CE1-CG 3.63Å; F372-F381 HydrophobicContact CE1-CZ 4.34Å; F372-F381 HydrophobicContact CE2-CE1 4.34Å; F372-F381 HydrophobicContact CE2-CE2 4.44Å; F372-F381 HydrophobicContact CE2-CZ 4.18Å; F372-F381 HydrophobicContact CZ-CD1 4.01Å; F372-F381 AromaticContact CZ-CD2 3.62Å; F372-F381 HydrophobicContact CZ-CD2 3.62Å; F372-F381 AromaticContact CZ-CE1 3.87Å; F372-F381 HydrophobicContact CZ-CE1 3.87Å; F372-F381 AromaticContact CZ-CE2 3.47Å; F372-F381 HydrophobicContact CZ-CE2 3.47Å; F372-F381 VanDerWaalsContact CZ-CE2 3.47Å; F372-F381 AromaticContact CZ-CG 3.89Å; F372-F381 HydrophobicContact CZ-CG 3.89Å; F372-F381 AromaticContact CZ-CZ 3.6Å; F372-F381 HydrophobicContact CZ-CZ 3.6Å; F372-I415 HydrophobicContact CE1-CD1 3.79Å; F372-I415 HydrophobicContact CE1-CG1 3.99Å; F372-I415 HydrophobicContact CZ-CD1 3.69Å; F372-I415 HydrophobicContact CZ-CG1 4.06Å; F372-N475 WeakPolarHBondContact CA-ND2 3.48Å; F372-N475 PolarHBondContact O-ND2 2.93Å
373	S	87.4	Confident	89	Confident	44 Å²	44	44.1 Å²	44.1	31%	0.308	26%	0.262	S	S	.	.	S	Bend	trans	-77	158.2	172.8	79.2	0	0	0	0	111.7	R369 S370 H375 G376 N475	R369-S373 PolarHBondContact O-N 3.49Å; S370-S373 WeakPolarHBondContact O-CB 3.38Å; S370-S373 PolarHBondContact O-N 3.33Å; S370-S373 PolarHBondContact O-OG 3.26Å; S373-H375 PolarHBondContact O-N 2.84Å; S373-G376 PolarHBondContact O-N 3.17Å; S373-N475 PolarHBondContact O-ND2 2.84Å
374	A	78.7	Confident	89.3	Confident	60 Å²	60	41.5 Å²	41.5	50%	0.496	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-22.6	178.7	0	0	0	0	0	113.9	T343	T343-A374 HydrophobicContact CG2-CB 4.09Å
375	H	75.7	Confident	89.6	Confident	183 Å²	183	40.6 Å²	40.6	85%	0.847	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-4.6	180	-56.1	95.7	0	0	0	113.3	S373 G377	S373-H375 PolarHBondContact O-N 2.84Å; H375-G377 PolarHBondContact O-N 3.37Å
376	G	71.7	Confident	89.9	Confident	28 Å²	28	40.3 Å²	40.3	29%	0.289	23%	0.234	S	C	.	.	S	Bend	trans	-73.6	-2.9	-174.7	0	0	0	0	0	115.6	S373	S373-G376 PolarHBondContact O-N 3.17Å
377	G	84.2	Confident	90.1	Very high	42 Å²	42	35.1 Å²	35.1	43%	0.433	21%	0.206	S	C	.	.			trans	77.9	-177.3	-171	0	0	0	0	0	112.6	H375	H375-G377 PolarHBondContact O-N 3.37Å
378	L	91.2	Very high	90.5	Very high	79 Å²	79	32.2 Å²	32.2	41%	0.414	19%	0.188	S	C	.	.	S	Bend	trans	-75.1	125.2	175.5	-69.2	172.7	0	0	0	109.9	S418 K419 N475	L378-S418 CarbonylContact O-C 3.47Å; L378-S418 WeakPolarHBondContact O-CA 3.22Å; L378-S418 PolarHBondContact O-N 3.37Å; L378-K419 PolarHBondContact O-N 3.12Å; L378-N475 WeakPolarHBondContact CA-O 3.48Å
379	V	94.5	Very high	90.8	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	148.6	177	-57.1	0	0	0	0	111.8	I344 Y371 I415 V416 K419 N475 G476 I477	I344-V379 HydrophobicContact CD1-CG2 3.36Å; Y371-V379 HydrophobicContact CD1-CG1 4.39Å; V379-I415 HydrophobicContact CB-CG2 4.26Å; V379-I415 HydrophobicContact CG1-CG2 4.44Å; V379-V416 WeakPolarHBondContact CA-O 3.37Å; V379-K419 CarbonylContact C-O 3.57Å; V379-K419 VanDerWaalsContact C-O 3.26Å; V379-N475 PolarHBondContact N-O 3.32Å; V379-G476 CarbonylContact O-C 3.57Å; V379-G476 WeakPolarHBondContact O-CA 3.43Å; V379-I477 PolarHBondContact O-N 2.91Å
380	T	95.2	Very high	90.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121	164.4	-52.1	0	0	0	0	108.1	F382 V416 K419 L421 I477	T380-F382 HydrophobicContact CG2-CE2 3.83Å; T380-F382 HydrophobicContact CG2-CZ 3.85Å; T380-V416 PolarHBondContact N-O 3.31Å; T380-V416 PolarHBondContact O-N 3.03Å; T380-K419 PolarHBondContact N-O 3.42Å; T380-K419 PolarHBondContact OG1-O 3.08Å; T380-L421 HydrophobicContact CG2-CB 4.15Å; T380-L421 PolarHBondContact OG1-N 3.05Å; T380-I477 CarbonylContact C-O 3.53Å; T380-I477 WeakPolarHBondContact CA-O 3.42Å
381	F	96.6	Very high	91	Very high	1 Å²	1	33.7 Å²	33.7	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	123	179.3	-177	-131	0	0	0	110.8	I344 L348 L357 F372 A383 H414 I415 I477 I478 H479	I344-F381 HydrophobicContact CG2-CD1 4.14Å; L348-F381 HydrophobicContact CD1-CD1 3.98Å; L348-F381 HydrophobicContact CD1-CE1 3.59Å; L348-F381 HydrophobicContact CD2-CD1 4.31Å; L348-F381 HydrophobicContact CD2-CE1 4Å; L348-F381 HydrophobicContact CG-CE1 4.43Å; L357-F381 HydrophobicContact CD1-CZ 4.33Å; L357-F381 HydrophobicContact CD2-CE1 3.78Å; L357-F381 HydrophobicContact CD2-CZ 3.84Å; F372-F381 HydrophobicContact CE1-CB 4.08Å; F372-F381 AromaticContact CE1-CD1 3.98Å; F372-F381 HydrophobicContact CE1-CD1 3.98Å; F372-F381 AromaticContact CE1-CD2 3.66Å; F372-F381 HydrophobicContact CE1-CD2 3.66Å; F372-F381 HydrophobicContact CE1-CE1 4.32Å; F372-F381 HydrophobicContact CE1-CE2 4.04Å; F372-F381 AromaticContact CE1-CG 3.63Å; F372-F381 HydrophobicContact CE1-CG 3.63Å; F372-F381 HydrophobicContact CE1-CZ 4.34Å; F372-F381 HydrophobicContact CE2-CE1 4.34Å; F372-F381 HydrophobicContact CE2-CE2 4.44Å; F372-F381 HydrophobicContact CE2-CZ 4.18Å; F372-F381 HydrophobicContact CZ-CD1 4.01Å; F372-F381 AromaticContact CZ-CD2 3.62Å; F372-F381 HydrophobicContact CZ-CD2 3.62Å; F372-F381 AromaticContact CZ-CE1 3.87Å; F372-F381 HydrophobicContact CZ-CE1 3.87Å; F372-F381 AromaticContact CZ-CE2 3.47Å; F372-F381 HydrophobicContact CZ-CE2 3.47Å; F372-F381 VanDerWaalsContact CZ-CE2 3.47Å; F372-F381 AromaticContact CZ-CG 3.89Å; F372-F381 HydrophobicContact CZ-CG 3.89Å; F372-F381 AromaticContact CZ-CZ 3.6Å; F372-F381 HydrophobicContact CZ-CZ 3.6Å; F381-A383 HydrophobicContact CD1-CB 3.76Å; F381-A383 HydrophobicContact CE1-CB 3.51Å; F381-A383 HydrophobicContact CZ-CB 4.25Å; F381-A383 PolarHBondContact O-N 3.21Å; F381-H414 HydrophobicContact CD2-CB 4.18Å; F381-H414 WeakPolarHBondContact CD2-O 3.46Å; F381-H414 HydrophobicContact CE2-CB 3.74Å; F381-I415 HydrophobicContact CD2-CG1 3.66Å; F381-I415 HydrophobicContact CE2-CG1 4.03Å; F381-I477 PolarHBondContact N-O 3.3Å; F381-I478 HydrophobicContact CD1-CG2 4.4Å; F381-I478 CarbonylContact O-C 3.56Å; F381-I478 VanDerWaalsContact O-CA 3.32Å; F381-I478 WeakPolarHBondContact O-CA 3.11Å; F381-H479 PolarHBondContact O-N 3.22Å
382	F	97.6	Very high	91	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	93.2	172.3	-66.4	-82	0	0	0	108.6	T380 P384 H414 V416 L421 L441 F443 V457 I466 H479 I481 L485	T380-F382 HydrophobicContact CG2-CE2 3.83Å; T380-F382 HydrophobicContact CG2-CZ 3.85Å; F382-P384 VanDerWaalsContact O-CD 3.27Å; F382-P384 WeakPolarHBondContact O-CD 3.34Å; F382-H414 PolarHBondContact N-O 3.4Å; F382-H414 WeakPolarHBondContact O-CB 3.42Å; F382-H414 PolarHBondContact O-CD2 3.22Å; F382-V416 HydrophobicContact CE2-CG2 3.93Å; F382-L421 HydrophobicContact CZ-CD2 4.41Å; F382-L441 HydrophobicContact CD2-CD1 3.55Å; F382-L441 HydrophobicContact CE2-CD1 3.62Å; F382-F443 AromaticContact CE1-CE1 3.69Å; F382-F443 HydrophobicContact CE1-CE1 3.69Å; F382-F443 HydrophobicContact CE1-CZ 4.36Å; F382-F443 HydrophobicContact CE2-CE1 4.09Å; F382-F443 AromaticContact CE2-CZ 3.95Å; F382-F443 HydrophobicContact CE2-CZ 3.95Å; F382-F443 AromaticContact CZ-CE1 3.3Å; F382-F443 HydrophobicContact CZ-CE1 3.3Å; F382-F443 AromaticContact CZ-CZ 3.53Å; F382-F443 HydrophobicContact CZ-CZ 3.53Å; F382-V457 HydrophobicContact CD1-CB 4.31Å; F382-V457 HydrophobicContact CD1-CG1 3.95Å; F382-V457 HydrophobicContact CD1-CG2 4.33Å; F382-V457 HydrophobicContact CE1-CB 4.3Å; F382-V457 HydrophobicContact CE1-CG1 4.4Å; F382-V457 HydrophobicContact CE1-CG2 4.33Å; F382-I466 HydrophobicContact CE1-CD1 4.21Å; F382-H479 CarbonylContact C-O 3.58Å; F382-H479 VanDerWaalsContact CA-O 3.26Å; F382-H479 WeakPolarHBondContact CA-O 3.23Å; F382-H479 HydrophobicContact CD1-CB 3.67Å; F382-H479 HydrophobicContact CE1-CB 3.79Å; F382-H479 AromaticContact CE1-CD2 3.7Å; F382-H479 AromaticContact CE1-CG 3.9Å; F382-I481 HydrophobicContact CB-CD1 4.1Å; F382-I481 HydrophobicContact CB-CG2 4.26Å; F382-I481 HydrophobicContact CD1-CG2 4.04Å; F382-L485 HydrophobicContact CB-CD1 4.41Å
383	A	97.7	Very high	91	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	113.3	-173.5	0	0	0	0	0	111.3	L348 L357 F381 I385 I478 H479 Y480 I481	L348-A383 HydrophobicContact CD2-CB 3.9Å; L357-A383 HydrophobicContact CD2-CB 3.69Å; F381-A383 HydrophobicContact CD1-CB 3.76Å; F381-A383 HydrophobicContact CE1-CB 3.51Å; F381-A383 HydrophobicContact CZ-CB 4.25Å; F381-A383 PolarHBondContact O-N 3.21Å; A383-I385 PolarHBondContact O-N 2.92Å; A383-I478 HydrophobicContact CB-CG2 3.66Å; A383-H479 PolarHBondContact N-O 3.15Å; A383-Y480 HydrophobicContact CB-CD1 3.61Å; A383-Y480 HydrophobicContact CB-CE1 3.7Å; A383-Y480 CarbonylContact O-C 3.58Å; A383-Y480 WeakPolarHBondContact O-CA 3.5Å; A383-I481 PolarHBondContact O-N 3.48Å
384	P	97.6	Very high	91.2	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	132.5	173.3	-16.8	31.4	0	0	0	111.2	F382 A388 F389 H414 I481 V484	F382-P384 VanDerWaalsContact O-CD 3.27Å; F382-P384 WeakPolarHBondContact O-CD 3.34Å; P384-A388 HydrophobicContact CB-CB 3.76Å; P384-F389 HydrophobicContact CB-CE2 3.81Å; P384-F389 HydrophobicContact CB-CZ 4.14Å; P384-F389 HydrophobicContact CG-CZ 4.42Å; P384-H414 WeakPolarHBondContact CG-NE2 3.41Å; P384-I481 WeakPolarHBondContact CA-O 3.09Å; P384-I481 HydrophobicContact CB-CG1 4.24Å; P384-I481 HydrophobicContact CG-CD1 4.23Å; P384-I481 HydrophobicContact CG-CG1 4.19Å; P384-V484 HydrophobicContact CB-CG2 3.78Å; P384-V484 HydrophobicContact CG-CB 4.44Å; P384-V484 HydrophobicContact CG-CG1 4.43Å; P384-V484 HydrophobicContact CG-CG2 4.08Å
385	I	96.1	Very high	91.7	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.026	20%	0.2	C	C	.	.			trans	-73.1	164.2	173.9	65.2	-176.9	0	0	0	111.1	Y353 A383 E387 A388 F389 W467 Y480 I481 D482	Y353-I385 CarbonylContact O-C 3.4Å; Y353-I385 VanDerWaalsContact O-CA 3.28Å; Y353-I385 WeakPolarHBondContact O-CA 3.42Å; A383-I385 PolarHBondContact O-N 2.92Å; I385-E387 HydrophobicContact CD1-CB 4.02Å; I385-E387 HydrophobicContact CD1-CG 4.47Å; I385-E387 VanDerWaalsContact CD1-OE2 3.31Å; I385-E387 WeakPolarHBondContact CD1-OE2 3.49Å; I385-E387 HydrophobicContact CG1-CB 4.05Å; I385-E387 WeakPolarHBondContact CG1-OE2 3.13Å; I385-E387 PolarHBondContact O-N 2.95Å; I385-A388 HydrophobicContact CG1-CB 4.26Å; I385-A388 WeakPolarHBondContact O-CA 3.33Å; I385-A388 WeakPolarHBondContact O-CB 3.36Å; I385-A388 PolarHBondContact O-N 2.99Å; I385-F389 WeakPolarHBondContact O-CD2 3.13Å; I385-W467 HydrophobicContact CD1-CD2 4.41Å; I385-W467 HydrophobicContact CD1-CG 4.27Å; I385-W467 HydrophobicContact CG2-CD2 4.5Å; I385-W467 HydrophobicContact CG2-CE3 3.98Å; I385-W467 HydrophobicContact CG2-CZ3 4.44Å; I385-Y480 HydrophobicContact CG2-CD1 4.26Å; I385-Y480 HydrophobicContact CG2-CG 4.41Å; I385-I481 PolarHBondContact N-O 3.22Å; I385-D482 HydrophobicContact CD1-CB 4.39Å
386	N	95.1	Very high	92.4	Very high	17 Å²	17	27.6 Å²	27.6	9%	0.091	16%	0.16	C	C	.	.	H	α-helix	trans	-51.3	-43	177.5	-67.1	-28.4	0	0	0	112.6	D352 Y353 T355 T356 A388 F389 D390	D352-N386 PolarHBondContact O-ND2 2.95Å; Y353-N386 VanDerWaalsContact O-CG 3.28Å; Y353-N386 PolarHBondContact O-N 3.17Å; Y353-N386 PolarHBondContact O-OD1 3.12Å; T355-N386 PolarHBondContact N-OD1 2.84Å; T355-N386 PolarHBondContact OG1-ND2 3.38Å; T355-N386 PolarHBondContact OG1-OD1 2.04Å; T356-N386 VanDerWaalsContact CB-OD1 3.27Å; T356-N386 WeakPolarHBondContact CB-OD1 3.44Å; T356-N386 PolarHBondContact N-OD1 2.64Å; T356-N386 PolarHBondContact OG1-OD1 3.32Å; N386-A388 PolarHBondContact O-N 3.19Å; N386-A388 VanDerWaalsContact O-N 3.17Å; N386-F389 WeakPolarHBondContact O-CB 3.15Å; N386-F389 PolarHBondContact O-N 2.88Å; N386-D390 PolarHBondContact O-N 2.68Å
387	E	93.2	Very high	93.4	Very high	17 Å²	17	29.1 Å²	29.1	8%	0.079	16%	0.159	C	C	.	.	H	α-helix	trans	-61.3	-25.5	177.8	-63.5	67.1	-149.4	0	0	112.8	K290 I385 F389 D390 R391	K290-E387 HydrophobicContact CD-CG 4.44Å; K290-E387 WeakPolarHBondContact CE-OE1 3.49Å; K290-E387 HydrophobicContact CG-CG 4.03Å; I385-E387 HydrophobicContact CD1-CB 4.02Å; I385-E387 HydrophobicContact CD1-CG 4.47Å; I385-E387 VanDerWaalsContact CD1-OE2 3.31Å; I385-E387 WeakPolarHBondContact CD1-OE2 3.49Å; I385-E387 HydrophobicContact CG1-CB 4.05Å; I385-E387 WeakPolarHBondContact CG1-OE2 3.13Å; I385-E387 PolarHBondContact O-N 2.95Å; E387-F389 VanDerWaalsContact C-N 3.32Å; E387-D390 VanDerWaalsContact CA-OD2 3.32Å; E387-D390 WeakPolarHBondContact CA-OD2 3.48Å; E387-R391 WeakPolarHBondContact O-CD 3.45Å; E387-R391 WeakPolarHBondContact O-CG 3.4Å
388	A	95.2	Very high	93.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.008	16%	0.16	C	C	.	.	H	α-helix	trans	-67.1	-35.8	175.3	0	0	0	0	0	111.5	P384 I385 N386 D482 V484	P384-A388 HydrophobicContact CB-CB 3.76Å; I385-A388 HydrophobicContact CG1-CB 4.26Å; I385-A388 WeakPolarHBondContact O-CA 3.33Å; I385-A388 WeakPolarHBondContact O-CB 3.36Å; I385-A388 PolarHBondContact O-N 2.99Å; N386-A388 PolarHBondContact O-N 3.19Å; N386-A388 VanDerWaalsContact O-N 3.17Å; A388-D482 VanDerWaalsContact CB-C 3.5Å; A388-V484 HydrophobicContact CB-CG2 4.16Å
389	F	94.9	Very high	93.7	Very high	8 Å²	8	33.9 Å²	33.9	4%	0.035	16%	0.159	C	C	.	.	H	α-helix	trans	-76.6	-38.2	177.7	-67.3	-85.4	0	0	0	111.9	T356 L357 Y360 P384 I385 N386 E387 R391 I392 V484	T356-F389 HydrophobicContact CG2-CB 3.72Å; T356-F389 HydrophobicContact CG2-CD1 4.08Å; T356-F389 HydrophobicContact CG2-CD2 3.67Å; T356-F389 HydrophobicContact CG2-CE2 4.3Å; T356-F389 HydrophobicContact CG2-CG 3.55Å; L357-F389 HydrophobicContact CB-CE2 3.87Å; L357-F389 HydrophobicContact CB-CZ 4.13Å; L357-F389 HydrophobicContact CD1-CE2 4.5Å; L357-F389 HydrophobicContact CD1-CZ 4.03Å; Y360-F389 AromaticContact CD2-CD1 3.85Å; Y360-F389 HydrophobicContact CD2-CD1 3.85Å; Y360-F389 AromaticContact CD2-CE1 3.43Å; Y360-F389 HydrophobicContact CD2-CE1 3.43Å; Y360-F389 VanDerWaalsContact CD2-CE1 3.43Å; Y360-F389 AromaticContact CD2-CZ 3.96Å; Y360-F389 HydrophobicContact CD2-CZ 3.96Å; Y360-F389 AromaticContact CE2-CD1 3.43Å; Y360-F389 HydrophobicContact CE2-CD1 3.43Å; Y360-F389 VanDerWaalsContact CE2-CD1 3.43Å; Y360-F389 AromaticContact CE2-CE1 3.52Å; Y360-F389 HydrophobicContact CE2-CE1 3.52Å; Y360-F389 HydrophobicContact CE2-CG 4.25Å; Y360-F389 HydrophobicContact CE2-CZ 4.4Å; Y360-F389 HydrophobicContact CG-CE1 4.17Å; P384-F389 HydrophobicContact CB-CE2 3.81Å; P384-F389 HydrophobicContact CB-CZ 4.14Å; P384-F389 HydrophobicContact CG-CZ 4.42Å; I385-F389 WeakPolarHBondContact O-CD2 3.13Å; N386-F389 WeakPolarHBondContact O-CB 3.15Å; N386-F389 PolarHBondContact O-N 2.88Å; E387-F389 VanDerWaalsContact C-N 3.32Å; F389-R391 PolarHBondContact O-N 3.38Å; F389-I392 HydrophobicContact CD1-CD1 4.02Å; F389-I392 VanDerWaalsContact O-CB 3.31Å; F389-I392 WeakPolarHBondContact O-CB 3.34Å; F389-I392 WeakPolarHBondContact O-CG1 3.41Å; F389-I392 PolarHBondContact O-N 2.88Å; F389-V484 HydrophobicContact CD1-CG2 3.81Å; F389-V484 HydrophobicContact CD2-CG2 4.39Å; F389-V484 HydrophobicContact CE1-CG2 3.71Å; F389-V484 HydrophobicContact CE2-CG2 4.3Å; F389-V484 HydrophobicContact CG-CG2 4.15Å; F389-V484 HydrophobicContact CZ-CG2 3.97Å
390	D	93.1	Very high	93.5	Very high	98 Å²	98	33.9 Å²	33.9	52%	0.524	16%	0.159	S	C	.	.	H	α-helix	trans	-62	-20.1	177.4	-54.8	-52.1	0	0	0	113.5	K290 N386 E387 I392	K290-D390 WeakPolarHBondContact CE-OD2 3.28Å; K290-D390 IonicContact NZ-OD1 3.92Å; K290-D390 IonicContact NZ-OD2 2.64Å; K290-D390 PolarHBondContact NZ-OD2 2.86Å; N386-D390 PolarHBondContact O-N 2.68Å; E387-D390 VanDerWaalsContact CA-OD2 3.32Å; E387-D390 WeakPolarHBondContact CA-OD2 3.48Å; D390-I392 VanDerWaalsContact C-N 3.29Å
391	R	92	Very high	93.3	Very high	56 Å²	56	37.7 Å²	37.7	21%	0.211	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-13.6	176.5	-72.3	154.9	174.7	-167.6	17	112.9	E387 F389 D482 R483 Y489	E387-R391 WeakPolarHBondContact O-CD 3.45Å; E387-R391 WeakPolarHBondContact O-CG 3.4Å; F389-R391 PolarHBondContact O-N 3.38Å; R391-D482 IonicContact CZ-OD2 3.51Å; R391-D482 VanDerWaalsContact NH1-CG 3.28Å; R391-D482 PolarHBondContact NH1-O 3.41Å; R391-D482 IonicContact NH1-OD2 3.38Å; R391-D482 PolarHBondContact NH1-OD2 3.22Å; R391-D482 IonicContact NH2-OD2 3.35Å; R391-R483 VanDerWaalsContact NH1-NE 3.14Å; R391-Y489 WeakPolarHBondContact O-CB 3.06Å
392	I	92.7	Very high	93	Very high	11 Å²	11	47.2 Å²	47.2	6%	0.056	21%	0.214	C	C	.	.	S	Bend	trans	-76.9	127.2	179.7	-59.5	170.8	0	0	0	108	F389 D390 E394 V396 E397 V484 V487	F389-I392 HydrophobicContact CD1-CD1 4.02Å; F389-I392 VanDerWaalsContact O-CB 3.31Å; F389-I392 WeakPolarHBondContact O-CB 3.34Å; F389-I392 WeakPolarHBondContact O-CG1 3.41Å; F389-I392 PolarHBondContact O-N 2.88Å; D390-I392 VanDerWaalsContact C-N 3.29Å; I392-E394 PolarHBondContact O-N 3.43Å; I392-V396 HydrophobicContact CG2-CB 3.85Å; I392-V396 HydrophobicContact CG2-CG1 3.9Å; I392-E397 HydrophobicContact CG2-CB 4.05Å; I392-V484 HydrophobicContact CD1-CB 4.2Å; I392-V484 HydrophobicContact CD1-CG2 3.82Å; I392-V487 HydrophobicContact CD1-CB 4.49Å; I392-V487 HydrophobicContact CD1-CG1 3.93Å; I392-V487 HydrophobicContact CG1-CG1 4.07Å; I392-V487 HydrophobicContact CG2-CG1 3.94Å
393	P	91.4	Very high	92.8	Very high	38 Å²	38	49.9 Å²	49.9	25%	0.247	23%	0.229	C	C	.	.			trans	-60.8	138.2	174.4	-22.6	32.3	0	0	0	111.8	P395 V396 E397 I623	P393-P395 VanDerWaalsContact C-CD 3.4Å; P393-P395 VanDerWaalsContact C-N 3.34Å; P393-P395 VanDerWaalsContact O-N 3.14Å; P393-V396 HydrophobicContact CB-CG2 4.23Å; P393-V396 HydrophobicContact CG-CG2 4.39Å; P393-V396 WeakPolarHBondContact O-CA 3.29Å; P393-V396 WeakPolarHBondContact O-CB 3.37Å; P393-V396 PolarHBondContact O-N 2.87Å; P393-E397 PolarHBondContact O-N 3.27Å; P393-I623 HydrophobicContact CG-CD1 3.75Å
394	E	91.1	Very high	92.5	Very high	122 Å²	122	58 Å²	58	57%	0.57	26%	0.26	S	S	*	.	H	α-helix	trans	-50.2	-40.5	-176.5	-166.7	-159.8	148.7	0	0	114.5	I392 V396 E397 R398	I392-E394 PolarHBondContact O-N 3.43Å; E394-V396 VanDerWaalsContact C-N 3.3Å; E394-V396 PolarHBondContact O-N 3.19Å; E394-E397 PolarHBondContact O-N 3.07Å; E394-R398 WeakPolarHBondContact O-CB 3.41Å; E394-R398 WeakPolarHBondContact O-CG 3.28Å; E394-R398 PolarHBondContact O-N 3.07Å; E394-R398 IonicContact OE1-CZ 3.75Å; E394-R398 IonicContact OE1-NE 3.69Å
395	P	88.9	Confident	92.3	Very high	54 Å²	54	63.6 Å²	63.6	35%	0.351	29%	0.288	S	S	.	.	H	α-helix	trans	-62.4	-35.8	175.7	-22.8	35	0	0	0	113.6	P393 R399 V523 L524	P393-P395 VanDerWaalsContact C-CD 3.4Å; P393-P395 VanDerWaalsContact C-N 3.34Å; P393-P395 VanDerWaalsContact O-N 3.14Å; P395-R399 PolarHBondContact O-N 2.63Å; P395-V523 HydrophobicContact CB-CG1 4.19Å; P395-L524 WeakPolarHBondContact O-CD1 3.34Å
396	V	90.1	Very high	92.1	Very high	0 Å²	0	64.7 Å²	64.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-72	-44	178.4	-176.9	0	0	0	0	110.1	I392 P393 E394 R399 L400 W406 V487 V523 L524 I623	I392-V396 HydrophobicContact CG2-CB 3.85Å; I392-V396 HydrophobicContact CG2-CG1 3.9Å; P393-V396 HydrophobicContact CB-CG2 4.23Å; P393-V396 HydrophobicContact CG-CG2 4.39Å; P393-V396 WeakPolarHBondContact O-CA 3.29Å; P393-V396 WeakPolarHBondContact O-CB 3.37Å; P393-V396 PolarHBondContact O-N 2.87Å; E394-V396 VanDerWaalsContact C-N 3.3Å; E394-V396 PolarHBondContact O-N 3.19Å; V396-R399 PolarHBondContact O-N 3.2Å; V396-L400 WeakPolarHBondContact O-CB 3.34Å; V396-L400 PolarHBondContact O-N 2.83Å; V396-W406 HydrophobicContact CG1-CH2 3.89Å; V396-V487 HydrophobicContact CG1-CG1 3.75Å; V396-V523 HydrophobicContact CG2-CG1 4.2Å; V396-L524 HydrophobicContact CB-CD1 4.41Å; V396-L524 HydrophobicContact CG2-CD1 4.08Å; V396-I623 HydrophobicContact CG2-CG1 4.35Å; V396-I623 HydrophobicContact CG2-CG2 4.23Å
397	E	92.2	Very high	92	Very high	60 Å²	60	64 Å²	64	28%	0.28	29%	0.288	S	S	.	.	H	α-helix	trans	-60.4	-47.3	176	-170	-178.1	-161.7	0	0	111.9	Y360 I392 P393 E394 R399 L400 L401	Y360-E397 VanDerWaalsContact OH-CG 3.26Å; Y360-E397 WeakPolarHBondContact OH-CG 3.15Å; Y360-E397 PolarHBondContact OH-OE1 3.07Å; I392-E397 HydrophobicContact CG2-CB 4.05Å; P393-E397 PolarHBondContact O-N 3.27Å; E394-E397 PolarHBondContact O-N 3.07Å; E397-R399 VanDerWaalsContact C-N 3.26Å; E397-R399 PolarHBondContact O-N 2.92Å; E397-L400 WeakPolarHBondContact O-CB 3.15Å; E397-L400 PolarHBondContact O-N 3.25Å; E397-L401 HydrophobicContact CG-CD1 4.3Å; E397-L401 PolarHBondContact O-N 2.95Å
398	R	91.6	Very high	92	Very high	122 Å²	122	65.8 Å²	65.8	46%	0.46	30%	0.297	S	S	.	.	H	α-helix	trans	-59.3	-37	176.8	-74.4	-172.1	-64.1	176.5	-3.8	112.5	E394 R402	E394-R398 WeakPolarHBondContact O-CB 3.41Å; E394-R398 WeakPolarHBondContact O-CG 3.28Å; E394-R398 PolarHBondContact O-N 3.07Å; E394-R398 IonicContact OE1-CZ 3.75Å; E394-R398 IonicContact OE1-NE 3.69Å; R398-R402 WeakPolarHBondContact O-CB 3.3Å; R398-R402 VanDerWaalsContact O-CG 3.23Å; R398-R402 WeakPolarHBondContact O-CG 3.25Å; R398-R402 PolarHBondContact O-N 3.29Å
399	R	89.8	Confident	91.9	Very high	100 Å²	100	69.7 Å²	69.7	38%	0.377	31%	0.314	S	S	.	.	H	α-helix	trans	-67.5	-43.3	173.7	-178.8	-177.8	172.3	168.5	-3.7	111.1	P395 V396 E397 L401 R402 D403 W406 L524	P395-R399 PolarHBondContact O-N 2.63Å; V396-R399 PolarHBondContact O-N 3.2Å; E397-R399 VanDerWaalsContact C-N 3.26Å; E397-R399 PolarHBondContact O-N 2.92Å; R399-L401 VanDerWaalsContact C-N 3.29Å; R399-L401 PolarHBondContact O-N 3.36Å; R399-R402 PolarHBondContact O-N 2.8Å; R399-R402 VanDerWaalsContact O-N 3.16Å; R399-D403 WeakPolarHBondContact O-CB 3.25Å; R399-D403 PolarHBondContact O-N 3.25Å; R399-W406 HydrophobicContact CB-CZ3 4.13Å; R399-W406 HydrophobicContact CG-CE3 4.08Å; R399-W406 HydrophobicContact CG-CZ3 3.89Å; R399-L524 HydrophobicContact CB-CD1 3.95Å
400	L	91.3	Very high	91.8	Very high	1 Å²	1	69.7 Å²	69.7	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-58.9	-42.3	179.9	-174.7	65.7	0	0	0	111.2	Y360 V396 E397 W406 L407 I410 V487	Y360-L400 HydrophobicContact CE1-CD2 3.97Å; Y360-L400 HydrophobicContact CE1-CG 4.32Å; V396-L400 WeakPolarHBondContact O-CB 3.34Å; V396-L400 PolarHBondContact O-N 2.83Å; E397-L400 WeakPolarHBondContact O-CB 3.15Å; E397-L400 PolarHBondContact O-N 3.25Å; L400-W406 VanDerWaalsContact CA-CZ3 3.47Å; L400-W406 HydrophobicContact CB-CE3 4.09Å; L400-W406 HydrophobicContact CB-CH2 4.28Å; L400-W406 HydrophobicContact CB-CZ3 3.65Å; L400-W406 HydrophobicContact CD1-CD2 3.91Å; L400-W406 HydrophobicContact CD1-CE3 3.7Å; L400-W406 HydrophobicContact CD1-CH2 4.14Å; L400-W406 HydrophobicContact CD1-CZ2 4.35Å; L400-W406 HydrophobicContact CD1-CZ3 3.83Å; L400-W406 HydrophobicContact CG-CZ3 4.36Å; L400-L407 HydrophobicContact CD1-CB 4.08Å; L400-L407 HydrophobicContact CD1-CD1 4.02Å; L400-L407 HydrophobicContact CD2-CD1 4.33Å; L400-L407 HydrophobicContact CG-CB 4.49Å; L400-L407 HydrophobicContact CG-CD1 4Å; L400-I410 HydrophobicContact CD1-CB 4.47Å; L400-I410 HydrophobicContact CD1-CG1 4.09Å; L400-V487 HydrophobicContact CD1-CG2 4.48Å; L400-V487 HydrophobicContact CD2-CG2 4.29Å
401	L	90.1	Very high	91.9	Very high	80 Å²	80	65.3 Å²	65.3	42%	0.419	29%	0.291	S	S	.	.	H	α-helix	trans	-70.3	-31.3	177.1	-70.4	169.7	0	0	0	113.7	Y360 E397 R399	Y360-L401 HydrophobicContact CD1-CD2 4.01Å; Y360-L401 HydrophobicContact CE1-CD2 3.35Å; Y360-L401 HydrophobicContact CE1-CG 3.97Å; E397-L401 HydrophobicContact CG-CD1 4.3Å; E397-L401 PolarHBondContact O-N 2.95Å; R399-L401 VanDerWaalsContact C-N 3.29Å; R399-L401 PolarHBondContact O-N 3.36Å
402	R	91.8	Very high	92	Very high	200 Å²	200	64.7 Å²	64.7	76%	0.755	29%	0.29	S	S	*	.	H	α-helix	trans	-78.4	-39.4	178.6	-73.8	174.1	-175.5	-172.7	1.7	112.5	R398 R399 R404	R398-R402 WeakPolarHBondContact O-CB 3.3Å; R398-R402 VanDerWaalsContact O-CG 3.23Å; R398-R402 WeakPolarHBondContact O-CG 3.25Å; R398-R402 PolarHBondContact O-N 3.29Å; R399-R402 PolarHBondContact O-N 2.8Å; R399-R402 VanDerWaalsContact O-N 3.16Å; R402-R404 PolarHBondContact O-N 2.87Å
403	D	92.8	Very high	92.1	Very high	57 Å²	57	64.2 Å²	64.2	31%	0.305	29%	0.288	S	S	.	.			trans	-93.3	89.1	-176.6	-170.7	-16.9	0	0	0	110.9	R399 I405 W406 L407	R399-D403 WeakPolarHBondContact O-CB 3.25Å; R399-D403 PolarHBondContact O-N 3.25Å; D403-I405 VanDerWaalsContact C-N 3.27Å; D403-I405 PolarHBondContact O-N 3.37Å; D403-I405 PolarHBondContact OD1-N 3.3Å; D403-W406 HydrophobicContact CB-CB 3.92Å; D403-W406 VanDerWaalsContact CG-CB 3.4Å; D403-W406 PolarHBondContact O-N 3.37Å; D403-W406 PolarHBondContact OD1-N 2.95Å; D403-L407 PolarHBondContact O-N 2.97Å
404	R	92.1	Very high	92.3	Very high	171 Å²	171	62.5 Å²	62.5	65%	0.645	28%	0.276	S	S	*	.	H	α-helix	trans	-61.5	-33.5	-179.2	-68.8	-173.6	176.9	-179.1	-1.6	113.4	I364 R402 L407 E408	I364-R404 HydrophobicContact CD1-CB 4.24Å; I364-R404 WeakPolarHBondContact CD1-O 3.4Å; R402-R404 PolarHBondContact O-N 2.87Å; R404-L407 PolarHBondContact O-N 3.34Å; R404-E408 WeakPolarHBondContact O-CB 3.19Å; R404-E408 PolarHBondContact O-N 3.19Å
405	I	92.3	Very high	92.5	Very high	117 Å²	117	56.7 Å²	56.7	60%	0.6	25%	0.249	S	C	*	.	H	α-helix	trans	-67.5	-45.4	179.5	-62.4	171.1	0	0	0	108.8	D403 E408 Q409	D403-I405 VanDerWaalsContact C-N 3.27Å; D403-I405 PolarHBondContact O-N 3.37Å; D403-I405 PolarHBondContact OD1-N 3.3Å; I405-E408 PolarHBondContact O-N 2.8Å; I405-Q409 WeakPolarHBondContact O-CG 3.48Å; I405-Q409 PolarHBondContact O-N 3.33Å
406	W	91.4	Very high	92.8	Very high	29 Å²	29	54.3 Å²	54.3	11%	0.11	23%	0.234	C	C	.	.	H	α-helix	trans	-63.4	-45.6	176.2	-176.4	38.6	0	0	0	111.8	V396 R399 L400 D403 E408 Q409 I410 V487	V396-W406 HydrophobicContact CG1-CH2 3.89Å; R399-W406 HydrophobicContact CB-CZ3 4.13Å; R399-W406 HydrophobicContact CG-CE3 4.08Å; R399-W406 HydrophobicContact CG-CZ3 3.89Å; L400-W406 VanDerWaalsContact CA-CZ3 3.47Å; L400-W406 HydrophobicContact CB-CE3 4.09Å; L400-W406 HydrophobicContact CB-CH2 4.28Å; L400-W406 HydrophobicContact CB-CZ3 3.65Å; L400-W406 HydrophobicContact CD1-CD2 3.91Å; L400-W406 HydrophobicContact CD1-CE3 3.7Å; L400-W406 HydrophobicContact CD1-CH2 4.14Å; L400-W406 HydrophobicContact CD1-CZ2 4.35Å; L400-W406 HydrophobicContact CD1-CZ3 3.83Å; L400-W406 HydrophobicContact CG-CZ3 4.36Å; D403-W406 HydrophobicContact CB-CB 3.92Å; D403-W406 VanDerWaalsContact CG-CB 3.4Å; D403-W406 PolarHBondContact O-N 3.37Å; D403-W406 PolarHBondContact OD1-N 2.95Å; W406-E408 VanDerWaalsContact C-N 3.34Å; W406-E408 PolarHBondContact O-N 2.94Å; W406-Q409 WeakPolarHBondContact O-CB 3.33Å; W406-Q409 PolarHBondContact O-N 3.19Å; W406-I410 WeakPolarHBondContact O-CG1 3.4Å; W406-I410 PolarHBondContact O-N 2.94Å; W406-V487 HydrophobicContact CZ2-CG2 4.41Å
407	L	93.8	Very high	92.9	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.016	25%	0.246	C	C	.	.	H	α-helix	trans	-59.2	-42.6	176.7	174.4	60.1	0	0	0	112.5	Y360 T363 I364 L400 D403 R404 I410 L411	Y360-L407 HydrophobicContact CD1-CD1 3.51Å; Y360-L407 HydrophobicContact CD1-CD2 3.85Å; Y360-L407 HydrophobicContact CD1-CG 4.35Å; Y360-L407 HydrophobicContact CE1-CD1 4.23Å; Y360-L407 HydrophobicContact CG-CD1 4.29Å; T363-L407 HydrophobicContact CG2-CD2 4.3Å; I364-L407 HydrophobicContact CD1-CB 4.04Å; I364-L407 HydrophobicContact CD1-CD2 3.71Å; I364-L407 HydrophobicContact CD1-CG 3.79Å; I364-L407 HydrophobicContact CG1-CB 4.43Å; I364-L407 HydrophobicContact CG1-CD2 3.69Å; I364-L407 HydrophobicContact CG1-CG 3.68Å; L400-L407 HydrophobicContact CD1-CB 4.08Å; L400-L407 HydrophobicContact CD1-CD1 4.02Å; L400-L407 HydrophobicContact CD2-CD1 4.33Å; L400-L407 HydrophobicContact CG-CB 4.49Å; L400-L407 HydrophobicContact CG-CD1 4Å; D403-L407 PolarHBondContact O-N 2.97Å; R404-L407 PolarHBondContact O-N 3.34Å; L407-I410 PolarHBondContact O-N 2.98Å; L407-L411 HydrophobicContact CD1-CD1 4.32Å; L407-L411 HydrophobicContact CD1-CG 4.14Å; L407-L411 HydrophobicContact CG-CD1 4.42Å; L407-L411 WeakPolarHBondContact O-CG 3.49Å; L407-L411 PolarHBondContact O-N 3.43Å
408	E	93.4	Very high	92.8	Very high	54 Å²	54	58.7 Å²	58.7	25%	0.252	27%	0.27	S	S	.	.	H	α-helix	trans	-61	-45	175.6	-174.2	-173.1	140.2	0	0	112	I364 T367 R404 I405 W406 I410 L411 K412	I364-E408 HydrophobicContact CD1-CB 4.25Å; I364-E408 HydrophobicContact CG2-CB 4.22Å; I364-E408 HydrophobicContact CG2-CG 4.11Å; T367-E408 HydrophobicContact CG2-CG 4.21Å; T367-E408 WeakPolarHBondContact CG2-OE1 3.4Å; R404-E408 WeakPolarHBondContact O-CB 3.19Å; R404-E408 PolarHBondContact O-N 3.19Å; I405-E408 PolarHBondContact O-N 2.8Å; W406-E408 VanDerWaalsContact C-N 3.34Å; W406-E408 PolarHBondContact O-N 2.94Å; E408-I410 VanDerWaalsContact C-N 3.32Å; E408-I410 PolarHBondContact O-N 3.4Å; E408-L411 PolarHBondContact O-N 3.05Å; E408-K412 HydrophobicContact CG-CD 4.24Å; E408-K412 WeakPolarHBondContact O-CB 3.49Å; E408-K412 WeakPolarHBondContact O-CG 3.47Å; E408-K412 PolarHBondContact O-N 2.83Å; E408-K412 VanDerWaalsContact OE1-CE 3.32Å; E408-K412 WeakPolarHBondContact OE1-CE 3.49Å; E408-K412 IonicContact OE1-NZ 3.32Å; E408-K412 PolarHBondContact OE1-NZ 2.85Å
409	Q	92.2	Very high	92.6	Very high	82 Å²	82	56.9 Å²	56.9	38%	0.383	27%	0.266	S	S	.	.	H	α-helix	trans	-60.2	-42.9	175.8	-71.6	173.7	-1.9	0	0	111.5	I405 W406 K412 L413	I405-Q409 WeakPolarHBondContact O-CG 3.48Å; I405-Q409 PolarHBondContact O-N 3.33Å; W406-Q409 WeakPolarHBondContact O-CB 3.33Å; W406-Q409 PolarHBondContact O-N 3.19Å; Q409-K412 PolarHBondContact O-N 2.89Å; Q409-L413 PolarHBondContact O-N 3.3Å
410	I	94	Very high	92.6	Very high	8 Å²	8	54.3 Å²	54.3	4%	0.041	26%	0.26	C	S	.	.	H	α-helix	trans	-62	-47.2	176.1	-68.3	-59.2	0	0	0	110.7	L400 W406 L407 E408 K412 L413 H414 V484 G486 V487	L400-I410 HydrophobicContact CD1-CB 4.47Å; L400-I410 HydrophobicContact CD1-CG1 4.09Å; W406-I410 WeakPolarHBondContact O-CG1 3.4Å; W406-I410 PolarHBondContact O-N 2.94Å; L407-I410 PolarHBondContact O-N 2.98Å; E408-I410 VanDerWaalsContact C-N 3.32Å; E408-I410 PolarHBondContact O-N 3.4Å; I410-K412 VanDerWaalsContact C-N 3.33Å; I410-K412 PolarHBondContact O-N 3.07Å; I410-L413 WeakPolarHBondContact O-CB 3.45Å; I410-L413 PolarHBondContact O-N 3.22Å; I410-H414 PolarHBondContact O-CE1 3.01Å; I410-H414 PolarHBondContact O-ND1 2.81Å; I410-V484 HydrophobicContact CG2-CG1 3.82Å; I410-G486 WeakPolarHBondContact CD1-O 3.37Å; I410-V487 HydrophobicContact CD1-CG2 3.87Å; I410-V487 HydrophobicContact CG1-CG2 3.97Å; I410-V487 HydrophobicContact CG2-CG2 3.77Å
411	L	95	Very high	92.6	Very high	6 Å²	6	54.5 Å²	54.5	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-64.1	-37.8	178.6	-69.6	179	0	0	0	112.3	L357 I361 I364 V368 L407 E408 L413 H414	L357-L411 HydrophobicContact CD1-CD2 4.03Å; I361-L411 HydrophobicContact CG1-CD1 4.33Å; I361-L411 HydrophobicContact CG1-CD2 4.41Å; I364-L411 HydrophobicContact CB-CD1 4.21Å; I364-L411 HydrophobicContact CG1-CD1 3.85Å; V368-L411 HydrophobicContact CG1-CB 4.06Å; V368-L411 HydrophobicContact CG2-CB 3.82Å; V368-L411 HydrophobicContact CG2-CD1 4.17Å; L407-L411 HydrophobicContact CD1-CD1 4.32Å; L407-L411 HydrophobicContact CD1-CG 4.14Å; L407-L411 HydrophobicContact CG-CD1 4.42Å; L407-L411 WeakPolarHBondContact O-CG 3.49Å; L407-L411 PolarHBondContact O-N 3.43Å; E408-L411 PolarHBondContact O-N 3.05Å; L411-L413 VanDerWaalsContact C-N 3.34Å; L411-L413 PolarHBondContact O-N 2.89Å; L411-H414 PolarHBondContact O-N 2.76Å
412	K	94.3	Very high	92.7	Very high	43 Å²	43	50.7 Å²	50.7	19%	0.187	24%	0.241	C	C	.	.	H	α-helix	trans	-65.9	-33	175.4	-77.2	175.8	170.3	173.4	0	113.4	E408 Q409 I410 H414 I415 V435	E408-K412 HydrophobicContact CG-CD 4.24Å; E408-K412 WeakPolarHBondContact O-CB 3.49Å; E408-K412 WeakPolarHBondContact O-CG 3.47Å; E408-K412 PolarHBondContact O-N 2.83Å; E408-K412 VanDerWaalsContact OE1-CE 3.32Å; E408-K412 WeakPolarHBondContact OE1-CE 3.49Å; E408-K412 IonicContact OE1-NZ 3.32Å; E408-K412 PolarHBondContact OE1-NZ 2.85Å; Q409-K412 PolarHBondContact O-N 2.89Å; I410-K412 VanDerWaalsContact C-N 3.33Å; I410-K412 PolarHBondContact O-N 3.07Å; K412-H414 PolarHBondContact O-N 2.83Å; K412-I415 PolarHBondContact O-N 3.41Å; K412-I415 VanDerWaalsContact O-N 3.09Å; K412-V435 HydrophobicContact CB-CB 4.49Å; K412-V435 HydrophobicContact CG-CG1 4.44Å
413	L	94.7	Very high	92.6	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-59.7	-24.9	174.7	174.8	60.9	0	0	0	112.5	Q409 I410 L411 I415 T434 Q439 L441 L485	Q409-L413 PolarHBondContact O-N 3.3Å; I410-L413 WeakPolarHBondContact O-CB 3.45Å; I410-L413 PolarHBondContact O-N 3.22Å; L411-L413 VanDerWaalsContact C-N 3.34Å; L411-L413 PolarHBondContact O-N 2.89Å; L413-I415 VanDerWaalsContact C-N 3.33Å; L413-T434 HydrophobicContact CD1-CG2 3.92Å; L413-T434 WeakPolarHBondContact O-CG2 3.36Å; L413-Q439 HydrophobicContact CD1-CB 3.75Å; L413-Q439 HydrophobicContact CD1-CG 4.37Å; L413-L441 HydrophobicContact CD1-CD2 3.83Å; L413-L441 HydrophobicContact CG-CD2 4.47Å; L413-L485 HydrophobicContact CD2-CB 3.83Å; L413-L485 HydrophobicContact CG-CB 4.02Å
414	H	96.3	Very high	92.3	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.009	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-3.3	179.5	-66.7	81.8	0	0	0	113.8	F381 F382 P384 I410 L411 K412 L485	F381-H414 HydrophobicContact CD2-CB 4.18Å; F381-H414 WeakPolarHBondContact CD2-O 3.46Å; F381-H414 HydrophobicContact CE2-CB 3.74Å; F382-H414 PolarHBondContact N-O 3.4Å; F382-H414 WeakPolarHBondContact O-CB 3.42Å; F382-H414 PolarHBondContact O-CD2 3.22Å; P384-H414 WeakPolarHBondContact CG-NE2 3.41Å; I410-H414 PolarHBondContact O-CE1 3.01Å; I410-H414 PolarHBondContact O-ND1 2.81Å; L411-H414 PolarHBondContact O-N 2.76Å; K412-H414 PolarHBondContact O-N 2.83Å; H414-L485 PolarHBondContact CE1-N 2.82Å; H414-L485 VanDerWaalsContact CE1-N 3.3Å; H414-L485 PolarHBondContact CE1-O 3.1Å; H414-L485 WeakPolarHBondContact NE2-CB 3.13Å; H414-L485 PolarHBondContact NE2-N 2.81Å
415	I	95.4	Very high	92.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.6	-175.6	-56.9	169.7	0	0	0	109.8	V368 Y371 F372 V379 F381 K412 L413 T434 V435	V368-I415 HydrophobicContact CG1-CD1 3.7Å; Y371-I415 HydrophobicContact CD2-CD1 4.21Å; Y371-I415 HydrophobicContact CG-CD1 4.41Å; F372-I415 HydrophobicContact CE1-CD1 3.79Å; F372-I415 HydrophobicContact CE1-CG1 3.99Å; F372-I415 HydrophobicContact CZ-CD1 3.69Å; F372-I415 HydrophobicContact CZ-CG1 4.06Å; V379-I415 HydrophobicContact CB-CG2 4.26Å; V379-I415 HydrophobicContact CG1-CG2 4.44Å; F381-I415 HydrophobicContact CD2-CG1 3.66Å; F381-I415 HydrophobicContact CE2-CG1 4.03Å; K412-I415 PolarHBondContact O-N 3.41Å; K412-I415 VanDerWaalsContact O-N 3.09Å; L413-I415 VanDerWaalsContact C-N 3.33Å; I415-T434 VanDerWaalsContact O-CA 3.31Å; I415-T434 WeakPolarHBondContact O-CA 3.44Å; I415-V435 HydrophobicContact CB-CG2 3.6Å; I415-V435 HydrophobicContact CG2-CG2 3.41Å; I415-V435 VanDerWaalsContact CG2-CG2 3.41Å; I415-V435 PolarHBondContact O-N 3.41Å; I415-V435 VanDerWaalsContact O-N 3.16Å
416	V	94.5	Very high	91.8	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.024	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	111.7	166.7	178.1	0	0	0	0	108	V379 T380 F382 K419 A432 L441	V379-V416 WeakPolarHBondContact CA-O 3.37Å; T380-V416 PolarHBondContact N-O 3.31Å; T380-V416 PolarHBondContact O-N 3.03Å; F382-V416 HydrophobicContact CE2-CG2 3.93Å; V416-K419 HydrophobicContact CG1-CB 4.15Å; V416-A432 HydrophobicContact CG1-CB 3.92Å; V416-A432 HydrophobicContact CG2-CB 3.88Å; V416-L441 HydrophobicContact CG2-CD1 3.7Å
417	P	92.6	Very high	91.5	Very high	39 Å²	39	38 Å²	38	25%	0.253	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	157.3	-178.3	33.2	-36.7	0	0	0	112.3	K419 F433 V435	P417-K419 PolarHBondContact O-N 3.47Å; P417-F433 WeakPolarHBondContact CD-O 3.45Å; P417-V435 HydrophobicContact CB-CG2 4.28Å; P417-V435 HydrophobicContact CG-CG2 4.27Å
418	S	89.3	Confident	91	Very high	114 Å²	114	42.6 Å²	42.6	80%	0.797	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	23.1	171.2	-55.8	0	0	0	0	115.6	L378	L378-S418 CarbonylContact O-C 3.47Å; L378-S418 WeakPolarHBondContact O-CA 3.22Å; L378-S418 PolarHBondContact O-N 3.37Å
419	K	87.9	Confident	90.2	Very high	83 Å²	83	47.3 Å²	47.3	36%	0.361	24%	0.242	S	C	.	.			trans	-149.4	135.8	-177.6	-167.1	173.8	-176.7	-180	0	110.7	L378 V379 T380 V416 P417 L421	L378-K419 PolarHBondContact O-N 3.12Å; V379-K419 CarbonylContact C-O 3.57Å; V379-K419 VanDerWaalsContact C-O 3.26Å; T380-K419 PolarHBondContact N-O 3.42Å; T380-K419 PolarHBondContact OG1-O 3.08Å; V416-K419 HydrophobicContact CG1-CB 4.15Å; P417-K419 PolarHBondContact O-N 3.47Å; K419-L421 HydrophobicContact CD-CB 4.49Å; K419-L421 HydrophobicContact CG-CB 4.41Å
420	D	89	Confident	90.1	Very high	47 Å²	47	45 Å²	45	25%	0.251	23%	0.233	S	C	.	.			trans	-104.5	69.6	171.5	61.2	-27.4	0	0	0	109.8	T422 I477	D420-T422 PolarHBondContact O-N 2.94Å; D420-I477 HydrophobicContact CB-CD1 3.8Å; D420-I477 HydrophobicContact CB-CG1 4.01Å
421	L	91.3	Very high	89.9	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.021	25%	0.25	C	C	.	.			trans	-69	118.9	-178.9	-175.2	74.3	0	0	0	109.8	T380 F382 K419 Q425 I426 F443 H479	T380-L421 HydrophobicContact CG2-CB 4.15Å; T380-L421 PolarHBondContact OG1-N 3.05Å; F382-L421 HydrophobicContact CZ-CD2 4.41Å; K419-L421 HydrophobicContact CD-CB 4.49Å; K419-L421 HydrophobicContact CG-CB 4.41Å; L421-Q425 HydrophobicContact CD1-CB 3.79Å; L421-I426 HydrophobicContact CD1-CG1 4.36Å; L421-I426 HydrophobicContact CD2-CD1 4.31Å; L421-I426 HydrophobicContact CD2-CG1 4.07Å; L421-I426 HydrophobicContact CG-CD1 4.48Å; L421-I426 HydrophobicContact CG-CG1 4.09Å; L421-F443 HydrophobicContact CD2-CD2 4.22Å; L421-F443 HydrophobicContact CD2-CE1 3.95Å; L421-F443 HydrophobicContact CD2-CE2 3.52Å; L421-F443 HydrophobicContact CD2-CZ 3.37Å; L421-H479 PolarHBondContact O-NE2 2.9Å
422	T	92.1	Very high	89.7	Confident	1 Å²	1	48.2 Å²	48.2	1%	0.006	25%	0.25	C	S	.	.			trans	-109.6	161.4	178.9	28.4	0	0	0	0	110.4	R311 D420 D424 Q425 I426 D470 I477	R311-T422 HydrophobicContact CG-CG2 4.08Å; R311-T422 PolarHBondContact NE-OG1 3.39Å; R311-T422 PolarHBondContact NH1-OG1 2.77Å; R311-T422 PolarHBondContact NH2-OG1 3.06Å; D420-T422 PolarHBondContact O-N 2.94Å; T422-D424 WeakPolarHBondContact CB-OD1 3.35Å; T422-D424 PolarHBondContact O-N 3.34Å; T422-D424 PolarHBondContact OG1-OD1 3.43Å; T422-Q425 PolarHBondContact O-N 3.45Å; T422-I426 PolarHBondContact O-N 2.87Å; T422-D470 WeakPolarHBondContact CA-OD1 3.15Å; T422-D470 WeakPolarHBondContact CB-OD1 3.34Å; T422-D470 WeakPolarHBondContact CG2-OD1 3.38Å; T422-I477 HydrophobicContact CG2-CD1 3.27Å
423	T	90	Very high	89.6	Confident	10 Å²	10	51.7 Å²	51.7	6%	0.061	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.2	-176.2	60	0	0	0	0	114.8	Q425 I426 Y455 E469 D470	T423-Q425 VanDerWaalsContact C-N 3.29Å; T423-Q425 PolarHBondContact O-N 3.11Å; T423-I426 PolarHBondContact O-N 3.32Å; T423-Y455 HydrophobicContact CG2-CD2 3.8Å; T423-Y455 HydrophobicContact CG2-CE2 3.89Å; T423-Y455 HydrophobicContact CG2-CG 4.14Å; T423-Y455 VanDerWaalsContact O-CE1 3.31Å; T423-Y455 WeakPolarHBondContact O-CE1 3.39Å; T423-Y455 PolarHBondContact O-OH 3.2Å; T423-E469 HydrophobicContact CG2-CB 3.58Å; T423-E469 HydrophobicContact CG2-CG 3.88Å; T423-D470 WeakPolarHBondContact CB-OD2 3.3Å; T423-D470 WeakPolarHBondContact CG2-OD2 3.21Å; T423-D470 PolarHBondContact N-OD1 2.74Å; T423-D470 PolarHBondContact N-OD2 3.43Å; T423-D470 PolarHBondContact OG1-OD2 2.91Å
424	D	87.5	Confident	89.5	Confident	75 Å²	75	51.7 Å²	51.7	40%	0.401	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-25.8	174.7	67.4	-51	0	0	0	112.8	R311 T422	R311-D424 IonicContact CZ-OD1 2.72Å; R311-D424 IonicContact CZ-OD2 3.67Å; R311-D424 IonicContact NH2-OD1 2.59Å; R311-D424 PolarHBondContact NH2-OD1 3.22Å; R311-D424 IonicContact NH2-OD2 2.7Å; R311-D424 PolarHBondContact NH2-OD2 3.33Å; T422-D424 WeakPolarHBondContact CB-OD1 3.35Å; T422-D424 PolarHBondContact O-N 3.34Å; T422-D424 PolarHBondContact OG1-OD1 3.43Å
425	Q	87.1	Confident	89.1	Confident	71 Å²	71	52.8 Å²	52.8	33%	0.332	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-18.2	174.6	-57.6	-169.7	-39.3	0	0	112.9	R311 L421 T422 T423 K427	R311-Q425 VanDerWaalsContact NH2-CD 3.3Å; L421-Q425 HydrophobicContact CD1-CB 3.79Å; T422-Q425 PolarHBondContact O-N 3.45Å; T423-Q425 VanDerWaalsContact C-N 3.29Å; T423-Q425 PolarHBondContact O-N 3.11Å; Q425-K427 PolarHBondContact O-N 3.49Å
426	I	86.9	Confident	88.6	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.015	28%	0.283	C	S	.	.			trans	-77.2	105.2	-180	-65.5	174.1	0	0	0	108.8	L421 T422 T423 F443 Y455 I466	L421-I426 HydrophobicContact CD1-CG1 4.36Å; L421-I426 HydrophobicContact CD2-CD1 4.31Å; L421-I426 HydrophobicContact CD2-CG1 4.07Å; L421-I426 HydrophobicContact CG-CD1 4.48Å; L421-I426 HydrophobicContact CG-CG1 4.09Å; T422-I426 PolarHBondContact O-N 2.87Å; T423-I426 PolarHBondContact O-N 3.32Å; I426-F443 HydrophobicContact CD1-CD1 3.88Å; I426-F443 HydrophobicContact CD1-CE1 4.25Å; I426-F443 HydrophobicContact CD1-CG 4.39Å; I426-F443 HydrophobicContact CG1-CD1 4.27Å; I426-F443 HydrophobicContact CG1-CG 4.29Å; I426-F443 HydrophobicContact CG2-CB 3.4Å; I426-F443 VanDerWaalsContact CG2-CB 3.4Å; I426-F443 HydrophobicContact CG2-CD1 4.37Å; I426-F443 HydrophobicContact CG2-CG 4.04Å; I426-Y455 HydrophobicContact CB-CD1 4.02Å; I426-Y455 HydrophobicContact CB-CE1 4.16Å; I426-Y455 HydrophobicContact CG2-CD1 3.73Å; I426-Y455 HydrophobicContact CG2-CE1 4.21Å; I426-I466 HydrophobicContact CD1-CD1 4.37Å
427	K	85.3	Confident	87.8	Confident	147 Å²	147	60.1 Å²	60.1	64%	0.639	31%	0.311	S	S	*	.			trans	-105.9	166	167.4	-56.8	179.8	-179.1	179.5	0	109.2	Q425 E429 T430	Q425-K427 PolarHBondContact O-N 3.49Å; K427-E429 PolarHBondContact O-N 3.41Å; K427-T430 HydrophobicContact CB-CG2 3.78Å; K427-T430 HydrophobicContact CG-CG2 4.49Å; K427-T430 VanDerWaalsContact N-CG2 3.27Å; K427-T430 WeakPolarHBondContact O-CB 3.17Å; K427-T430 WeakPolarHBondContact O-CG2 3.24Å; K427-T430 PolarHBondContact O-N 3.14Å; K427-T430 VanDerWaalsContact O-N 3.15Å; K427-T430 PolarHBondContact O-OG1 2.98Å
428	N	82.6	Confident	87	Confident	101 Å²	101	64.1 Å²	64.1	54%	0.54	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	136	167.1	-70.9	-14.5	0	0	0	109	T430 R445	N428-T430 PolarHBondContact O-N 3.41Å; N428-R445 PolarHBondContact OD1-N 2.97Å; N428-R445 PolarHBondContact OD1-O 3.19Å
429	E	77.4	Confident	86.7	Confident	153 Å²	153	60.2 Å²	60.2	72%	0.715	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	8.5	-179.8	-48.9	177.6	172.7	0	0	115.9	K427 I431 F443	K427-E429 PolarHBondContact O-N 3.41Å; E429-I431 PolarHBondContact O-N 3.42Å; E429-F443 PolarHBondContact N-O 3.26Å
430	T	89.2	Confident	86.8	Confident	32 Å²	32	58.4 Å²	58.4	20%	0.196	29%	0.292	C	S	.	.			trans	-61.5	138.8	168.8	52.6	0	0	0	0	110.6	K427 N428 R442 F443	K427-T430 HydrophobicContact CB-CG2 3.78Å; K427-T430 HydrophobicContact CG-CG2 4.49Å; K427-T430 VanDerWaalsContact N-CG2 3.27Å; K427-T430 WeakPolarHBondContact O-CB 3.17Å; K427-T430 WeakPolarHBondContact O-CG2 3.24Å; K427-T430 PolarHBondContact O-N 3.14Å; K427-T430 VanDerWaalsContact O-N 3.15Å; K427-T430 PolarHBondContact O-OG1 2.98Å; N428-T430 PolarHBondContact O-N 3.41Å; T430-R442 WeakPolarHBondContact O-CA 3.49Å; T430-F443 WeakPolarHBondContact O-CD2 3.25Å; T430-F443 PolarHBondContact O-N 2.81Å; T430-F443 WeakPolarHBondContact OG1-CB 3.42Å
431	I	89.6	Confident	87	Confident	78 Å²	78	56.2 Å²	56.2	40%	0.4	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	145.7	179.3	60.7	173.8	0	0	0	110.2	E429 L441 R442	E429-I431 PolarHBondContact O-N 3.42Å; I431-L441 CarbonylContact C-O 3.45Å; I431-L441 VanDerWaalsContact CA-O 3.31Å; I431-L441 WeakPolarHBondContact CA-O 3.25Å; I431-R442 HydrophobicContact CG2-CG 4.14Å
432	A	91.9	Very high	87	Confident	5 Å²	5	57.8 Å²	57.8	4%	0.041	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	141.6	171.6	0	0	0	0	0	109.9	V416 Q440 L441 F443	V416-A432 HydrophobicContact CG1-CB 3.92Å; V416-A432 HydrophobicContact CG2-CB 3.88Å; A432-Q440 CarbonylContact O-C 3.4Å; A432-Q440 VanDerWaalsContact O-CA 3.31Å; A432-Q440 WeakPolarHBondContact O-CA 3.49Å; A432-L441 PolarHBondContact N-O 3.24Å; A432-L441 PolarHBondContact O-N 3.32Å; A432-F443 HydrophobicContact CB-CE2 3.87Å; A432-F443 HydrophobicContact CB-CZ 4.38Å
433	F	91.8	Very high	87	Confident	116 Å²	116	57.8 Å²	57.8	51%	0.509	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	141	175.9	-65.1	-79.1	0	0	0	110.2	P417	P417-F433 WeakPolarHBondContact CD-O 3.45Å
434	T	92.1	Very high	87	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.299	C	S	.	.			trans	-84.2	170.3	175.5	50.1	0	0	0	0	111.4	L413 I415 D436 N437 Q439 L441	L413-T434 HydrophobicContact CD1-CG2 3.92Å; L413-T434 WeakPolarHBondContact O-CG2 3.36Å; I415-T434 VanDerWaalsContact O-CA 3.31Å; I415-T434 WeakPolarHBondContact O-CA 3.44Å; T434-D436 PolarHBondContact O-N 2.93Å; T434-D436 VanDerWaalsContact O-N 3.13Å; T434-D436 PolarHBondContact OG1-OD1 2.81Å; T434-N437 PolarHBondContact O-N 3.24Å; T434-N437 PolarHBondContact O-OD1 2.8Å; T434-Q439 PolarHBondContact N-O 3.02Å; T434-Q439 PolarHBondContact OG1-O 2.92Å; T434-L441 HydrophobicContact CG2-CD1 4.23Å; T434-L441 HydrophobicContact CG2-CD2 4.11Å; T434-L441 HydrophobicContact CG2-CG 3.75Å
435	V	88.4	Confident	87.1	Confident	25 Å²	25	61.8 Å²	61.8	15%	0.152	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-37.9	-178	168.2	0	0	0	0	114.1	Y371 K412 I415 P417 N437	Y371-V435 HydrophobicContact CE1-CG1 4.2Å; Y371-V435 HydrophobicContact CE1-CG2 4.14Å; Y371-V435 HydrophobicContact CE2-CG1 4.02Å; Y371-V435 WeakPolarHBondContact OH-CG1 3.48Å; K412-V435 HydrophobicContact CB-CB 4.49Å; K412-V435 HydrophobicContact CG-CG1 4.44Å; I415-V435 HydrophobicContact CB-CG2 3.6Å; I415-V435 HydrophobicContact CG2-CG2 3.41Å; I415-V435 VanDerWaalsContact CG2-CG2 3.41Å; I415-V435 PolarHBondContact O-N 3.41Å; I415-V435 VanDerWaalsContact O-N 3.16Å; P417-V435 HydrophobicContact CB-CG2 4.28Å; P417-V435 HydrophobicContact CG-CG2 4.27Å; V435-N437 VanDerWaalsContact C-N 3.3Å
436	D	83.3	Confident	86.9	Confident	41 Å²	41	59.3 Å²	59.3	22%	0.219	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-9.7	-179.7	63.1	0.2	0	0	0	113.8	T434 L438	T434-D436 PolarHBondContact O-N 2.93Å; T434-D436 VanDerWaalsContact O-N 3.13Å; T434-D436 PolarHBondContact OG1-OD1 2.81Å; D436-L438 HydrophobicContact CB-CB 4.38Å; D436-L438 HydrophobicContact CB-CD1 4.22Å; D436-L438 HydrophobicContact CB-CG 4.08Å; D436-L438 PolarHBondContact O-N 3.06Å; D436-L438 PolarHBondContact OD1-N 3.38Å; D436-L438 VanDerWaalsContact OD1-N 3.1Å
437	N	79.3	Confident	86.4	Confident	117 Å²	117	65.2 Å²	65.2	63%	0.626	32%	0.319	S	S	*	.	S	Bend	trans	52.8	9.6	-169.7	-67.2	-41.5	0	0	0	114.9	T434 V435	T434-N437 PolarHBondContact O-N 3.24Å; T434-N437 PolarHBondContact O-OD1 2.8Å; V435-N437 VanDerWaalsContact C-N 3.3Å
438	L	75.5	Confident	85.4	Confident	123 Å²	123	66.8 Å²	66.8	64%	0.644	32%	0.321	S	S	*	.	S	Bend	trans	-85.3	-31.3	178.9	-61.9	177.7	0	0	0	110.7	D436	D436-L438 HydrophobicContact CB-CB 4.38Å; D436-L438 HydrophobicContact CB-CD1 4.22Å; D436-L438 HydrophobicContact CB-CG 4.08Å; D436-L438 PolarHBondContact O-N 3.06Å; D436-L438 PolarHBondContact OD1-N 3.38Å; D436-L438 VanDerWaalsContact OD1-N 3.1Å
439	Q	83.2	Confident	84.7	Confident	33 Å²	33	64.8 Å²	64.8	15%	0.154	31%	0.314	C	S	.	.			trans	-118.6	156.7	-178.8	-57.3	-165.4	20.8	0	0	111.5	L413 T434	L413-Q439 HydrophobicContact CD1-CB 3.75Å; L413-Q439 HydrophobicContact CD1-CG 4.37Å; T434-Q439 PolarHBondContact N-O 3.02Å; T434-Q439 PolarHBondContact OG1-O 2.92Å
440	Q	88.7	Confident	84	Confident	45 Å²	45	66.6 Å²	66.6	21%	0.21	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.7	174.5	64.9	-172	-6	0	0	108.4	A432 R442	A432-Q440 CarbonylContact O-C 3.4Å; A432-Q440 VanDerWaalsContact O-CA 3.31Å; A432-Q440 WeakPolarHBondContact O-CA 3.49Å; Q440-R442 HydrophobicContact CG-CG 4.46Å
441	L	92.9	Very high	82.8	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	137.5	164.7	-59.6	-174.4	0	0	0	108.7	F382 L413 V416 I431 A432 T434 F443 V457 I458 L485	F382-L441 HydrophobicContact CD2-CD1 3.55Å; F382-L441 HydrophobicContact CE2-CD1 3.62Å; L413-L441 HydrophobicContact CD1-CD2 3.83Å; L413-L441 HydrophobicContact CG-CD2 4.47Å; V416-L441 HydrophobicContact CG2-CD1 3.7Å; I431-L441 CarbonylContact C-O 3.45Å; I431-L441 VanDerWaalsContact CA-O 3.31Å; I431-L441 WeakPolarHBondContact CA-O 3.25Å; A432-L441 PolarHBondContact N-O 3.24Å; A432-L441 PolarHBondContact O-N 3.32Å; T434-L441 HydrophobicContact CG2-CD1 4.23Å; T434-L441 HydrophobicContact CG2-CD2 4.11Å; T434-L441 HydrophobicContact CG2-CG 3.75Å; L441-F443 HydrophobicContact CB-CE2 4.14Å; L441-F443 HydrophobicContact CB-CZ 3.96Å; L441-V457 HydrophobicContact CB-CG2 4.11Å; L441-V457 HydrophobicContact CD1-CG2 4.12Å; L441-V457 HydrophobicContact CD2-CG2 4.3Å; L441-V457 HydrophobicContact CG-CG2 4.41Å; L441-I458 WeakPolarHBondContact CA-O 3.44Å; L441-L485 HydrophobicContact CD1-CD1 4.47Å; L441-L485 HydrophobicContact CD2-CD1 3.81Å
442	R	91.6	Very high	82	Confident	37 Å²	37	68.6 Å²	68.6	14%	0.14	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	143.7	176.6	-68.1	166.7	159.8	-101.6	-11.3	108.6	T430 I431 Q440 V457 I458 E616 G617	T430-R442 WeakPolarHBondContact O-CA 3.49Å; I431-R442 HydrophobicContact CG2-CG 4.14Å; Q440-R442 HydrophobicContact CG-CG 4.46Å; R442-V457 CarbonylContact O-C 3.6Å; R442-V457 WeakPolarHBondContact O-CA 3.37Å; R442-I458 HydrophobicContact CB-CB 4.29Å; R442-I458 PolarHBondContact N-O 2.93Å; R442-I458 PolarHBondContact O-N 3.47Å; R442-E616 IonicContact CZ-OE1 2.63Å; R442-E616 IonicContact NH1-OE1 3.97Å; R442-E616 PolarHBondContact NH1-OE1 3.48Å; R442-E616 IonicContact NH2-OE1 3.51Å; R442-E616 PolarHBondContact NH2-OE1 2.92Å; R442-G617 VanDerWaalsContact NH1-N 3.11Å
443	F	93.3	Very high	81.6	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.009	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	146	-179	-52.3	-90.6	0	0	0	112.6	F382 L421 I426 E429 T430 A432 L441 Y456 V457	F382-F443 AromaticContact CE1-CE1 3.69Å; F382-F443 HydrophobicContact CE1-CE1 3.69Å; F382-F443 HydrophobicContact CE1-CZ 4.36Å; F382-F443 HydrophobicContact CE2-CE1 4.09Å; F382-F443 AromaticContact CE2-CZ 3.95Å; F382-F443 HydrophobicContact CE2-CZ 3.95Å; F382-F443 AromaticContact CZ-CE1 3.3Å; F382-F443 HydrophobicContact CZ-CE1 3.3Å; F382-F443 AromaticContact CZ-CZ 3.53Å; F382-F443 HydrophobicContact CZ-CZ 3.53Å; L421-F443 HydrophobicContact CD2-CD2 4.22Å; L421-F443 HydrophobicContact CD2-CE1 3.95Å; L421-F443 HydrophobicContact CD2-CE2 3.52Å; L421-F443 HydrophobicContact CD2-CZ 3.37Å; I426-F443 HydrophobicContact CD1-CD1 3.88Å; I426-F443 HydrophobicContact CD1-CE1 4.25Å; I426-F443 HydrophobicContact CD1-CG 4.39Å; I426-F443 HydrophobicContact CG1-CD1 4.27Å; I426-F443 HydrophobicContact CG1-CG 4.29Å; I426-F443 HydrophobicContact CG2-CB 3.4Å; I426-F443 VanDerWaalsContact CG2-CB 3.4Å; I426-F443 HydrophobicContact CG2-CD1 4.37Å; I426-F443 HydrophobicContact CG2-CG 4.04Å; E429-F443 PolarHBondContact N-O 3.26Å; T430-F443 WeakPolarHBondContact O-CD2 3.25Å; T430-F443 PolarHBondContact O-N 2.81Å; T430-F443 WeakPolarHBondContact OG1-CB 3.42Å; A432-F443 HydrophobicContact CB-CE2 3.87Å; A432-F443 HydrophobicContact CB-CZ 4.38Å; L441-F443 HydrophobicContact CB-CE2 4.14Å; L441-F443 HydrophobicContact CB-CZ 3.96Å; F443-Y456 VanDerWaalsContact CA-O 3.29Å; F443-Y456 WeakPolarHBondContact CA-O 2.85Å; F443-V457 HydrophobicContact CD1-CB 3.91Å; F443-V457 HydrophobicContact CD1-CG2 4.02Å; F443-V457 HydrophobicContact CE1-CB 3.78Å; F443-V457 HydrophobicContact CE1-CG2 3.52Å; F443-V457 HydrophobicContact CZ-CG2 4.12Å
444	I	90.3	Very high	81.4	Confident	64 Å²	64	66.9 Å²	66.9	33%	0.328	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131.7	176.4	-56.6	179.5	0	0	0	107.7	Y456 I458	I444-Y456 PolarHBondContact N-O 3.39Å; I444-Y456 PolarHBondContact O-N 3.45Å; I444-I458 HydrophobicContact CD1-CD1 3.48Å; I444-I458 VanDerWaalsContact CD1-CD1 3.48Å; I444-I458 HydrophobicContact CG1-CD1 4.13Å
445	R	89.5	Confident	81.4	Confident	104 Å²	104	68.7 Å²	68.7	39%	0.392	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	107	168.9	-176.6	176.5	178.4	-98.8	4.1	107.8	N428 I453 Y455	N428-R445 PolarHBondContact OD1-N 2.97Å; N428-R445 PolarHBondContact OD1-O 3.19Å; R445-I453 HydrophobicContact CG-CG2 3.83Å; R445-Y455 HydrophobicContact CB-CD1 4.41Å; R445-Y455 HydrophobicContact CB-CE1 4.36Å; R445-Y455 HydrophobicContact CG-CD1 4.35Å; R445-Y455 HydrophobicContact CG-CE1 3.98Å
446	G	82.8	Confident	81.6	Confident	19 Å²	19	69.4 Å²	69.4	20%	0.196	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	162.5	176.4	0	0	0	0	0	112	T454	G446-T454 PolarHBondContact N-O 3.2Å; G446-T454 PolarHBondContact O-N 3.22Å; G446-T454 VanDerWaalsContact O-O 3.12Å
447	E	76.1	Confident	82.1	Confident	128 Å²	128	67.4 Å²	67.4	60%	0.598	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.7	104.4	170.8	-67.9	178.6	-175.2	0	0	108.1	N452	E447-N452 CarbonylContact C-O 3.56Å; E447-N452 VanDerWaalsContact CA-O 3.3Å; E447-N452 WeakPolarHBondContact CA-O 3.45Å
448	W	63.3	Low	82.8	Confident	179 Å²	179	63 Å²	63	68%	0.678	30%	0.298	S	S	*	.			trans	-159.8	126.6	178.1	-164.1	88	0	0	0	112.4	N452 T454	W448-N452 PolarHBondContact N-O 2.83Å; W448-T454 WeakPolarHBondContact O-CG2 3.41Å
449	P	67.3	Low	83.6	Confident	59 Å²	59	57.2 Å²	57.2	38%	0.383	27%	0.269	S	S	.	.	S	Bend	cis	-56.3	173.7	-12.3	-22.4	33.9	0	0	0	112.7	N451 N452	P449-N451 PolarHBondContact O-N 3.18Å; P449-N452 WeakPolarHBondContact O-CB 3.44Å; P449-N452 PolarHBondContact O-N 3.27Å
450	K	64.7	Low	83.9	Confident	192 Å²	192	56.3 Å²	56.3	84%	0.835	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	134.1	178.2	-73.3	-174.3	178	-177.9	0	110.4	N452	K450-N452 VanDerWaalsContact C-N 3.26Å; K450-N452 PolarHBondContact O-N 3.32Å
451	N	63.1	Low	84	Confident	120 Å²	120	54.4 Å²	54.4	64%	0.642	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.5	3.9	-175.8	-51.8	-16	0	0	0	116.5	P449	P449-N451 PolarHBondContact O-N 3.18Å
452	N	73.8	Confident	84.1	Confident	31 Å²	31	54.6 Å²	54.6	17%	0.166	26%	0.262	C	S	.	.			trans	-109	121.3	172.9	-168	4.8	0	0	0	110.6	E447 W448 P449 K450 T454	E447-N452 CarbonylContact C-O 3.56Å; E447-N452 VanDerWaalsContact CA-O 3.3Å; E447-N452 WeakPolarHBondContact CA-O 3.45Å; W448-N452 PolarHBondContact N-O 2.83Å; P449-N452 WeakPolarHBondContact O-CB 3.44Å; P449-N452 PolarHBondContact O-N 3.27Å; K450-N452 VanDerWaalsContact C-N 3.26Å; K450-N452 PolarHBondContact O-N 3.32Å; N452-T454 PolarHBondContact O-N 3.28Å
453	I	82	Confident	84.1	Confident	59 Å²	59	57.9 Å²	57.9	30%	0.303	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	119.8	-179	-61	155.8	0	0	0	108.5	R445 Y455	R445-I453 HydrophobicContact CG-CG2 3.83Å; I453-Y455 HydrophobicContact CG2-CD2 4.27Å; I453-Y455 HydrophobicContact CG2-CE1 4.45Å; I453-Y455 HydrophobicContact CG2-CE2 3.68Å
454	T	87.7	Confident	84.2	Confident	27 Å²	27	57.8 Å²	57.8	17%	0.166	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.2	172.6	45.9	0	0	0	0	110.3	G446 W448 N452 Y456	G446-T454 PolarHBondContact N-O 3.2Å; G446-T454 PolarHBondContact O-N 3.22Å; G446-T454 VanDerWaalsContact O-O 3.12Å; W448-T454 WeakPolarHBondContact O-CG2 3.41Å; N452-T454 PolarHBondContact O-N 3.28Å; T454-Y456 VanDerWaalsContact OG1-CE2 3.3Å; T454-Y456 WeakPolarHBondContact OG1-CE2 3.42Å; T454-Y456 PolarHBondContact OG1-OH 3.19Å; T454-Y456 VanDerWaalsContact OG1-OH 3.14Å
455	Y	92.3	Very high	84.4	Confident	37 Å²	37	55.6 Å²	55.6	15%	0.145	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	135.9	176.2	-64.6	-87.3	0	0	0	109.6	T423 I426 R445 I453 I466	T423-Y455 HydrophobicContact CG2-CD2 3.8Å; T423-Y455 HydrophobicContact CG2-CE2 3.89Å; T423-Y455 HydrophobicContact CG2-CG 4.14Å; T423-Y455 VanDerWaalsContact O-CE1 3.31Å; T423-Y455 WeakPolarHBondContact O-CE1 3.39Å; T423-Y455 PolarHBondContact O-OH 3.2Å; I426-Y455 HydrophobicContact CB-CD1 4.02Å; I426-Y455 HydrophobicContact CB-CE1 4.16Å; I426-Y455 HydrophobicContact CG2-CD1 3.73Å; I426-Y455 HydrophobicContact CG2-CE1 4.21Å; R445-Y455 HydrophobicContact CB-CD1 4.41Å; R445-Y455 HydrophobicContact CB-CE1 4.36Å; R445-Y455 HydrophobicContact CG-CD1 4.35Å; R445-Y455 HydrophobicContact CG-CE1 3.98Å; I453-Y455 HydrophobicContact CG2-CD2 4.27Å; I453-Y455 HydrophobicContact CG2-CE1 4.45Å; I453-Y455 HydrophobicContact CG2-CE2 3.68Å; Y455-I466 PolarHBondContact O-N 3.17Å
456	Y	93.1	Very high	84.6	Confident	40 Å²	40	51.5 Å²	51.5	16%	0.157	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140	176.1	-60.2	-92.3	0	0	0	109.9	F443 I444 T454 K463 A464 A465	F443-Y456 VanDerWaalsContact CA-O 3.29Å; F443-Y456 WeakPolarHBondContact CA-O 2.85Å; I444-Y456 PolarHBondContact N-O 3.39Å; I444-Y456 PolarHBondContact O-N 3.45Å; T454-Y456 VanDerWaalsContact OG1-CE2 3.3Å; T454-Y456 WeakPolarHBondContact OG1-CE2 3.42Å; T454-Y456 PolarHBondContact OG1-OH 3.19Å; T454-Y456 VanDerWaalsContact OG1-OH 3.14Å; Y456-K463 HydrophobicContact CD1-CD 4.34Å; Y456-K463 HydrophobicContact CD1-CG 4.12Å; Y456-A464 CarbonylContact C-O 3.51Å; Y456-A464 VanDerWaalsContact CA-O 3.23Å; Y456-A464 WeakPolarHBondContact CA-O 3.28Å; Y456-A465 HydrophobicContact CD1-CB 3.91Å; Y456-A465 HydrophobicContact CE1-CB 3.73Å
457	V	94.4	Very high	85.1	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.9	169.3	58	0	0	0	0	108.7	F382 L441 R442 F443 A464 I481 L485	F382-V457 HydrophobicContact CD1-CB 4.31Å; F382-V457 HydrophobicContact CD1-CG1 3.95Å; F382-V457 HydrophobicContact CD1-CG2 4.33Å; F382-V457 HydrophobicContact CE1-CB 4.3Å; F382-V457 HydrophobicContact CE1-CG1 4.4Å; F382-V457 HydrophobicContact CE1-CG2 4.33Å; L441-V457 HydrophobicContact CB-CG2 4.11Å; L441-V457 HydrophobicContact CD1-CG2 4.12Å; L441-V457 HydrophobicContact CD2-CG2 4.3Å; L441-V457 HydrophobicContact CG-CG2 4.41Å; R442-V457 CarbonylContact O-C 3.6Å; R442-V457 WeakPolarHBondContact O-CA 3.37Å; F443-V457 HydrophobicContact CD1-CB 3.91Å; F443-V457 HydrophobicContact CD1-CG2 4.02Å; F443-V457 HydrophobicContact CE1-CB 3.78Å; F443-V457 HydrophobicContact CE1-CG2 3.52Å; F443-V457 HydrophobicContact CZ-CG2 4.12Å; V457-A464 HydrophobicContact CG1-CB 4.05Å; V457-A464 PolarHBondContact N-O 3.4Å; V457-A464 PolarHBondContact O-N 2.9Å; V457-I481 HydrophobicContact CG1-CD1 4.5Å; V457-I481 HydrophobicContact CG1-CG2 3.85Å; V457-L485 HydrophobicContact CG1-CD1 4.49Å; V457-L485 HydrophobicContact CG1-CD2 4.26Å; V457-L485 HydrophobicContact CG2-CD1 4.22Å
458	I	93.2	Very high	85.9	Confident	23 Å²	23	46.7 Å²	46.7	12%	0.118	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	121.9	178.4	-57.4	172.4	0	0	0	107.6	L441 R442 I444 V462 K463	L441-I458 WeakPolarHBondContact CA-O 3.44Å; R442-I458 HydrophobicContact CB-CB 4.29Å; R442-I458 PolarHBondContact N-O 2.93Å; R442-I458 PolarHBondContact O-N 3.47Å; I444-I458 HydrophobicContact CD1-CD1 3.48Å; I444-I458 VanDerWaalsContact CD1-CD1 3.48Å; I444-I458 HydrophobicContact CG1-CD1 4.13Å; I458-V462 WeakPolarHBondContact CA-O 3.5Å; I458-K463 HydrophobicContact CD1-CD 4.49Å; I458-K463 HydrophobicContact CD1-CG 4.35Å; I458-K463 HydrophobicContact CG1-CB 3.96Å; I458-K463 HydrophobicContact CG1-CG 3.9Å
459	G	92.6	Very high	87.3	Confident	2 Å²	2	39.2 Å²	39.2	2%	0.021	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	135.7	179.8	0	0	0	0	0	110.8	G461 V462 G486	G459-G461 PolarHBondContact O-N 2.81Å; G459-V462 PolarHBondContact N-O 2.96Å; G459-V462 PolarHBondContact O-N 2.8Å; G459-G486 PolarHBondContact O-N 2.71Å; G459-G486 VanDerWaalsContact O-N 3.13Å
460	G	90.3	Very high	88.6	Confident	14 Å²	14	36.5 Å²	36.5	14%	0.144	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	36.4	-178.4	0	0	0	0	0	113.9	V462 A621	G460-V462 VanDerWaalsContact C-N 3.25Å; G460-V462 PolarHBondContact O-N 2.97Å; G460-A621 VanDerWaalsContact O-CB 3.3Å; G460-A621 WeakPolarHBondContact O-CB 3.29Å
461	G	90.5	Very high	90.1	Very high	6 Å²	6	27.8 Å²	27.8	6%	0.062	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	4.2	-177.6	0	0	0	0	0	115.7	G459 I620 A621	G459-G461 PolarHBondContact O-N 2.81Å; G461-I620 WeakPolarHBondContact O-CA 3.48Å; G461-A621 PolarHBondContact O-N 2.92Å
462	V	93.6	Very high	91.6	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.024	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	126.2	176.9	179.8	0	0	0	0	109.6	I458 G459 G460 R483 V487 Y489 A621	I458-V462 WeakPolarHBondContact CA-O 3.5Å; G459-V462 PolarHBondContact N-O 2.96Å; G459-V462 PolarHBondContact O-N 2.8Å; G460-V462 VanDerWaalsContact C-N 3.25Å; G460-V462 PolarHBondContact O-N 2.97Å; V462-R483 HydrophobicContact CG1-CB 3.9Å; V462-R483 HydrophobicContact CG1-CG 4.5Å; V462-V487 WeakPolarHBondContact CG2-O 3.49Å; V462-Y489 HydrophobicContact CG1-CE1 4.42Å; V462-A621 HydrophobicContact CG2-CB 4.06Å
463	K	92.6	Very high	92.5	Very high	106 Å²	106	21.2 Å²	21.2	46%	0.461	11%	0.109	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.2	171.6	-179.2	178.2	177.4	-177	0	109.9	Y456 I458	Y456-K463 HydrophobicContact CD1-CD 4.34Å; Y456-K463 HydrophobicContact CD1-CG 4.12Å; I458-K463 HydrophobicContact CD1-CD 4.49Å; I458-K463 HydrophobicContact CD1-CG 4.35Å; I458-K463 HydrophobicContact CG1-CB 3.96Å; I458-K463 HydrophobicContact CG1-CG 3.9Å
464	A	95.1	Very high	93	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	140.6	177.4	0	0	0	0	0	110.7	Y456 V457 I481 R483 L485	Y456-A464 CarbonylContact C-O 3.51Å; Y456-A464 VanDerWaalsContact CA-O 3.23Å; Y456-A464 WeakPolarHBondContact CA-O 3.28Å; V457-A464 HydrophobicContact CG1-CB 4.05Å; V457-A464 PolarHBondContact N-O 3.4Å; V457-A464 PolarHBondContact O-N 2.9Å; A464-I481 HydrophobicContact CB-CB 4.07Å; A464-I481 HydrophobicContact CB-CD1 4.02Å; A464-R483 HydrophobicContact CB-CB 3.75Å; A464-R483 HydrophobicContact CB-CG 4.28Å; A464-L485 HydrophobicContact CB-CD2 3.85Å
465	A	93.7	Very high	93.2	Very high	18 Å²	18	19.9 Å²	19.9	15%	0.149	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	139.9	169.3	0	0	0	0	0	109.7	Y456 W467 I481 D482	Y456-A465 HydrophobicContact CD1-CB 3.91Å; Y456-A465 HydrophobicContact CE1-CB 3.73Å; A465-W467 PolarHBondContact O-N 3.23Å; A465-I481 WeakPolarHBondContact O-CA 3.49Å; A465-D482 PolarHBondContact N-OD1 2.9Å; A465-D482 PolarHBondContact O-N 2.8Å
466	I	94.4	Very high	93.2	Very high	17 Å²	17	18.3 Å²	18.3	9%	0.087	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	116.4	169.9	-57.5	-177.1	0	0	0	107.6	F382 I426 Y455 E469 H479 Y480 I481	F382-I466 HydrophobicContact CE1-CD1 4.21Å; I426-I466 HydrophobicContact CD1-CD1 4.37Å; Y455-I466 PolarHBondContact O-N 3.17Å; I466-E469 HydrophobicContact CG2-CB 3.83Å; I466-H479 HydrophobicContact CD1-CB 4.28Å; I466-H479 HydrophobicContact CG2-CB 4.06Å; I466-Y480 CarbonylContact C-O 3.31Å; I466-Y480 WeakPolarHBondContact CA-O 3.48Å; I466-I481 HydrophobicContact CG1-CG2 4.19Å
467	W	92.6	Very high	93.3	Very high	32 Å²	32	16.5 Å²	16.5	12%	0.121	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	-38.2	-179.1	174.6	80.7	0	0	0	112.5	L286 Y353 I385 A465 Y480	L286-W467 HydrophobicContact CB-CH2 4.13Å; L286-W467 HydrophobicContact CB-CZ2 3.73Å; L286-W467 HydrophobicContact CD1-CH2 3.74Å; L286-W467 HydrophobicContact CD1-CZ2 4.1Å; L286-W467 HydrophobicContact CD1-CZ3 4.01Å; L286-W467 HydrophobicContact CD2-CZ2 4.48Å; L286-W467 HydrophobicContact CG-CH2 4.45Å; L286-W467 HydrophobicContact CG-CZ2 4.32Å; Y353-W467 HydrophobicContact CD1-CH2 4.28Å; Y353-W467 AromaticContact CD2-CH2 3.61Å; Y353-W467 HydrophobicContact CD2-CH2 3.61Å; Y353-W467 HydrophobicContact CD2-CZ3 4.01Å; Y353-W467 HydrophobicContact CE1-CH2 4.25Å; Y353-W467 HydrophobicContact CE1-CZ2 4.48Å; Y353-W467 AromaticContact CE2-CH2 3.59Å; Y353-W467 HydrophobicContact CE2-CH2 3.59Å; Y353-W467 HydrophobicContact CE2-CZ2 4.44Å; Y353-W467 HydrophobicContact CE2-CZ3 4.41Å; Y353-W467 AromaticContact CG-CH2 3.98Å; Y353-W467 HydrophobicContact CG-CH2 3.98Å; Y353-W467 HydrophobicContact CG-CZ3 4.3Å; Y353-W467 AromaticContact CZ-CH2 3.92Å; I385-W467 HydrophobicContact CD1-CD2 4.41Å; I385-W467 HydrophobicContact CD1-CG 4.27Å; I385-W467 HydrophobicContact CG2-CD2 4.5Å; I385-W467 HydrophobicContact CG2-CE3 3.98Å; I385-W467 HydrophobicContact CG2-CZ3 4.44Å; A465-W467 PolarHBondContact O-N 3.23Å; W467-Y480 PolarHBondContact N-O 3.34Å
468	Q	93.8	Very high	93.4	Very high	14 Å²	14	16.5 Å²	16.5	7%	0.065	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	122.7	171.5	174.4	-178.3	57	0	0	108.9	L286 W315 V471 H479 Y480	L286-Q468 HydrophobicContact CD1-CB 4.09Å; L286-Q468 HydrophobicContact CD1-CG 4.12Å; W315-Q468 HydrophobicContact CD2-CG 3.95Å; W315-Q468 VanDerWaalsContact CD2-NE2 3.26Å; W315-Q468 HydrophobicContact CE3-CG 4.16Å; W315-Q468 HydrophobicContact CH2-CG 3.98Å; W315-Q468 HydrophobicContact CZ2-CG 3.74Å; W315-Q468 HydrophobicContact CZ3-CG 4.17Å; Q468-V471 HydrophobicContact CG-CG2 3.67Å; Q468-H479 CarbonylContact O-C 3.52Å; Q468-Y480 HydrophobicContact CB-CD2 3.93Å; Q468-Y480 HydrophobicContact CB-CG 4.47Å; Q468-Y480 HydrophobicContact CG-CD2 4.08Å; Q468-Y480 PolarHBondContact N-O 2.84Å; Q468-Y480 PolarHBondContact O-N 2.86Å
469	E	93.4	Very high	93.6	Very high	23 Å²	23	15.4 Å²	15.4	11%	0.107	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	158.2	-169.3	72.1	-85.5	-156.8	0	0	114.6	R284 W315 T423 I466 V471	R284-E469 IonicContact CZ-OE1 2.8Å; R284-E469 VanDerWaalsContact CZ-OE1 3.28Å; R284-E469 IonicContact NH1-OE1 3.49Å; R284-E469 IonicContact NH2-OE1 3.64Å; R284-E469 PolarHBondContact NH2-OE1 3.44Å; W315-E469 HydrophobicContact CZ2-CG 4.37Å; W315-E469 PolarHBondContact NE1-O 2.82Å; T423-E469 HydrophobicContact CG2-CB 3.58Å; T423-E469 HydrophobicContact CG2-CG 3.88Å; I466-E469 HydrophobicContact CG2-CB 3.83Å; E469-V471 PolarHBondContact O-N 3.47Å
470	D	94.7	Very high	93.9	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.011	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	57	22.8	166.3	-64.3	-37.9	0	0	0	115.1	A313 T422 T423 S472 H479	A313-D470 WeakPolarHBondContact CA-O 3.37Å; A313-D470 HydrophobicContact CB-CB 3.86Å; A313-D470 WeakPolarHBondContact CB-O 3.13Å; A313-D470 PolarHBondContact N-O 2.8Å; T422-D470 WeakPolarHBondContact CA-OD1 3.15Å; T422-D470 WeakPolarHBondContact CB-OD1 3.34Å; T422-D470 WeakPolarHBondContact CG2-OD1 3.38Å; T423-D470 WeakPolarHBondContact CB-OD2 3.3Å; T423-D470 WeakPolarHBondContact CG2-OD2 3.21Å; T423-D470 PolarHBondContact N-OD1 2.74Å; T423-D470 PolarHBondContact N-OD2 3.43Å; T423-D470 PolarHBondContact OG1-OD2 2.91Å; D470-S472 PolarHBondContact O-N 3.35Å; D470-H479 PolarHBondContact N-CE1 3.37Å; D470-H479 VanDerWaalsContact N-CE1 3.3Å; D470-H479 PolarHBondContact N-ND1 3.04Å; D470-H479 VanDerWaalsContact N-ND1 3.18Å; D470-H479 IonicContact OD1-CE1 2.6Å; D470-H479 PolarHBondContact OD1-CE1 3.4Å; D470-H479 IonicContact OD1-NE2 3.79Å
471	V	96	Very high	94.2	Very high	8 Å²	8	14.9 Å²	14.9	5%	0.048	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	110.9	-175.9	-177.4	0	0	0	0	109.8	L347 Q468 E469 I477 I478 Y480	L347-V471 HydrophobicContact CD1-CG1 4.24Å; Q468-V471 HydrophobicContact CG-CG2 3.67Å; E469-V471 PolarHBondContact O-N 3.47Å; V471-I477 WeakPolarHBondContact O-CA 3.28Å; V471-I478 HydrophobicContact CB-CB 4.18Å; V471-I478 WeakPolarHBondContact CB-O 3.27Å; V471-I478 PolarHBondContact N-O 2.9Å; V471-I478 PolarHBondContact O-N 3.28Å; V471-Y480 HydrophobicContact CB-CE2 4.41Å; V471-Y480 HydrophobicContact CG2-CD2 4.09Å; V471-Y480 HydrophobicContact CG2-CE2 3.91Å
472	S	94.2	Very high	94.4	Very high	11 Å²	11	15.2 Å²	15.2	8%	0.077	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	137.6	-171.2	-166	0	0	0	0	112.1	R311 A313 V340 D470	R311-S472 WeakPolarHBondContact O-CB 3.47Å; R311-S472 PolarHBondContact O-OG 2.99Å; A313-S472 PolarHBondContact O-N 2.84Å; V340-S472 WeakPolarHBondContact CG2-OG 3.37Å; D470-S472 PolarHBondContact O-N 3.35Å
473	A	92.9	Very high	94.5	Very high	3 Å²	3	17.3 Å²	17.3	3%	0.025	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	163.1	177.4	0	0	0	0	0	110.7	N342 I344 L347 N475 G476	N342-A473 WeakPolarHBondContact O-CA 3.44Å; I344-A473 HydrophobicContact CG1-CB 3.54Å; L347-A473 HydrophobicContact CD1-CB 3.72Å; A473-N475 PolarHBondContact O-N 2.82Å; A473-G476 CarbonylContact C-O 3.55Å; A473-G476 WeakPolarHBondContact CA-O 3.37Å; A473-G476 WeakPolarHBondContact CB-O 3.4Å; A473-G476 PolarHBondContact N-O 3.39Å; A473-G476 PolarHBondContact O-N 3.03Å
474	I	91.1	Very high	94.7	Very high	54 Å²	54	12.6 Å²	12.6	28%	0.277	6%	0.064	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-40.2	178.9	-71.7	178.4	0	0	0	111.9	R310 S341 N342	R310-I474 PolarHBondContact NH1-O 3.39Å; S341-I474 VanDerWaalsContact C-CD1 3.47Å; S341-I474 WeakPolarHBondContact O-CD1 2.78Å; N342-I474 PolarHBondContact O-N 2.75Å
475	N	91.9	Very high	94.7	Very high	4 Å²	4	12.6 Å²	12.6	2%	0.021	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	19.7	-175.8	60.2	-47.9	0	0	0	113.2	T343 I344 Y371 F372 S373 L378 V379 A473	T343-N475 WeakPolarHBondContact CA-OD1 3.35Å; T343-N475 WeakPolarHBondContact CB-OD1 3.35Å; I344-N475 PolarHBondContact N-OD1 2.92Å; Y371-N475 PolarHBondContact O-ND2 3.44Å; F372-N475 WeakPolarHBondContact CA-ND2 3.48Å; F372-N475 PolarHBondContact O-ND2 2.93Å; S373-N475 PolarHBondContact O-ND2 2.84Å; L378-N475 WeakPolarHBondContact CA-O 3.48Å; V379-N475 PolarHBondContact N-O 3.32Å; A473-N475 PolarHBondContact O-N 2.82Å
476	G	93.2	Very high	94.6	Very high	3 Å²	3	12.4 Å²	12.4	3%	0.031	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	141	-144.7	172.4	0	0	0	0	0	114.2	V379 A473	V379-G476 CarbonylContact O-C 3.57Å; V379-G476 WeakPolarHBondContact O-CA 3.43Å; A473-G476 CarbonylContact C-O 3.55Å; A473-G476 WeakPolarHBondContact CA-O 3.37Å; A473-G476 WeakPolarHBondContact CB-O 3.4Å; A473-G476 PolarHBondContact N-O 3.39Å; A473-G476 PolarHBondContact O-N 3.03Å
477	I	95	Very high	94.6	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.01	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	140.4	-171.3	-61.9	-176.6	0	0	0	110.2	V379 T380 F381 D420 T422 V471	V379-I477 PolarHBondContact O-N 2.91Å; T380-I477 CarbonylContact C-O 3.53Å; T380-I477 WeakPolarHBondContact CA-O 3.42Å; F381-I477 PolarHBondContact N-O 3.3Å; D420-I477 HydrophobicContact CB-CD1 3.8Å; D420-I477 HydrophobicContact CB-CG1 4.01Å; T422-I477 HydrophobicContact CG2-CD1 3.27Å; V471-I477 WeakPolarHBondContact O-CA 3.28Å
478	I	97.1	Very high	94.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	131.6	172.9	-49.6	171.5	0	0	0	109.1	I344 L347 L348 F381 A383 V471 Y480	I344-I478 HydrophobicContact CB-CD1 4.24Å; I344-I478 HydrophobicContact CB-CG1 4.38Å; I344-I478 HydrophobicContact CD1-CG1 4.5Å; I344-I478 HydrophobicContact CG1-CD1 4.24Å; I344-I478 HydrophobicContact CG1-CG1 3.95Å; I344-I478 HydrophobicContact CG2-CD1 3.84Å; I344-I478 HydrophobicContact CG2-CG1 3.94Å; L347-I478 HydrophobicContact CB-CD1 3.83Å; L347-I478 HydrophobicContact CD1-CD1 4Å; L348-I478 HydrophobicContact CD2-CD1 4.24Å; L348-I478 HydrophobicContact CG-CD1 4.3Å; F381-I478 HydrophobicContact CD1-CG2 4.4Å; F381-I478 CarbonylContact O-C 3.56Å; F381-I478 VanDerWaalsContact O-CA 3.32Å; F381-I478 WeakPolarHBondContact O-CA 3.11Å; A383-I478 HydrophobicContact CB-CG2 3.66Å; V471-I478 HydrophobicContact CB-CB 4.18Å; V471-I478 WeakPolarHBondContact CB-O 3.27Å; V471-I478 PolarHBondContact N-O 2.9Å; V471-I478 PolarHBondContact O-N 3.28Å; I478-Y480 HydrophobicContact CG2-CD1 4.29Å; I478-Y480 HydrophobicContact CG2-CD2 4.25Å; I478-Y480 HydrophobicContact CG2-CE1 3.91Å; I478-Y480 HydrophobicContact CG2-CE2 3.95Å; I478-Y480 HydrophobicContact CG2-CG 4.44Å
479	H	97.4	Very high	94.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	117.5	163.8	-65.5	-82	0	0	0	108	F381 F382 A383 L421 I466 Q468 D470	F381-H479 PolarHBondContact O-N 3.22Å; F382-H479 CarbonylContact C-O 3.58Å; F382-H479 VanDerWaalsContact CA-O 3.26Å; F382-H479 WeakPolarHBondContact CA-O 3.23Å; F382-H479 HydrophobicContact CD1-CB 3.67Å; F382-H479 HydrophobicContact CE1-CB 3.79Å; F382-H479 AromaticContact CE1-CD2 3.7Å; F382-H479 AromaticContact CE1-CG 3.9Å; A383-H479 PolarHBondContact N-O 3.15Å; L421-H479 PolarHBondContact O-NE2 2.9Å; I466-H479 HydrophobicContact CD1-CB 4.28Å; I466-H479 HydrophobicContact CG2-CB 4.06Å; Q468-H479 CarbonylContact O-C 3.52Å; D470-H479 PolarHBondContact N-CE1 3.37Å; D470-H479 VanDerWaalsContact N-CE1 3.3Å; D470-H479 PolarHBondContact N-ND1 3.04Å; D470-H479 VanDerWaalsContact N-ND1 3.18Å; D470-H479 IonicContact OD1-CE1 2.6Å; D470-H479 PolarHBondContact OD1-CE1 3.4Å; D470-H479 IonicContact OD1-NE2 3.79Å
480	Y	97.2	Very high	94.1	Very high	5 Å²	5	14.7 Å²	14.7	2%	0.02	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	131.6	175.2	-67.1	-76.2	0	0	0	110.1	L348 N351 S354 A383 I385 I466 W467 Q468 V471 I478	L348-Y480 HydrophobicContact CD2-CE1 3.99Å; N351-Y480 WeakPolarHBondContact ND2-CE1 3.49Å; N351-Y480 PolarHBondContact ND2-OH 3.35Å; S354-Y480 WeakPolarHBondContact OG-CE1 3.13Å; A383-Y480 HydrophobicContact CB-CD1 3.61Å; A383-Y480 HydrophobicContact CB-CE1 3.7Å; A383-Y480 CarbonylContact O-C 3.58Å; A383-Y480 WeakPolarHBondContact O-CA 3.5Å; I385-Y480 HydrophobicContact CG2-CD1 4.26Å; I385-Y480 HydrophobicContact CG2-CG 4.41Å; I466-Y480 CarbonylContact C-O 3.31Å; I466-Y480 WeakPolarHBondContact CA-O 3.48Å; W467-Y480 PolarHBondContact N-O 3.34Å; Q468-Y480 HydrophobicContact CB-CD2 3.93Å; Q468-Y480 HydrophobicContact CB-CG 4.47Å; Q468-Y480 HydrophobicContact CG-CD2 4.08Å; Q468-Y480 PolarHBondContact N-O 2.84Å; Q468-Y480 PolarHBondContact O-N 2.86Å; V471-Y480 HydrophobicContact CB-CE2 4.41Å; V471-Y480 HydrophobicContact CG2-CD2 4.09Å; V471-Y480 HydrophobicContact CG2-CE2 3.91Å; I478-Y480 HydrophobicContact CG2-CD1 4.29Å; I478-Y480 HydrophobicContact CG2-CD2 4.25Å; I478-Y480 HydrophobicContact CG2-CE1 3.91Å; I478-Y480 HydrophobicContact CG2-CE2 3.95Å; I478-Y480 HydrophobicContact CG2-CG 4.44Å
481	I	96.8	Very high	93.8	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	152.9	-173.6	63.4	168.9	0	0	0	112	F382 A383 P384 I385 V457 A464 A465 I466 R483 L485	F382-I481 HydrophobicContact CB-CD1 4.1Å; F382-I481 HydrophobicContact CB-CG2 4.26Å; F382-I481 HydrophobicContact CD1-CG2 4.04Å; A383-I481 PolarHBondContact O-N 3.48Å; P384-I481 WeakPolarHBondContact CA-O 3.09Å; P384-I481 HydrophobicContact CB-CG1 4.24Å; P384-I481 HydrophobicContact CG-CD1 4.23Å; P384-I481 HydrophobicContact CG-CG1 4.19Å; I385-I481 PolarHBondContact N-O 3.22Å; V457-I481 HydrophobicContact CG1-CD1 4.5Å; V457-I481 HydrophobicContact CG1-CG2 3.85Å; A464-I481 HydrophobicContact CB-CB 4.07Å; A464-I481 HydrophobicContact CB-CD1 4.02Å; A465-I481 WeakPolarHBondContact O-CA 3.49Å; I466-I481 HydrophobicContact CG1-CG2 4.19Å; I481-R483 WeakPolarHBondContact CD1-O 3.33Å; I481-R483 WeakPolarHBondContact CG1-O 3.45Å; I481-L485 HydrophobicContact CD1-CD1 4.14Å; I481-L485 HydrophobicContact CD1-CD2 4.1Å; I481-L485 HydrophobicContact CD1-CG 3.73Å
482	D	95.1	Very high	93.5	Very high	13 Å²	13	16 Å²	16	7%	0.07	8%	0.08	C	C	.	.	S	Bend	trans	-93.6	5.8	-173.1	86.6	-32.4	0	0	0	114.9	R289 I385 A388 R391 A465	R289-D482 IonicContact CZ-OD2 3.44Å; R289-D482 IonicContact NH1-OD2 2.7Å; R289-D482 PolarHBondContact NH1-OD2 3.04Å; R289-D482 IonicContact NH2-OD2 3.61Å; I385-D482 HydrophobicContact CD1-CB 4.39Å; A388-D482 VanDerWaalsContact CB-C 3.5Å; R391-D482 IonicContact CZ-OD2 3.51Å; R391-D482 VanDerWaalsContact NH1-CG 3.28Å; R391-D482 PolarHBondContact NH1-O 3.41Å; R391-D482 IonicContact NH1-OD2 3.38Å; R391-D482 PolarHBondContact NH1-OD2 3.22Å; R391-D482 IonicContact NH2-OD2 3.35Å; A465-D482 PolarHBondContact N-OD1 2.9Å; A465-D482 PolarHBondContact O-N 2.8Å
483	R	96	Very high	93.3	Very high	48 Å²	48	16.7 Å²	16.7	18%	0.181	8%	0.082	C	C	.	.	S	Bend	trans	-142.1	153.2	174.7	-58.1	-69.4	175.1	172.4	-3.4	109.9	R391 V462 A464 I481	R391-R483 VanDerWaalsContact NH1-NE 3.14Å; V462-R483 HydrophobicContact CG1-CB 3.9Å; V462-R483 HydrophobicContact CG1-CG 4.5Å; A464-R483 HydrophobicContact CB-CB 3.75Å; A464-R483 HydrophobicContact CB-CG 4.28Å; I481-R483 WeakPolarHBondContact CD1-O 3.33Å; I481-R483 WeakPolarHBondContact CG1-O 3.45Å
484	V	96.9	Very high	93.1	Very high	7 Å²	7	19.1 Å²	19.1	4%	0.042	9%	0.094	C	C	.	.			trans	-85	116.7	170.5	-175.1	0	0	0	0	108.7	P384 A388 F389 I392 I410 V487	P384-V484 HydrophobicContact CB-CG2 3.78Å; P384-V484 HydrophobicContact CG-CB 4.44Å; P384-V484 HydrophobicContact CG-CG1 4.43Å; P384-V484 HydrophobicContact CG-CG2 4.08Å; A388-V484 HydrophobicContact CB-CG2 4.16Å; F389-V484 HydrophobicContact CD1-CG2 3.81Å; F389-V484 HydrophobicContact CD2-CG2 4.39Å; F389-V484 HydrophobicContact CE1-CG2 3.71Å; F389-V484 HydrophobicContact CE2-CG2 4.3Å; F389-V484 HydrophobicContact CG-CG2 4.15Å; F389-V484 HydrophobicContact CZ-CG2 3.97Å; I392-V484 HydrophobicContact CD1-CB 4.2Å; I392-V484 HydrophobicContact CD1-CG2 3.82Å; I410-V484 HydrophobicContact CG2-CG1 3.82Å; V484-V487 HydrophobicContact CB-CB 4.21Å; V484-V487 HydrophobicContact CB-CG2 4.29Å; V484-V487 HydrophobicContact CG1-CB 4.14Å; V484-V487 HydrophobicContact CG1-CG2 3.66Å; V484-V487 PolarHBondContact O-N 2.93Å
485	L	95.6	Very high	93.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	139.8	178.6	-56.4	178.2	0	0	0	110.6	F382 L413 H414 L441 V457 A464 I481 V487	F382-L485 HydrophobicContact CB-CD1 4.41Å; L413-L485 HydrophobicContact CD2-CB 3.83Å; L413-L485 HydrophobicContact CG-CB 4.02Å; H414-L485 PolarHBondContact CE1-N 2.82Å; H414-L485 VanDerWaalsContact CE1-N 3.3Å; H414-L485 PolarHBondContact CE1-O 3.1Å; H414-L485 WeakPolarHBondContact NE2-CB 3.13Å; H414-L485 PolarHBondContact NE2-N 2.81Å; L441-L485 HydrophobicContact CD1-CD1 4.47Å; L441-L485 HydrophobicContact CD2-CD1 3.81Å; V457-L485 HydrophobicContact CG1-CD1 4.49Å; V457-L485 HydrophobicContact CG1-CD2 4.26Å; V457-L485 HydrophobicContact CG2-CD1 4.22Å; A464-L485 HydrophobicContact CB-CD2 3.85Å; I481-L485 HydrophobicContact CD1-CD1 4.14Å; I481-L485 HydrophobicContact CD1-CD2 4.1Å; I481-L485 HydrophobicContact CD1-CG 3.73Å; L485-V487 PolarHBondContact O-N 3.29Å
486	G	92	Very high	93.2	Very high	14 Å²	14	17.1 Å²	17.1	14%	0.144	8%	0.084	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	-3.6	-179.2	0	0	0	0	0	116.2	I410 G459	I410-G486 WeakPolarHBondContact CD1-O 3.37Å; G459-G486 PolarHBondContact O-N 2.71Å; G459-G486 VanDerWaalsContact O-N 3.13Å
487	V	93.4	Very high	93.1	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.012	11%	0.106	C	C	.	.			trans	-106.9	109.5	176.2	-174.8	0	0	0	0	110	I392 V396 L400 W406 I410 V462 V484 L485	I392-V487 HydrophobicContact CD1-CB 4.49Å; I392-V487 HydrophobicContact CD1-CG1 3.93Å; I392-V487 HydrophobicContact CG1-CG1 4.07Å; I392-V487 HydrophobicContact CG2-CG1 3.94Å; V396-V487 HydrophobicContact CG1-CG1 3.75Å; L400-V487 HydrophobicContact CD1-CG2 4.48Å; L400-V487 HydrophobicContact CD2-CG2 4.29Å; W406-V487 HydrophobicContact CZ2-CG2 4.41Å; I410-V487 HydrophobicContact CD1-CG2 3.87Å; I410-V487 HydrophobicContact CG1-CG2 3.97Å; I410-V487 HydrophobicContact CG2-CG2 3.77Å; V462-V487 WeakPolarHBondContact CG2-O 3.49Å; V484-V487 HydrophobicContact CB-CB 4.21Å; V484-V487 HydrophobicContact CB-CG2 4.29Å; V484-V487 HydrophobicContact CG1-CB 4.14Å; V484-V487 HydrophobicContact CG1-CG2 3.66Å; V484-V487 PolarHBondContact O-N 2.93Å; L485-V487 PolarHBondContact O-N 3.29Å
488	P	90.4	Very high	93	Very high	15 Å²	15	27.5 Å²	27.5	10%	0.097	13%	0.133	C	C	.	.			trans	-72.3	147.3	-178.9	30.2	-35.2	0	0	0	111.9	A621 A622 I623	P488-A621 HydrophobicContact CB-CB 4.22Å; P488-A622 WeakPolarHBondContact CB-O 3.41Å; P488-A622 WeakPolarHBondContact CG-O 3.43Å; P488-I623 HydrophobicContact CB-CG1 4.33Å
489	Y	89.5	Confident	92.7	Very high	66 Å²	66	29 Å²	29	26%	0.259	14%	0.141	S	C	.	.			trans	-128.1	-1.7	-177.6	65.8	-83.8	0	0	0	114.2	R391 V462	R391-Y489 WeakPolarHBondContact O-CB 3.06Å; V462-Y489 HydrophobicContact CG1-CE1 4.42Å
490	Q	89.7	Confident	92.5	Very high	51 Å²	51	33.9 Å²	33.9	24%	0.238	18%	0.175	C	C	.	.	S	Bend	trans	-134.3	153.9	179.6	-76.6	173.9	-6.5	0	0	111.2	I495 A622 I623	Q490-I495 HydrophobicContact CB-CD1 4.09Å; Q490-I495 HydrophobicContact CB-CG1 3.66Å; Q490-A622 WeakPolarHBondContact O-CA 3.44Å; Q490-I623 WeakPolarHBondContact O-CG1 3.44Å; Q490-I623 PolarHBondContact O-N 3.15Å
491	H	88.2	Confident	92.4	Very high	37 Å²	37	39.5 Å²	39.5	17%	0.171	20%	0.197	C	C	.	.			trans	-76.4	154.7	169.2	-63.8	-82.8	0	0	0	110.8	F493 D494 I495	H491-F493 PolarHBondContact O-N 3.32Å; H491-D494 IonicContact CD2-OD2 3.67Å; H491-D494 PolarHBondContact O-N 3.47Å; H491-D494 VanDerWaalsContact O-N 3.12Å; H491-I495 WeakPolarHBondContact O-CG1 3.02Å; H491-I495 PolarHBondContact O-N 2.99Å; H491-I495 VanDerWaalsContact O-N 3.14Å
492	M	90	Very high	92.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-52.6	-42.8	178.2	-72.7	-178.4	179.6	0	0	112.3	D494 I495 V496 L518 F530 F532 A622 N624 F626 M627	M492-D494 PolarHBondContact O-N 2.98Å; M492-I495 PolarHBondContact O-N 3.4Å; M492-V496 VanDerWaalsContact O-CG2 3.31Å; M492-V496 WeakPolarHBondContact O-CG2 3.4Å; M492-V496 PolarHBondContact O-N 3.19Å; M492-L518 HydrophobicContact CB-CB 4.45Å; M492-L518 HydrophobicContact CB-CD2 4.36Å; M492-L518 HydrophobicContact SD-CD2 4.06Å; M492-F530 HydrophobicContact CE-CB 3.8Å; M492-F530 WeakPolarHBondContact CE-O 3.49Å; M492-F530 HydrophobicContact SD-CB 4.02Å; M492-F532 HydrophobicContact SD-CB 4Å; M492-A622 HydrophobicContact CB-CB 4.27Å; M492-A622 HydrophobicContact CE-CB 4.24Å; M492-A622 HydrophobicContact CG-CB 3.35Å; M492-N624 WeakPolarHBondContact CG-OD1 3.26Å; M492-N624 PolarHBondContact N-OD1 2.93Å; M492-F626 VanDerWaalsContact CE-N 3.34Å; M492-F626 WeakPolarHBondContact CE-O 3.44Å; M492-M627 HydrophobicContact CB-CG 4.39Å; M492-M627 HydrophobicContact CB-SD 3.8Å; M492-M627 HydrophobicContact CE-CG 4.21Å; M492-M627 HydrophobicContact CG-CG 3.79Å; M492-M627 HydrophobicContact CG-SD 3.85Å; M492-M627 HydrophobicContact SD-CG 4.09Å
493	F	89.1	Confident	92.2	Very high	27 Å²	27	41.6 Å²	41.6	12%	0.118	21%	0.212	C	C	.	.	H	α-helix	trans	-62.4	-42.4	-179.9	-172.7	-100.5	0	0	0	112.8	H491 I495 V496 K497 Y506 L509 Q515 L518	H491-F493 PolarHBondContact O-N 3.32Å; F493-I495 VanDerWaalsContact C-N 3.33Å; F493-I495 PolarHBondContact O-N 3.19Å; F493-V496 PolarHBondContact O-N 2.89Å; F493-K497 WeakPolarHBondContact O-CB 3.48Å; F493-K497 PolarHBondContact O-N 3.32Å; F493-Y506 HydrophobicContact CE1-CE2 4.17Å; F493-Y506 HydrophobicContact CE2-CD2 4.5Å; F493-Y506 HydrophobicContact CE2-CE2 4.26Å; F493-Y506 HydrophobicContact CZ-CD2 4.41Å; F493-Y506 AromaticContact CZ-CE2 3.75Å; F493-Y506 HydrophobicContact CZ-CE2 3.75Å; F493-L509 HydrophobicContact CD2-CB 4.47Å; F493-L509 HydrophobicContact CE2-CB 4.13Å; F493-Q515 HydrophobicContact CD2-CB 4.18Å; F493-Q515 HydrophobicContact CE2-CB 3.76Å; F493-Q515 HydrophobicContact CZ-CB 4.14Å; F493-L518 HydrophobicContact CB-CB 4.06Å
494	D	90.1	Very high	92.1	Very high	53 Å²	53	39.8 Å²	39.8	28%	0.283	21%	0.207	S	C	.	.	H	α-helix	trans	-67.8	-35.6	179.7	-62.7	-40.4	0	0	0	112.1	H491 M492 K497 N498	H491-D494 IonicContact CD2-OD2 3.67Å; H491-D494 PolarHBondContact O-N 3.47Å; H491-D494 VanDerWaalsContact O-N 3.12Å; M492-D494 PolarHBondContact O-N 2.98Å; D494-K497 PolarHBondContact O-N 3.4Å; D494-N498 WeakPolarHBondContact O-CB 3.43Å; D494-N498 VanDerWaalsContact O-CG 3.28Å; D494-N498 PolarHBondContact O-N 3.16Å; D494-N498 VanDerWaalsContact O-N 3.12Å; D494-N498 PolarHBondContact O-ND2 2.82Å; D494-N498 VanDerWaalsContact O-ND2 3.13Å
495	I	92.1	Very high	91.9	Very high	16 Å²	16	39.5 Å²	39.5	8%	0.082	21%	0.205	C	C	.	.	H	α-helix	trans	-65.7	-48.4	175.7	-61.3	161.5	0	0	0	109.8	Q490 H491 M492 F493 K497 N498 D499 I620 A622 M627	Q490-I495 HydrophobicContact CB-CD1 4.09Å; Q490-I495 HydrophobicContact CB-CG1 3.66Å; H491-I495 WeakPolarHBondContact O-CG1 3.02Å; H491-I495 PolarHBondContact O-N 2.99Å; H491-I495 VanDerWaalsContact O-N 3.14Å; M492-I495 PolarHBondContact O-N 3.4Å; F493-I495 VanDerWaalsContact C-N 3.33Å; F493-I495 PolarHBondContact O-N 3.19Å; I495-K497 VanDerWaalsContact C-N 3.26Å; I495-K497 PolarHBondContact O-N 3.4Å; I495-N498 PolarHBondContact O-N 2.63Å; I495-N498 VanDerWaalsContact O-N 3.14Å; I495-D499 WeakPolarHBondContact O-CB 3.48Å; I495-D499 PolarHBondContact O-N 3.21Å; I495-I620 HydrophobicContact CD1-CG2 4.05Å; I495-I620 HydrophobicContact CG2-CD1 4.25Å; I495-I620 HydrophobicContact CG2-CG2 4.04Å; I495-A622 HydrophobicContact CD1-CB 3.83Å; I495-M627 HydrophobicContact CB-CE 3.61Å; I495-M627 HydrophobicContact CD1-CE 3.79Å; I495-M627 HydrophobicContact CG1-CE 4.31Å; I495-M627 HydrophobicContact CG2-CE 3.35Å
496	V	92.7	Very high	91.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.1	-37.8	178.2	172.3	0	0	0	0	111.4	M492 F493 L502 T505 L509 F532 V534 M627	M492-V496 VanDerWaalsContact O-CG2 3.31Å; M492-V496 WeakPolarHBondContact O-CG2 3.4Å; M492-V496 PolarHBondContact O-N 3.19Å; F493-V496 PolarHBondContact O-N 2.89Å; V496-L502 HydrophobicContact CG1-CB 4.19Å; V496-L502 HydrophobicContact CG2-CD1 4.15Å; V496-T505 HydrophobicContact CG1-CG2 4.25Å; V496-L509 HydrophobicContact CG1-CD1 4.07Å; V496-F532 HydrophobicContact CG2-CE1 4.42Å; V496-V534 HydrophobicContact CG2-CG1 4.31Å; V496-M627 HydrophobicContact CG2-SD 3.93Å
497	K	91.4	Very high	91.7	Very high	115 Å²	115	46.5 Å²	46.5	50%	0.5	23%	0.234	S	C	.	.	H	α-helix	trans	-63.4	-39.1	175.5	179.6	-179	176.4	-174.3	0	113.2	F493 D494 I495 Y506	F493-K497 WeakPolarHBondContact O-CB 3.48Å; F493-K497 PolarHBondContact O-N 3.32Å; D494-K497 PolarHBondContact O-N 3.4Å; I495-K497 VanDerWaalsContact C-N 3.26Å; I495-K497 PolarHBondContact O-N 3.4Å; K497-Y506 HydrophobicContact CB-CD2 3.78Å; K497-Y506 HydrophobicContact CB-CE2 3.6Å; K497-Y506 HydrophobicContact CD-CE2 4.19Å; K497-Y506 HydrophobicContact CG-CD2 4.23Å; K497-Y506 HydrophobicContact CG-CE1 4.49Å; K497-Y506 HydrophobicContact CG-CE2 3.68Å
498	N	91.8	Very high	91.4	Very high	109 Å²	109	46.4 Å²	46.4	58%	0.583	23%	0.233	S	C	*	.	H	α-helix	trans	-91.2	-18.5	-172.3	-69	-27.5	0	0	0	113.8	D494 I495	D494-N498 WeakPolarHBondContact O-CB 3.43Å; D494-N498 VanDerWaalsContact O-CG 3.28Å; D494-N498 PolarHBondContact O-N 3.16Å; D494-N498 VanDerWaalsContact O-N 3.12Å; D494-N498 PolarHBondContact O-ND2 2.82Å; D494-N498 VanDerWaalsContact O-ND2 3.13Å; I495-N498 PolarHBondContact O-N 2.63Å; I495-N498 VanDerWaalsContact O-N 3.14Å
499	D	92	Very high	91.3	Very high	31 Å²	31	45.7 Å²	45.7	17%	0.166	23%	0.229	C	C	.	.			trans	-85.6	116.7	179	-165.8	-33.2	0	0	0	111.1	I495 R501 L502	I495-D499 WeakPolarHBondContact O-CB 3.48Å; I495-D499 PolarHBondContact O-N 3.21Å; D499-R501 PolarHBondContact O-N 3.39Å; D499-R501 VanDerWaalsContact O-N 3.12Å; D499-R501 WeakPolarHBondContact OD1-CB 3.43Å; D499-R501 WeakPolarHBondContact OD1-CG 3.4Å; D499-R501 IonicContact OD1-CZ 3.57Å; D499-R501 PolarHBondContact OD1-N 3.26Å; D499-R501 IonicContact OD1-NE 2.64Å; D499-R501 PolarHBondContact OD1-NE 3.26Å; D499-R501 IonicContact OD1-NH2 2.95Å; D499-R501 IonicContact OD2-CZ 3.87Å; D499-R501 IonicContact OD2-NE 2.76Å; D499-R501 PolarHBondContact OD2-NE 3.31Å; D499-R501 IonicContact OD2-NH2 2.95Å; D499-R501 PolarHBondContact OD2-NH2 2.91Å; D499-L502 HydrophobicContact CB-CB 4.34Å; D499-L502 HydrophobicContact CB-CD1 3.93Å; D499-L502 HydrophobicContact CB-CG 4.05Å; D499-L502 PolarHBondContact O-N 3.24Å
500	S	92.7	Very high	90.8	Very high	102 Å²	102	44.3 Å²	44.3	71%	0.713	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-63.1	-19.2	-178.9	62.6	0	0	0	0	114	L502	S500-L502 VanDerWaalsContact C-N 3.25Å
501	R	93.9	Very high	89.9	Confident	124 Å²	124	47.5 Å²	47.5	47%	0.468	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-81	-8.2	178.6	-56.3	171.5	-65.7	167.9	3.2	112.9	D499 D537	D499-R501 PolarHBondContact O-N 3.39Å; D499-R501 VanDerWaalsContact O-N 3.12Å; D499-R501 WeakPolarHBondContact OD1-CB 3.43Å; D499-R501 WeakPolarHBondContact OD1-CG 3.4Å; D499-R501 IonicContact OD1-CZ 3.57Å; D499-R501 PolarHBondContact OD1-N 3.26Å; D499-R501 IonicContact OD1-NE 2.64Å; D499-R501 PolarHBondContact OD1-NE 3.26Å; D499-R501 IonicContact OD1-NH2 2.95Å; D499-R501 IonicContact OD2-CZ 3.87Å; D499-R501 IonicContact OD2-NE 2.76Å; D499-R501 PolarHBondContact OD2-NE 3.31Å; D499-R501 IonicContact OD2-NH2 2.95Å; D499-R501 PolarHBondContact OD2-NH2 2.91Å; R501-D537 VanDerWaalsContact O-CG 3.26Å; R501-D537 PolarHBondContact O-N 3.18Å
502	L	95.2	Very high	89	Confident	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-117.9	19.4	-172.9	-57.4	-177.9	0	0	0	111.9	V496 D499 S500 T504 T505 Y506 V534 T536 L629	V496-L502 HydrophobicContact CG1-CB 4.19Å; V496-L502 HydrophobicContact CG2-CD1 4.15Å; D499-L502 HydrophobicContact CB-CB 4.34Å; D499-L502 HydrophobicContact CB-CD1 3.93Å; D499-L502 HydrophobicContact CB-CG 4.05Å; D499-L502 PolarHBondContact O-N 3.24Å; S500-L502 VanDerWaalsContact C-N 3.25Å; L502-T504 VanDerWaalsContact C-N 3.34Å; L502-T504 PolarHBondContact O-N 3.38Å; L502-T505 PolarHBondContact O-N 2.83Å; L502-Y506 WeakPolarHBondContact O-CB 3.29Å; L502-Y506 PolarHBondContact O-N 3.08Å; L502-V534 HydrophobicContact CD1-CG1 4.15Å; L502-V534 HydrophobicContact CD2-CG1 3.89Å; L502-T536 HydrophobicContact CD2-CG2 4.25Å; L502-L629 HydrophobicContact CD1-CD2 4.05Å; L502-L629 HydrophobicContact CD2-CD2 3.82Å; L502-L629 HydrophobicContact CG-CD2 4.48Å
503	S	94.5	Very high	88.1	Confident	56 Å²	56	53 Å²	53	39%	0.392	27%	0.273	S	S	.	.	H	α-helix	trans	-61.6	-39.8	-173	67.5	0	0	0	0	112.6	Y506 L507 D537	S503-Y506 WeakPolarHBondContact O-CB 3.43Å; S503-Y506 PolarHBondContact O-N 3.5Å; S503-L507 WeakPolarHBondContact O-CG 3.44Å; S503-L507 PolarHBondContact O-N 3.2Å; S503-D537 WeakPolarHBondContact CB-OD2 3.43Å; S503-D537 PolarHBondContact N-OD1 3.19Å; S503-D537 PolarHBondContact N-OD2 3.43Å; S503-D537 VanDerWaalsContact N-OD2 3.11Å; S503-D537 VanDerWaalsContact OG-CG 3.26Å; S503-D537 PolarHBondContact OG-OD1 3.3Å; S503-D537 PolarHBondContact OG-OD2 3.07Å
504	T	93.2	Very high	87.2	Confident	11 Å²	11	51.9 Å²	51.9	7%	0.067	27%	0.268	C	S	.	.	H	α-helix	trans	-69	-41.1	176.7	-52.1	0	0	0	0	111.4	L502 Y506 L507 A508 D537 W540 R548 F552	L502-T504 VanDerWaalsContact C-N 3.34Å; L502-T504 PolarHBondContact O-N 3.38Å; T504-Y506 VanDerWaalsContact C-N 3.32Å; T504-L507 PolarHBondContact O-N 3.47Å; T504-A508 PolarHBondContact O-N 3.37Å; T504-D537 WeakPolarHBondContact CA-OD1 3.21Å; T504-D537 WeakPolarHBondContact CB-OD1 3.46Å; T504-D537 PolarHBondContact N-OD1 2.81Å; T504-D537 PolarHBondContact OG1-OD1 3.19Å; T504-W540 HydrophobicContact CG2-CB 3.76Å; T504-W540 HydrophobicContact CG2-CD2 3.74Å; T504-W540 HydrophobicContact CG2-CE3 4.37Å; T504-W540 HydrophobicContact CG2-CG 3.4Å; T504-W540 VanDerWaalsContact CG2-CG 3.4Å; T504-R548 PolarHBondContact OG1-NH2 2.72Å; T504-F552 HydrophobicContact CG2-CE1 4.18Å; T504-F552 HydrophobicContact CG2-CE2 4.09Å; T504-F552 HydrophobicContact CG2-CZ 3.58Å
505	T	93.3	Very high	86.2	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.9	-36.8	175.9	-64.7	0	0	0	0	111.3	V496 L502 A508 L509 F532 V534 P535 W540 M564	V496-T505 HydrophobicContact CG1-CG2 4.25Å; L502-T505 PolarHBondContact O-N 2.83Å; T505-A508 WeakPolarHBondContact O-CB 3.38Å; T505-A508 PolarHBondContact O-N 2.99Å; T505-L509 HydrophobicContact CG2-CD1 4.12Å; T505-L509 HydrophobicContact CG2-CG 4.47Å; T505-L509 WeakPolarHBondContact O-CG 3.5Å; T505-L509 PolarHBondContact O-N 3.46Å; T505-F532 HydrophobicContact CG2-CZ 4.17Å; T505-V534 HydrophobicContact CG2-CG1 3.67Å; T505-P535 PolarHBondContact OG1-O 3.48Å; T505-W540 PolarHBondContact OG1-NE1 2.85Å; T505-M564 HydrophobicContact CG2-CE 3.71Å
506	Y	92	Very high	85.1	Confident	67 Å²	67	58.8 Å²	58.8	26%	0.263	29%	0.292	S	S	.	.	H	α-helix	trans	-59.8	-47.3	171.7	175.6	-112.4	0	0	0	111.8	F493 K497 L502 S503 T504 A508 L509 S510	F493-Y506 HydrophobicContact CE1-CE2 4.17Å; F493-Y506 HydrophobicContact CE2-CD2 4.5Å; F493-Y506 HydrophobicContact CE2-CE2 4.26Å; F493-Y506 HydrophobicContact CZ-CD2 4.41Å; F493-Y506 AromaticContact CZ-CE2 3.75Å; F493-Y506 HydrophobicContact CZ-CE2 3.75Å; K497-Y506 HydrophobicContact CB-CD2 3.78Å; K497-Y506 HydrophobicContact CB-CE2 3.6Å; K497-Y506 HydrophobicContact CD-CE2 4.19Å; K497-Y506 HydrophobicContact CG-CD2 4.23Å; K497-Y506 HydrophobicContact CG-CE1 4.49Å; K497-Y506 HydrophobicContact CG-CE2 3.68Å; L502-Y506 WeakPolarHBondContact O-CB 3.29Å; L502-Y506 PolarHBondContact O-N 3.08Å; S503-Y506 WeakPolarHBondContact O-CB 3.43Å; S503-Y506 PolarHBondContact O-N 3.5Å; T504-Y506 VanDerWaalsContact C-N 3.32Å; Y506-A508 VanDerWaalsContact C-N 3.26Å; Y506-A508 PolarHBondContact O-N 3.23Å; Y506-L509 PolarHBondContact O-N 2.92Å; Y506-L509 VanDerWaalsContact O-N 3.13Å; Y506-S510 WeakPolarHBondContact O-CB 3.45Å; Y506-S510 PolarHBondContact O-N 3.06Å; Y506-S510 PolarHBondContact O-OG 3Å
507	L	89.6	Confident	84	Confident	95 Å²	95	61.2 Å²	61.2	50%	0.497	31%	0.307	S	S	.	.	H	α-helix	trans	-61.2	-34	175.1	-70.1	174.2	0	0	0	112.8	S503 T504 S510 F552	S503-L507 WeakPolarHBondContact O-CG 3.44Å; S503-L507 PolarHBondContact O-N 3.2Å; T504-L507 PolarHBondContact O-N 3.47Å; L507-S510 PolarHBondContact O-OG 3Å; L507-S510 VanDerWaalsContact O-OG 3.14Å; L507-F552 HydrophobicContact CB-CE1 4.27Å
508	A	88.3	Confident	83.1	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-65.3	-45.8	173.9	0	0	0	0	0	110.5	T504 T505 Y506 M512 W540 F552 L560 M564	T504-A508 PolarHBondContact O-N 3.37Å; T505-A508 WeakPolarHBondContact O-CB 3.38Å; T505-A508 PolarHBondContact O-N 2.99Å; Y506-A508 VanDerWaalsContact C-N 3.26Å; Y506-A508 PolarHBondContact O-N 3.23Å; A508-M512 HydrophobicContact CB-CE 4.49Å; A508-M512 WeakPolarHBondContact O-CE 3.44Å; A508-M512 WeakPolarHBondContact O-CG 3.36Å; A508-M512 VanDerWaalsContact O-SD 3.39Å; A508-W540 HydrophobicContact CB-CZ2 4.43Å; A508-F552 HydrophobicContact CB-CE1 3.91Å; A508-F552 HydrophobicContact CB-CZ 4Å; A508-L560 HydrophobicContact CB-CD1 4.46Å; A508-L560 HydrophobicContact CB-CD2 3.89Å; A508-L560 HydrophobicContact CB-CG 4.28Å; A508-M564 HydrophobicContact CB-CG 4.26Å; A508-M564 HydrophobicContact CB-SD 4.09Å
509	L	87.4	Confident	82.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-74.3	-32.4	-176.2	-66.9	171	0	0	0	114.1	F493 V496 T505 Y506 N511 M512 L514 L518 F532 M564	F493-L509 HydrophobicContact CD2-CB 4.47Å; F493-L509 HydrophobicContact CE2-CB 4.13Å; V496-L509 HydrophobicContact CG1-CD1 4.07Å; T505-L509 HydrophobicContact CG2-CD1 4.12Å; T505-L509 HydrophobicContact CG2-CG 4.47Å; T505-L509 WeakPolarHBondContact O-CG 3.5Å; T505-L509 PolarHBondContact O-N 3.46Å; Y506-L509 PolarHBondContact O-N 2.92Å; Y506-L509 VanDerWaalsContact O-N 3.13Å; L509-N511 PolarHBondContact O-N 3.37Å; L509-M512 PolarHBondContact O-N 3.13Å; L509-M512 VanDerWaalsContact O-N 3.15Å; L509-L514 HydrophobicContact CD2-CB 4.24Å; L509-L514 HydrophobicContact CD2-CD2 4.16Å; L509-L518 HydrophobicContact CD1-CD1 3.55Å; L509-L518 HydrophobicContact CD2-CD1 3.64Å; L509-L518 HydrophobicContact CG-CD1 4.18Å; L509-F532 HydrophobicContact CD1-CE1 4.04Å; L509-F532 HydrophobicContact CD1-CZ 4.25Å; L509-M564 HydrophobicContact CD2-CB 4.36Å; L509-M564 HydrophobicContact CD2-CE 4Å; L509-M564 HydrophobicContact CD2-CG 4.37Å; L509-M564 HydrophobicContact CG-CE 4.28Å
510	S	79.5	Confident	80.8	Confident	36 Å²	36	51.8 Å²	51.8	25%	0.252	27%	0.267	S	S	.	.	H	α-helix	trans	-63.3	-27.5	-173.8	62.7	0	0	0	0	114	Y506 L507 M512 Q515	Y506-S510 WeakPolarHBondContact O-CB 3.45Å; Y506-S510 PolarHBondContact O-N 3.06Å; Y506-S510 PolarHBondContact O-OG 3Å; L507-S510 PolarHBondContact O-OG 3Å; L507-S510 VanDerWaalsContact O-OG 3.14Å; S510-M512 VanDerWaalsContact C-N 3.33Å; S510-Q515 PolarHBondContact O-OE1 2.99Å
511	N	70.9	Confident	79	Confident	118 Å²	118	57.2 Å²	57.2	63%	0.631	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	9.7	179.9	-69	-41.9	0	0	0	113.6	L509	L509-N511 PolarHBondContact O-N 3.37Å
512	M	70.1	Confident	77.5	Confident	7 Å²	7	54.7 Å²	54.7	3%	0.034	27%	0.265	C	S	.	.	S	Bend	trans	-124.4	153.6	-170.4	-61.3	177.3	-167.9	0	0	113.3	A508 L509 S510 L514 Q515 L560 Q561 M564	A508-M512 HydrophobicContact CB-CE 4.49Å; A508-M512 WeakPolarHBondContact O-CE 3.44Å; A508-M512 WeakPolarHBondContact O-CG 3.36Å; A508-M512 VanDerWaalsContact O-SD 3.39Å; L509-M512 PolarHBondContact O-N 3.13Å; L509-M512 VanDerWaalsContact O-N 3.15Å; S510-M512 VanDerWaalsContact C-N 3.33Å; M512-L514 HydrophobicContact CB-CB 4.1Å; M512-L514 PolarHBondContact O-N 2.7Å; M512-L514 VanDerWaalsContact O-N 3.08Å; M512-Q515 VanDerWaalsContact O-CG 3.3Å; M512-Q515 WeakPolarHBondContact O-CG 3.4Å; M512-Q515 PolarHBondContact O-N 3.25Å; M512-L560 VanDerWaalsContact CE-C 3.43Å; M512-L560 HydrophobicContact CE-CB 3.57Å; M512-L560 HydrophobicContact CE-CD2 3.63Å; M512-L560 HydrophobicContact CE-CG 3.29Å; M512-Q561 HydrophobicContact CB-CG 4.42Å; M512-Q561 HydrophobicContact CE-CB 4.3Å; M512-Q561 HydrophobicContact CG-CB 4.2Å; M512-Q561 HydrophobicContact CG-CG 4.3Å; M512-Q561 WeakPolarHBondContact SD-CA 3.29Å; M512-Q561 HydrophobicContact SD-CB 3.77Å; M512-Q561 HydrophobicContact SD-CG 3.92Å; M512-M564 HydrophobicContact CE-CG 3.97Å; M512-M564 HydrophobicContact SD-CB 4.31Å; M512-M564 HydrophobicContact SD-CG 4.14Å
513	Q	71.1	Confident	75.8	Confident	145 Å²	145	56.6 Å²	56.6	68%	0.678	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-15.9	165.2	-68.1	173.5	-11.1	0	0	113	Q515 Y516	Q513-Q515 PolarHBondContact O-N 2.98Å; Q513-Y516 PolarHBondContact O-N 3.34Å
514	L	69.7	Low	74.1	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.021	27%	0.268	C	S	.	.	H	α-helix	trans	-61.2	-24.5	176	-108.8	91.5	0	0	0	113.5	L509 M512 Y516 T517 L518 Q561 M564 K565 L568	L509-L514 HydrophobicContact CD2-CB 4.24Å; L509-L514 HydrophobicContact CD2-CD2 4.16Å; M512-L514 HydrophobicContact CB-CB 4.1Å; M512-L514 PolarHBondContact O-N 2.7Å; M512-L514 VanDerWaalsContact O-N 3.08Å; L514-Y516 PolarHBondContact O-N 3.49Å; L514-T517 WeakPolarHBondContact O-CB 3.43Å; L514-T517 PolarHBondContact O-N 3.38Å; L514-L518 PolarHBondContact O-N 3.39Å; L514-Q561 HydrophobicContact CD1-CG 3.43Å; L514-Q561 VanDerWaalsContact CD1-CG 3.43Å; L514-M564 HydrophobicContact CD2-CB 4.21Å; L514-K565 HydrophobicContact CD1-CD 4.25Å; L514-K565 HydrophobicContact CD1-CG 3.6Å; L514-K565 HydrophobicContact CD2-CG 4.37Å; L514-L568 HydrophobicContact CD2-CD2 4.3Å
515	Q	69.1	Low	72.7	Confident	51 Å²	51	57.3 Å²	57.3	24%	0.238	28%	0.275	C	S	.	.	H	α-helix	trans	-54.3	-39	176.6	71.5	-173.9	-3.6	0	0	111.8	F493 S510 M512 Q513 L518 S519	F493-Q515 HydrophobicContact CD2-CB 4.18Å; F493-Q515 HydrophobicContact CE2-CB 3.76Å; F493-Q515 HydrophobicContact CZ-CB 4.14Å; S510-Q515 PolarHBondContact O-OE1 2.99Å; M512-Q515 VanDerWaalsContact O-CG 3.3Å; M512-Q515 WeakPolarHBondContact O-CG 3.4Å; M512-Q515 PolarHBondContact O-N 3.25Å; Q513-Q515 PolarHBondContact O-N 2.98Å; Q515-L518 PolarHBondContact O-N 2.64Å; Q515-S519 PolarHBondContact O-N 2.96Å
516	Y	68.4	Low	71.2	Confident	163 Å²	163	61.1 Å²	61.1	64%	0.639	30%	0.302	S	S	*	.	H	α-helix	trans	-74.1	-26.9	179.3	-57.4	-69.3	0	0	0	112.5	Q513 L514 S519	Q513-Y516 PolarHBondContact O-N 3.34Å; L514-Y516 PolarHBondContact O-N 3.49Å; Y516-S519 CarbonylContact O-C 3.37Å
517	T	69.7	Low	70	Confident	51 Å²	51	66 Å²	66	31%	0.313	32%	0.32	S	S	.	.	H	α-helix	trans	-74.2	-37.8	174.5	-49.9	0	0	0	0	111.6	L514 F530 L568	L514-T517 WeakPolarHBondContact O-CB 3.43Å; L514-T517 PolarHBondContact O-N 3.38Å; T517-F530 HydrophobicContact CG2-CE1 3.77Å; T517-F530 HydrophobicContact CG2-CE2 4.4Å; T517-F530 HydrophobicContact CG2-CZ 3.53Å; T517-L568 HydrophobicContact CG2-CD2 4.47Å
518	L	72.4	Confident	69.3	Low	1 Å²	1	63.2 Å²	63.2	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-81.9	-15.4	179.9	-65.4	176.9	0	0	0	113.4	M492 F493 L509 L514 Q515 F532 L568 N624	M492-L518 HydrophobicContact CB-CB 4.45Å; M492-L518 HydrophobicContact CB-CD2 4.36Å; M492-L518 HydrophobicContact SD-CD2 4.06Å; F493-L518 HydrophobicContact CB-CB 4.06Å; L509-L518 HydrophobicContact CD1-CD1 3.55Å; L509-L518 HydrophobicContact CD2-CD1 3.64Å; L509-L518 HydrophobicContact CG-CD1 4.18Å; L514-L518 PolarHBondContact O-N 3.39Å; Q515-L518 PolarHBondContact O-N 2.64Å; L518-F532 HydrophobicContact CD1-CE1 4.17Å; L518-F532 HydrophobicContact CD2-CD1 4.31Å; L518-L568 HydrophobicContact CD2-CD1 3.95Å; L518-L568 HydrophobicContact CD2-CD2 4.33Å; L518-N624 PolarHBondContact O-ND2 2.83Å
519	S	73.4	Confident	69.2	Low	46 Å²	46	65.3 Å²	65.3	32%	0.322	32%	0.316	S	S	.	.	S	Bend	trans	-125.1	70.6	170.1	-166.7	0	0	0	0	110.3	Q515 Y516	Q515-S519 PolarHBondContact O-N 2.96Å; Y516-S519 CarbonylContact O-C 3.37Å
520	P	61.5	Low	69.3	Low	10 Å²	10	65.4 Å²	65.4	7%	0.065	32%	0.316	C	S	.	.			trans	-69.8	143.6	179.7	30.2	-34.3	0	0	0	110.5	E522 H528 N624	P520-E522 VanDerWaalsContact C-N 3.26Å; P520-E522 PolarHBondContact O-N 2.99Å; P520-H528 HydrophobicContact CG-CB 4.5Å; P520-N624 HydrophobicContact CG-CB 4.23Å
521	W	56.3	Low	69.9	Low	217 Å²	217	63.7 Å²	63.7	82%	0.822	30%	0.304	S	S	*	.	S	Bend	trans	-66.9	-31.8	174.7	89.8	87.8	0	0	0	111.7
522	E	61.2	Low	71	Confident	70 Å²	70	58 Å²	58	33%	0.327	27%	0.274	S	S	.	.	S	Bend	trans	-89.1	122.8	172.7	-90.8	175.5	-152.5	0	0	111.1	P520 N525 H528	P520-E522 VanDerWaalsContact C-N 3.26Å; P520-E522 PolarHBondContact O-N 2.99Å; E522-N525 PolarHBondContact OE2-ND2 3.14Å; E522-N525 VanDerWaalsContact OE2-ND2 3.12Å; E522-H528 IonicContact OE2-CE1 3.66Å
523	V	60.9	Low	72.3	Confident	40 Å²	40	57.7 Å²	57.7	24%	0.242	27%	0.272	C	S	.	.			trans	-101.1	144.8	-179.9	164.7	0	0	0	0	110.1	P395 V396 N525 I623	P395-V523 HydrophobicContact CB-CG1 4.19Å; V396-V523 HydrophobicContact CG2-CG1 4.2Å; V523-N525 VanDerWaalsContact C-N 3.33Å; V523-N525 PolarHBondContact O-N 3.27Å; V523-I623 HydrophobicContact CB-CG2 4.03Å; V523-I623 HydrophobicContact CG1-CG2 3.16Å; V523-I623 HydrophobicContact CG2-CG2 3.79Å
524	L	58.2	Low	73.4	Confident	42 Å²	42	50.8 Å²	50.8	22%	0.22	24%	0.24	C	C	.	.	S	Bend	trans	65.7	17.8	172.9	-57.5	157.3	0	0	0	117.2	P395 V396 R399	P395-L524 WeakPolarHBondContact O-CD1 3.34Å; V396-L524 HydrophobicContact CB-CD1 4.41Å; V396-L524 HydrophobicContact CG2-CD1 4.08Å; R399-L524 HydrophobicContact CB-CD1 3.95Å
525	N	63.5	Low	74.7	Confident	40 Å²	40	50.6 Å²	50.6	21%	0.214	24%	0.239	C	C	.	.			trans	-84.8	133.7	171.3	-170.2	-12.2	0	0	0	109.4	E522 V523 R527 H528	E522-N525 PolarHBondContact OE2-ND2 3.14Å; E522-N525 VanDerWaalsContact OE2-ND2 3.12Å; V523-N525 VanDerWaalsContact C-N 3.33Å; V523-N525 PolarHBondContact O-N 3.27Å; N525-R527 PolarHBondContact O-N 2.91Å; N525-R527 VanDerWaalsContact O-N 3.15Å; N525-H528 WeakPolarHBondContact CB-ND1 3.39Å; N525-H528 CarbonylContact O-C 3.44Å; N525-H528 WeakPolarHBondContact O-CA 3.44Å; N525-H528 PolarHBondContact O-N 3.38Å
526	S	61.8	Low	76.1	Confident	81 Å²	81	48.5 Å²	48.5	57%	0.566	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-59.2	-30	-175.5	56.9	0	0	0	0	113.1	H528 N529	S526-H528 PolarHBondContact O-N 2.9Å; S526-N529 WeakPolarHBondContact O-CB 3.12Å; S526-N529 PolarHBondContact O-N 3.36Å
527	R	67.3	Low	77.4	Confident	169 Å²	169	42 Å²	42	64%	0.638	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-63.9	-20.5	173.2	-62.9	-173	-66.8	-165.6	2.6	113.6	N525	N525-R527 PolarHBondContact O-N 2.91Å; N525-R527 VanDerWaalsContact O-N 3.15Å
528	H	74.8	Confident	78.7	Confident	37 Å²	37	45.4 Å²	45.4	17%	0.171	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-109.4	19.1	-179.3	-54.7	120.6	0	0	0	112.2	P520 E522 N525 S526 F530 N624	P520-H528 HydrophobicContact CG-CB 4.5Å; E522-H528 IonicContact OE2-CE1 3.66Å; N525-H528 WeakPolarHBondContact CB-ND1 3.39Å; N525-H528 CarbonylContact O-C 3.44Å; N525-H528 WeakPolarHBondContact O-CA 3.44Å; N525-H528 PolarHBondContact O-N 3.38Å; S526-H528 PolarHBondContact O-N 2.9Å; H528-F530 HydrophobicContact CB-CE2 4.2Å; H528-F530 WeakPolarHBondContact O-CD2 3.44Å; H528-F530 VanDerWaalsContact O-CE2 3.24Å; H528-F530 WeakPolarHBondContact O-CE2 3.36Å; H528-N624 WeakPolarHBondContact O-CB 3.36Å
529	N	85.7	Confident	79.8	Confident	44 Å²	44	45.3 Å²	45.3	24%	0.235	22%	0.218	C	C	.	.			trans	-79.5	128.9	167.7	-76.8	-12.6	0	0	0	109.7	S526 G571 V572 A573 N624	S526-N529 WeakPolarHBondContact O-CB 3.12Å; S526-N529 PolarHBondContact O-N 3.36Å; N529-G571 CarbonylContact O-C 3.59Å; N529-G571 WeakPolarHBondContact O-CA 3.4Å; N529-G571 PolarHBondContact O-N 3.16Å; N529-V572 PolarHBondContact O-N 3.49Å; N529-A573 HydrophobicContact CB-CB 3.96Å; N529-N624 CarbonylContact C-O 3.48Å
530	F	89.1	Confident	80.9	Confident	1 Å²	1	43.1 Å²	43.1	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	149.1	-179.8	-62.1	-80.8	0	0	0	111.8	M492 T517 H528 L568 I569 Q570 V572 N624 G625 F626	M492-F530 HydrophobicContact CE-CB 3.8Å; M492-F530 WeakPolarHBondContact CE-O 3.49Å; M492-F530 HydrophobicContact SD-CB 4.02Å; T517-F530 HydrophobicContact CG2-CE1 3.77Å; T517-F530 HydrophobicContact CG2-CE2 4.4Å; T517-F530 HydrophobicContact CG2-CZ 3.53Å; H528-F530 HydrophobicContact CB-CE2 4.2Å; H528-F530 WeakPolarHBondContact O-CD2 3.44Å; H528-F530 VanDerWaalsContact O-CE2 3.24Å; H528-F530 WeakPolarHBondContact O-CE2 3.36Å; F530-L568 HydrophobicContact CB-CD1 3.87Å; F530-L568 HydrophobicContact CD1-CD1 3.83Å; F530-L568 HydrophobicContact CD1-CD2 3.92Å; F530-L568 HydrophobicContact CD1-CG 3.91Å; F530-L568 HydrophobicContact CE1-CD2 4.13Å; F530-L568 HydrophobicContact CG-CD1 4.13Å; F530-I569 CarbonylContact C-O 3.52Å; F530-I569 VanDerWaalsContact CA-O 3.27Å; F530-I569 WeakPolarHBondContact CA-O 3.31Å; F530-Q570 HydrophobicContact CD1-CB 4.05Å; F530-Q570 HydrophobicContact CD1-CG 4.15Å; F530-Q570 HydrophobicContact CE1-CB 3.84Å; F530-Q570 HydrophobicContact CE1-CG 3.54Å; F530-Q570 HydrophobicContact CZ-CG 4.29Å; F530-V572 CarbonylContact C-O 3.58Å; F530-V572 VanDerWaalsContact C-O 3.25Å; F530-N624 HydrophobicContact CD2-CB 4.16Å; F530-N624 PolarHBondContact N-O 3.38Å; F530-G625 VanDerWaalsContact O-CA 3.3Å; F530-G625 WeakPolarHBondContact O-CA 3.37Å; F530-F626 PolarHBondContact O-N 2.97Å
531	T	93.2	Very high	82.5	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	116.8	160	-53.4	0	0	0	0	107.2	F533 I569 V572 L574 F626	T531-F533 HydrophobicContact CG2-CE2 4.05Å; T531-F533 HydrophobicContact CG2-CZ 4.11Å; T531-I569 PolarHBondContact N-O 2.77Å; T531-I569 PolarHBondContact O-N 2.81Å; T531-V572 PolarHBondContact N-O 3.23Å; T531-V572 VanDerWaalsContact N-O 3.12Å; T531-V572 PolarHBondContact OG1-O 2.8Å; T531-L574 HydrophobicContact CG2-CB 4.03Å; T531-L574 PolarHBondContact OG1-N 3.07Å; T531-F626 CarbonylContact C-O 3.58Å; T531-F626 WeakPolarHBondContact CA-O 3.38Å
532	F	94	Very high	84.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	114.6	-177.4	-174.9	-155.2	0	0	0	110	M492 V496 T505 L509 L518 V534 M564 H567 L568 F626 M627 H628	M492-F532 HydrophobicContact SD-CB 4Å; V496-F532 HydrophobicContact CG2-CE1 4.42Å; T505-F532 HydrophobicContact CG2-CZ 4.17Å; L509-F532 HydrophobicContact CD1-CE1 4.04Å; L509-F532 HydrophobicContact CD1-CZ 4.25Å; L518-F532 HydrophobicContact CD1-CE1 4.17Å; L518-F532 HydrophobicContact CD2-CD1 4.31Å; F532-V534 HydrophobicContact CB-CG2 4.22Å; F532-V534 HydrophobicContact CD1-CG2 3.41Å; F532-V534 VanDerWaalsContact CD1-CG2 3.41Å; F532-V534 HydrophobicContact CD2-CG2 4.24Å; F532-V534 HydrophobicContact CE1-CB 4.35Å; F532-V534 HydrophobicContact CE1-CG1 4.03Å; F532-V534 HydrophobicContact CE1-CG2 3.65Å; F532-V534 HydrophobicContact CE2-CG2 4.44Å; F532-V534 HydrophobicContact CG-CG2 3.71Å; F532-V534 HydrophobicContact CZ-CB 4.5Å; F532-V534 HydrophobicContact CZ-CG1 4.19Å; F532-V534 HydrophobicContact CZ-CG2 4.15Å; F532-V534 WeakPolarHBondContact O-CG2 3.41Å; F532-V534 PolarHBondContact O-N 2.9Å; F532-M564 HydrophobicContact CE2-CE 3.82Å; F532-M564 HydrophobicContact CZ-CE 3.48Å; F532-M564 VanDerWaalsContact CZ-CE 3.48Å; F532-H567 HydrophobicContact CD2-CB 4.21Å; F532-H567 HydrophobicContact CE2-CB 3.88Å; F532-L568 HydrophobicContact CB-CD1 3.72Å; F532-L568 HydrophobicContact CD2-CB 4.41Å; F532-L568 HydrophobicContact CD2-CD1 4.14Å; F532-L568 HydrophobicContact CG-CD1 4Å; F532-F626 PolarHBondContact N-O 3.1Å; F532-M627 HydrophobicContact CB-CG 4.24Å; F532-M627 HydrophobicContact CD1-CG 4.43Å; F532-M627 HydrophobicContact CD1-SD 4.21Å; F532-M627 CarbonylContact O-C 3.53Å; F532-M627 VanDerWaalsContact O-CA 3.23Å; F532-M627 WeakPolarHBondContact O-CA 3.37Å; F532-H628 PolarHBondContact O-N 2.74Å
533	F	96.2	Very high	85.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	96.7	172.9	-66.7	-77.2	0	0	0	108.9	T531 P535 H567 I569 L579 V585 M587 L603 L614 H628 I630	T531-F533 HydrophobicContact CG2-CE2 4.05Å; T531-F533 HydrophobicContact CG2-CZ 4.11Å; F533-P535 WeakPolarHBondContact O-CD 3.37Å; F533-H567 PolarHBondContact N-O 2.98Å; F533-H567 WeakPolarHBondContact O-CB 3.42Å; F533-H567 PolarHBondContact O-CD2 3.18Å; F533-I569 HydrophobicContact CE2-CD1 3.75Å; F533-I569 HydrophobicContact CE2-CG1 4.34Å; F533-L579 HydrophobicContact CE1-CD1 4.21Å; F533-L579 HydrophobicContact CZ-CD1 4.5Å; F533-L579 HydrophobicContact CZ-CD2 4.14Å; F533-V585 HydrophobicContact CE2-CG2 4.36Å; F533-M587 HydrophobicContact CB-CE 4.21Å; F533-M587 HydrophobicContact CD2-CE 3.46Å; F533-M587 VanDerWaalsContact CD2-CE 3.46Å; F533-M587 HydrophobicContact CD2-SD 3.77Å; F533-M587 HydrophobicContact CE2-CE 4.19Å; F533-M587 HydrophobicContact CE2-SD 3.89Å; F533-M587 HydrophobicContact CG-CE 4.17Å; F533-L603 HydrophobicContact CB-CD1 4.28Å; F533-L603 HydrophobicContact CD1-CD1 3.47Å; F533-L603 VanDerWaalsContact CD1-CD1 3.47Å; F533-L603 HydrophobicContact CD2-CD1 4.31Å; F533-L603 HydrophobicContact CE1-CD1 3.74Å; F533-L603 HydrophobicContact CE1-CD2 4.13Å; F533-L603 HydrophobicContact CE1-CG 4.46Å; F533-L603 HydrophobicContact CG-CD1 3.77Å; F533-L603 HydrophobicContact CZ-CD1 4.26Å; F533-L603 HydrophobicContact CZ-CD2 4.25Å; F533-L614 HydrophobicContact CE1-CD2 4.42Å; F533-H628 CarbonylContact C-O 3.56Å; F533-H628 WeakPolarHBondContact CA-O 2.93Å; F533-H628 HydrophobicContact CD1-CB 3.68Å; F533-H628 HydrophobicContact CE1-CB 3.93Å; F533-H628 AromaticContact CE1-CD2 3.95Å; F533-I630 HydrophobicContact CB-CD1 4.14Å; F533-I630 HydrophobicContact CB-CG2 4.07Å; F533-I630 HydrophobicContact CD1-CG2 4.08Å
534	V	95.7	Very high	87.5	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	116	-166.7	-164.2	0	0	0	0	109.7	V496 L502 T505 F532 M627 H628 L629 I630	V496-V534 HydrophobicContact CG2-CG1 4.31Å; L502-V534 HydrophobicContact CD1-CG1 4.15Å; L502-V534 HydrophobicContact CD2-CG1 3.89Å; T505-V534 HydrophobicContact CG2-CG1 3.67Å; F532-V534 HydrophobicContact CB-CG2 4.22Å; F532-V534 HydrophobicContact CD1-CG2 3.41Å; F532-V534 VanDerWaalsContact CD1-CG2 3.41Å; F532-V534 HydrophobicContact CD2-CG2 4.24Å; F532-V534 HydrophobicContact CE1-CB 4.35Å; F532-V534 HydrophobicContact CE1-CG1 4.03Å; F532-V534 HydrophobicContact CE1-CG2 3.65Å; F532-V534 HydrophobicContact CE2-CG2 4.44Å; F532-V534 HydrophobicContact CG-CG2 3.71Å; F532-V534 HydrophobicContact CZ-CB 4.5Å; F532-V534 HydrophobicContact CZ-CG1 4.19Å; F532-V534 HydrophobicContact CZ-CG2 4.15Å; F532-V534 WeakPolarHBondContact O-CG2 3.41Å; F532-V534 PolarHBondContact O-N 2.9Å; V534-M627 HydrophobicContact CG2-CB 3.79Å; V534-M627 HydrophobicContact CG2-CG 4.01Å; V534-M627 HydrophobicContact CG2-SD 3.92Å; V534-H628 PolarHBondContact N-O 3.31Å; V534-L629 HydrophobicContact CB-CD2 3.98Å; V534-L629 WeakPolarHBondContact O-CA 3.37Å; V534-I630 PolarHBondContact O-N 2.82Å
535	P	97	Very high	89.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	137.1	175.2	-10	24.7	0	0	0	111	T505 F533 A539 W540 I630 V633	T505-P535 PolarHBondContact OG1-O 3.48Å; F533-P535 WeakPolarHBondContact O-CD 3.37Å; P535-A539 HydrophobicContact CB-CB 3.81Å; P535-W540 HydrophobicContact CG-CZ2 4.41Å; P535-I630 HydrophobicContact CB-CG1 4.16Å; P535-I630 HydrophobicContact CG-CD1 4.21Å; P535-I630 HydrophobicContact CG-CG1 4.3Å; P535-V633 HydrophobicContact CB-CG2 3.74Å; P535-V633 HydrophobicContact CG-CG1 4.19Å; P535-V633 HydrophobicContact CG-CG2 4.18Å
536	T	97	Very high	90.5	Very high	6 Å²	6	48.4 Å²	48.4	4%	0.037	25%	0.252	C	S	.	.			trans	-77.9	166.6	172.7	56.9	0	0	0	0	111.5	L502 E538 A539 W540 Y615 L629 I630	L502-T536 HydrophobicContact CD2-CG2 4.25Å; T536-E538 PolarHBondContact O-N 2.94Å; T536-A539 WeakPolarHBondContact O-CA 3.39Å; T536-A539 WeakPolarHBondContact O-CB 3.21Å; T536-A539 PolarHBondContact O-N 2.83Å; T536-A539 PolarHBondContact OG1-N 2.96Å; T536-W540 PolarHBondContact O-N 3.47Å; T536-W540 VanDerWaalsContact O-N 3.1Å; T536-Y615 HydrophobicContact CG2-CD2 3.95Å; T536-Y615 HydrophobicContact CG2-CE2 3.36Å; T536-Y615 WeakPolarHBondContact OG1-CE2 3.46Å; T536-Y615 PolarHBondContact OG1-OH 3.34Å; T536-L629 HydrophobicContact CG2-CB 4.15Å; T536-L629 HydrophobicContact CG2-CD1 4.38Å; T536-I630 PolarHBondContact N-O 2.94Å; T536-I630 VanDerWaalsContact N-O 3.1Å; T536-I630 PolarHBondContact OG1-O 2.97Å
537	D	96.5	Very high	92	Very high	28 Å²	28	45.5 Å²	45.5	15%	0.15	23%	0.23	C	C	.	.	H	α-helix	trans	-56.5	-39.5	172.9	-69.7	-27.7	0	0	0	111.6	R501 S503 T504 A539 W540 D541	R501-D537 VanDerWaalsContact O-CG 3.26Å; R501-D537 PolarHBondContact O-N 3.18Å; S503-D537 WeakPolarHBondContact CB-OD2 3.43Å; S503-D537 PolarHBondContact N-OD1 3.19Å; S503-D537 PolarHBondContact N-OD2 3.43Å; S503-D537 VanDerWaalsContact N-OD2 3.11Å; S503-D537 VanDerWaalsContact OG-CG 3.26Å; S503-D537 PolarHBondContact OG-OD1 3.3Å; S503-D537 PolarHBondContact OG-OD2 3.07Å; T504-D537 WeakPolarHBondContact CA-OD1 3.21Å; T504-D537 WeakPolarHBondContact CB-OD1 3.46Å; T504-D537 PolarHBondContact N-OD1 2.81Å; T504-D537 PolarHBondContact OG1-OD1 3.19Å; D537-A539 VanDerWaalsContact C-N 3.27Å; D537-A539 PolarHBondContact O-N 2.77Å; D537-W540 PolarHBondContact O-N 3.39Å; D537-W540 VanDerWaalsContact O-N 3.11Å; D537-D541 VanDerWaalsContact O-CG 3.25Å; D537-D541 PolarHBondContact O-N 3.06Å
538	E	96.3	Very high	93.2	Very high	121 Å²	121	39.6 Å²	39.6	57%	0.565	21%	0.208	S	C	*	.	H	α-helix	trans	-59.1	-35.4	171.9	-64.6	175.3	-174.1	0	0	112.7	T536 D541 K542 Y615	T536-E538 PolarHBondContact O-N 2.94Å; E538-D541 PolarHBondContact O-N 3.01Å; E538-K542 PolarHBondContact O-N 2.98Å; E538-Y615 PolarHBondContact OE2-OH 3.06Å
539	A	96.8	Very high	94	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-66.6	-42.3	175.3	0	0	0	0	0	111.6	P535 T536 D537 D541 K542 D631 V633	P535-A539 HydrophobicContact CB-CB 3.81Å; T536-A539 WeakPolarHBondContact O-CA 3.39Å; T536-A539 WeakPolarHBondContact O-CB 3.21Å; T536-A539 PolarHBondContact O-N 2.83Å; T536-A539 PolarHBondContact OG1-N 2.96Å; D537-A539 VanDerWaalsContact C-N 3.27Å; D537-A539 PolarHBondContact O-N 2.77Å; A539-D541 VanDerWaalsContact C-N 3.3Å; A539-D541 PolarHBondContact O-N 2.92Å; A539-K542 PolarHBondContact O-N 2.89Å; A539-D631 WeakPolarHBondContact CA-O 3.45Å; A539-D631 WeakPolarHBondContact CB-O 3.29Å; A539-V633 HydrophobicContact CB-CG2 4.09Å
540	W	96	Very high	94.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-67.6	-31	176.7	-72.8	103.8	0	0	0	112.8	T504 T505 A508 P535 T536 D537 K542 I543 F552 L560 M564 V633 I635	T504-W540 HydrophobicContact CG2-CB 3.76Å; T504-W540 HydrophobicContact CG2-CD2 3.74Å; T504-W540 HydrophobicContact CG2-CE3 4.37Å; T504-W540 HydrophobicContact CG2-CG 3.4Å; T504-W540 VanDerWaalsContact CG2-CG 3.4Å; T505-W540 PolarHBondContact OG1-NE1 2.85Å; A508-W540 HydrophobicContact CB-CZ2 4.43Å; P535-W540 HydrophobicContact CG-CZ2 4.41Å; T536-W540 PolarHBondContact O-N 3.47Å; T536-W540 VanDerWaalsContact O-N 3.1Å; D537-W540 PolarHBondContact O-N 3.39Å; D537-W540 VanDerWaalsContact O-N 3.11Å; W540-K542 VanDerWaalsContact C-N 3.27Å; W540-K542 PolarHBondContact O-N 3.2Å; W540-I543 HydrophobicContact CD2-CD1 4.33Å; W540-I543 HydrophobicContact CE3-CD1 3.44Å; W540-I543 VanDerWaalsContact CE3-CD1 3.44Å; W540-I543 HydrophobicContact CZ3-CD1 3.79Å; W540-I543 PolarHBondContact O-N 2.97Å; W540-F552 HydrophobicContact CD2-CE2 4.48Å; W540-F552 HydrophobicContact CD2-CZ 4.44Å; W540-F552 AromaticContact CE3-CE2 3.8Å; W540-F552 HydrophobicContact CE3-CE2 3.8Å; W540-F552 HydrophobicContact CE3-CZ 4.13Å; W540-F552 HydrophobicContact CH2-CE2 4.39Å; W540-F552 HydrophobicContact CH2-CZ 4.26Å; W540-F552 AromaticContact CZ3-CE2 3.77Å; W540-F552 HydrophobicContact CZ3-CE2 3.77Å; W540-F552 HydrophobicContact CZ3-CZ 4.05Å; W540-L560 HydrophobicContact CH2-CD1 3.85Å; W540-L560 HydrophobicContact CZ3-CD1 4.29Å; W540-M564 HydrophobicContact CH2-SD 4.23Å; W540-M564 HydrophobicContact CZ2-SD 3.87Å; W540-V633 HydrophobicContact CD2-CG2 3.92Å; W540-V633 HydrophobicContact CE3-CG2 4.1Å; W540-V633 HydrophobicContact CG-CG2 4.26Å; W540-V633 HydrophobicContact CH2-CG1 4.02Å; W540-V633 HydrophobicContact CZ2-CG1 4.31Å; W540-V633 HydrophobicContact CZ3-CG1 4.22Å; W540-V633 HydrophobicContact CZ3-CG2 4.45Å; W540-I635 HydrophobicContact CZ3-CD1 4.37Å
541	D	95.2	Very high	94.3	Very high	104 Å²	104	43.6 Å²	43.6	56%	0.556	23%	0.232	S	C	*	.	H	α-helix	trans	-69	-23.6	176.7	-67.9	-20.4	0	0	0	113	D537 E538 A539 I543 R548	D537-D541 VanDerWaalsContact O-CG 3.25Å; D537-D541 PolarHBondContact O-N 3.06Å; E538-D541 PolarHBondContact O-N 3.01Å; A539-D541 VanDerWaalsContact C-N 3.3Å; A539-D541 PolarHBondContact O-N 2.92Å; D541-I543 VanDerWaalsContact C-N 3.26Å; D541-I543 PolarHBondContact O-N 3.22Å; D541-R548 IonicContact OD1-CZ 3.63Å; D541-R548 IonicContact OD1-NH1 2.74Å; D541-R548 PolarHBondContact OD1-NH1 2.96Å; D541-R548 IonicContact OD1-NH2 2.73Å
542	K	95.6	Very high	94.2	Very high	114 Å²	114	46.6 Å²	46.6	50%	0.496	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-17.5	174.2	-68.5	177.4	-173.4	173	0	113.5	E538 A539 W540 D631	E538-K542 PolarHBondContact O-N 2.98Å; A539-K542 PolarHBondContact O-N 2.89Å; W540-K542 VanDerWaalsContact C-N 3.27Å; W540-K542 PolarHBondContact O-N 3.2Å; K542-D631 VanDerWaalsContact CD-O 3.31Å; K542-D631 WeakPolarHBondContact CD-O 3.44Å; K542-D631 VanDerWaalsContact CE-O 3.28Å; K542-D631 WeakPolarHBondContact CE-O 3.34Å; K542-D631 VanDerWaalsContact NZ-CG 3.33Å; K542-D631 PolarHBondContact NZ-O 3.36Å; K542-D631 IonicContact NZ-OD1 3.61Å; K542-D631 IonicContact NZ-OD2 3.57Å; K542-D631 PolarHBondContact NZ-OD2 3.35Å; K542-D631 VanDerWaalsContact NZ-OD2 3.12Å
543	I	93.3	Very high	93.9	Very high	9 Å²	9	50.2 Å²	50.2	5%	0.046	26%	0.264	C	S	.	.	S	Bend	trans	-77.5	135.7	177.8	-59.2	164.9	0	0	0	109.1	W540 D541 L545 L547 R548 V633 I635	W540-I543 HydrophobicContact CD2-CD1 4.33Å; W540-I543 HydrophobicContact CE3-CD1 3.44Å; W540-I543 VanDerWaalsContact CE3-CD1 3.44Å; W540-I543 HydrophobicContact CZ3-CD1 3.79Å; W540-I543 PolarHBondContact O-N 2.97Å; D541-I543 VanDerWaalsContact C-N 3.26Å; D541-I543 PolarHBondContact O-N 3.22Å; I543-L545 PolarHBondContact O-N 2.8Å; I543-L547 HydrophobicContact CG2-CB 3.99Å; I543-L547 HydrophobicContact CG2-CD2 3.98Å; I543-L547 HydrophobicContact CG2-CG 4.09Å; I543-R548 HydrophobicContact CG2-CB 4.22Å; I543-V633 HydrophobicContact CD1-CB 3.79Å; I543-V633 HydrophobicContact CD1-CG1 4.28Å; I543-V633 HydrophobicContact CD1-CG2 3.57Å; I543-V633 HydrophobicContact CG1-CB 4.38Å; I543-V633 HydrophobicContact CG1-CG2 4.24Å; I543-I635 HydrophobicContact CD1-CD1 4.35Å; I543-I635 HydrophobicContact CD1-CG2 3.77Å; I543-I635 HydrophobicContact CG1-CG2 3.95Å
544	P	94	Very high	93.3	Very high	82 Å²	82	52.7 Å²	52.7	53%	0.532	29%	0.289	S	S	.	.			trans	-49.9	130.1	172.8	-27.5	34.6	0	0	0	112.2	S546 L547 R548	P544-S546 PolarHBondContact O-N 2.77Å; P544-S546 VanDerWaalsContact O-N 3.09Å; P544-L547 HydrophobicContact CB-CB 4.49Å; P544-L547 WeakPolarHBondContact O-CA 3.2Å; P544-L547 WeakPolarHBondContact O-CB 3.49Å; P544-L547 PolarHBondContact O-N 3.27Å; P544-R548 PolarHBondContact O-N 3.18Å
545	L	93	Very high	92.8	Very high	139 Å²	139	60.3 Å²	60.3	73%	0.728	33%	0.325	S	S	*	.	H	α-helix	trans	-54.1	-34.6	-176.4	-69.1	172.6	0	0	0	113	I543 L547 S549	I543-L545 PolarHBondContact O-N 2.8Å; L545-L547 VanDerWaalsContact C-N 3.32Å; L545-L547 PolarHBondContact O-N 3.38Å; L545-S549 VanDerWaalsContact O-CB 3.27Å; L545-S549 WeakPolarHBondContact O-CB 3.41Å; L545-S549 PolarHBondContact O-N 2.59Å; L545-S549 PolarHBondContact O-OG 2.88Å
546	S	92.4	Very high	92.3	Very high	82 Å²	82	62.5 Å²	62.5	57%	0.573	34%	0.337	S	S	*	.	H	α-helix	trans	-64.7	-33.1	176.3	57.9	0	0	0	0	113.2	P544 S549 K550	P544-S546 PolarHBondContact O-N 2.77Å; P544-S546 VanDerWaalsContact O-N 3.09Å; S546-S549 PolarHBondContact O-OG 2.92Å; S546-K550 WeakPolarHBondContact O-CG 3.49Å
547	L	92.9	Very high	91.7	Very high	19 Å²	19	67 Å²	67	10%	0.099	35%	0.354	C	S	.	.	H	α-helix	trans	-81.2	-47.3	176.1	-177.2	58.8	0	0	0	110.5	I543 P544 L545 S549 K550 F551 Q637 L640	I543-L547 HydrophobicContact CG2-CB 3.99Å; I543-L547 HydrophobicContact CG2-CD2 3.98Å; I543-L547 HydrophobicContact CG2-CG 4.09Å; P544-L547 HydrophobicContact CB-CB 4.49Å; P544-L547 WeakPolarHBondContact O-CA 3.2Å; P544-L547 WeakPolarHBondContact O-CB 3.49Å; P544-L547 PolarHBondContact O-N 3.27Å; L545-L547 VanDerWaalsContact C-N 3.32Å; L545-L547 PolarHBondContact O-N 3.38Å; L547-S549 PolarHBondContact O-N 3.31Å; L547-K550 WeakPolarHBondContact O-CB 3.5Å; L547-K550 PolarHBondContact O-N 3.15Å; L547-F551 HydrophobicContact CD1-CD2 4.13Å; L547-F551 HydrophobicContact CD1-CE2 3.6Å; L547-F551 HydrophobicContact CG-CD2 4.19Å; L547-F551 HydrophobicContact CG-CE2 3.88Å; L547-F551 WeakPolarHBondContact O-CD2 3.45Å; L547-F551 PolarHBondContact O-N 2.78Å; L547-Q637 HydrophobicContact CD1-CB 4.32Å; L547-Q637 HydrophobicContact CD1-CG 4.22Å; L547-Q637 HydrophobicContact CD2-CB 4.48Å; L547-L640 HydrophobicContact CD1-CD1 3.75Å; L547-L640 HydrophobicContact CD1-CG 4.16Å
548	R	92.1	Very high	91.1	Very high	45 Å²	45	71.6 Å²	71.6	17%	0.17	37%	0.369	C	S	.	.	H	α-helix	trans	-57.1	-49.2	178.6	-174.7	179.1	177.6	-177.7	1	111.5	T504 D541 I543 P544 K550 F551 F552	T504-R548 PolarHBondContact OG1-NH2 2.72Å; D541-R548 IonicContact OD1-CZ 3.63Å; D541-R548 IonicContact OD1-NH1 2.74Å; D541-R548 PolarHBondContact OD1-NH1 2.96Å; D541-R548 IonicContact OD1-NH2 2.73Å; I543-R548 HydrophobicContact CG2-CB 4.22Å; P544-R548 PolarHBondContact O-N 3.18Å; R548-K550 VanDerWaalsContact C-N 3.26Å; R548-K550 PolarHBondContact O-N 2.98Å; R548-F551 PolarHBondContact O-N 3.08Å; R548-F552 HydrophobicContact CG-CD2 3.83Å; R548-F552 HydrophobicContact CG-CE2 3.97Å; R548-F552 WeakPolarHBondContact O-CD2 3.25Å; R548-F552 PolarHBondContact O-N 2.89Å; R548-F552 VanDerWaalsContact O-N 3.17Å
549	S	91.8	Very high	90.8	Very high	70 Å²	70	65.9 Å²	65.9	49%	0.49	34%	0.343	S	S	.	.	H	α-helix	trans	-56.9	-37.5	178.5	53.6	0	0	0	0	113	L545 S546 L547 F551 F552 N553	L545-S549 VanDerWaalsContact O-CB 3.27Å; L545-S549 WeakPolarHBondContact O-CB 3.41Å; L545-S549 PolarHBondContact O-N 2.59Å; L545-S549 PolarHBondContact O-OG 2.88Å; S546-S549 PolarHBondContact O-OG 2.92Å; L547-S549 PolarHBondContact O-N 3.31Å; S549-F551 VanDerWaalsContact C-N 3.33Å; S549-F551 PolarHBondContact O-N 3.03Å; S549-F552 PolarHBondContact O-N 3.18Å; S549-N553 WeakPolarHBondContact O-CB 3.44Å; S549-N553 PolarHBondContact O-N 3.49Å
550	K	92.1	Very high	90.4	Very high	95 Å²	95	66.3 Å²	66.3	41%	0.413	35%	0.345	S	S	.	.	H	α-helix	trans	-63.9	-35.5	175.5	-73	176.2	-177.8	-178	0	112.9	S546 L547 R548 N553 N556 L640	S546-K550 WeakPolarHBondContact O-CG 3.49Å; L547-K550 WeakPolarHBondContact O-CB 3.5Å; L547-K550 PolarHBondContact O-N 3.15Å; R548-K550 VanDerWaalsContact C-N 3.26Å; R548-K550 PolarHBondContact O-N 2.98Å; K550-N553 PolarHBondContact O-ND2 3.49Å; K550-N553 PolarHBondContact O-OD1 2.87Å; K550-N556 WeakPolarHBondContact O-CB 3.28Å; K550-N556 PolarHBondContact O-ND2 2.89Å; K550-L640 HydrophobicContact CB-CD1 4.3Å; K550-L640 HydrophobicContact CB-CD2 3.96Å; K550-L640 HydrophobicContact CD-CD1 3.7Å
551	F	89.9	Confident	90	Very high	2 Å²	2	67.5 Å²	67.5	1%	0.009	35%	0.35	C	S	.	.	H	α-helix	trans	-73.1	-33.7	177	-81.9	-74.8	0	0	0	112.9	L547 R548 S549 A559 L560 V563 I635 D639 L640	L547-F551 HydrophobicContact CD1-CD2 4.13Å; L547-F551 HydrophobicContact CD1-CE2 3.6Å; L547-F551 HydrophobicContact CG-CD2 4.19Å; L547-F551 HydrophobicContact CG-CE2 3.88Å; L547-F551 WeakPolarHBondContact O-CD2 3.45Å; L547-F551 PolarHBondContact O-N 2.78Å; R548-F551 PolarHBondContact O-N 3.08Å; S549-F551 VanDerWaalsContact C-N 3.33Å; S549-F551 PolarHBondContact O-N 3.03Å; F551-A559 HydrophobicContact CD1-CB 4.28Å; F551-A559 HydrophobicContact CE1-CB 3.77Å; F551-L560 HydrophobicContact CB-CD1 3.99Å; F551-L560 HydrophobicContact CD1-CB 3.89Å; F551-L560 HydrophobicContact CD1-CD1 3.93Å; F551-L560 HydrophobicContact CD1-CG 4.47Å; F551-L560 HydrophobicContact CG-CD1 4.18Å; F551-V563 HydrophobicContact CE1-CG2 3.85Å; F551-V563 HydrophobicContact CZ-CG2 4.1Å; F551-I635 HydrophobicContact CD1-CD1 4.5Å; F551-I635 HydrophobicContact CD2-CD1 3.59Å; F551-I635 HydrophobicContact CE1-CD1 4.23Å; F551-I635 HydrophobicContact CE2-CD1 3.27Å; F551-I635 HydrophobicContact CE2-CG1 3.8Å; F551-I635 HydrophobicContact CG-CD1 4.21Å; F551-I635 HydrophobicContact CZ-CD1 3.64Å; F551-I635 HydrophobicContact CZ-CG1 3.87Å; F551-D639 HydrophobicContact CE1-CB 4.49Å; F551-D639 HydrophobicContact CZ-CB 4.01Å; F551-L640 HydrophobicContact CD1-CD2 4.18Å; F551-L640 HydrophobicContact CD2-CD2 4.09Å; F551-L640 HydrophobicContact CE1-CD2 3.95Å; F551-L640 HydrophobicContact CE2-CD2 3.84Å; F551-L640 HydrophobicContact CE2-CG 4.12Å; F551-L640 HydrophobicContact CG-CD2 4.25Å; F551-L640 HydrophobicContact CZ-CD2 3.76Å; F551-L640 HydrophobicContact CZ-CG 3.99Å
552	F	89.9	Confident	89.7	Confident	63 Å²	63	65.6 Å²	65.6	28%	0.276	34%	0.337	S	S	.	.	H	α-helix	trans	-97.3	7.2	-177.2	-70	-85.9	0	0	0	114.4	T504 L507 A508 W540 R548 S549 G554 L560	T504-F552 HydrophobicContact CG2-CE1 4.18Å; T504-F552 HydrophobicContact CG2-CE2 4.09Å; T504-F552 HydrophobicContact CG2-CZ 3.58Å; L507-F552 HydrophobicContact CB-CE1 4.27Å; A508-F552 HydrophobicContact CB-CE1 3.91Å; A508-F552 HydrophobicContact CB-CZ 4Å; W540-F552 HydrophobicContact CD2-CE2 4.48Å; W540-F552 HydrophobicContact CD2-CZ 4.44Å; W540-F552 AromaticContact CE3-CE2 3.8Å; W540-F552 HydrophobicContact CE3-CE2 3.8Å; W540-F552 HydrophobicContact CE3-CZ 4.13Å; W540-F552 HydrophobicContact CH2-CE2 4.39Å; W540-F552 HydrophobicContact CH2-CZ 4.26Å; W540-F552 AromaticContact CZ3-CE2 3.77Å; W540-F552 HydrophobicContact CZ3-CE2 3.77Å; W540-F552 HydrophobicContact CZ3-CZ 4.05Å; R548-F552 HydrophobicContact CG-CD2 3.83Å; R548-F552 HydrophobicContact CG-CE2 3.97Å; R548-F552 WeakPolarHBondContact O-CD2 3.25Å; R548-F552 PolarHBondContact O-N 2.89Å; R548-F552 VanDerWaalsContact O-N 3.17Å; S549-F552 PolarHBondContact O-N 3.18Å; F552-G554 PolarHBondContact O-N 3.46Å; F552-L560 HydrophobicContact CD1-CD2 4.27Å; F552-L560 HydrophobicContact CE1-CD2 4.05Å; F552-L560 HydrophobicContact CZ-CD2 4.27Å
553	N	88	Confident	89.5	Confident	75 Å²	75	60.1 Å²	60.1	40%	0.401	31%	0.313	S	S	.	.	S	Bend	trans	-75.2	-1.1	179.2	70.7	-0.5	0	0	0	114.8	S549 K550 Q555 N556	S549-N553 WeakPolarHBondContact O-CB 3.44Å; S549-N553 PolarHBondContact O-N 3.49Å; K550-N553 PolarHBondContact O-ND2 3.49Å; K550-N553 PolarHBondContact O-OD1 2.87Å; N553-Q555 PolarHBondContact O-N 3.25Å; N553-Q555 PolarHBondContact OD1-N 3.01Å; N553-N556 PolarHBondContact OD1-N 3.13Å
554	G	82.8	Confident	89.4	Confident	52 Å²	52	59.7 Å²	59.7	54%	0.536	31%	0.311	S	S	.	.	S	Bend	trans	81.4	-21.3	-176.1	0	0	0	0	0	115.4	F552	F552-G554 PolarHBondContact O-N 3.46Å
555	Q	85.8	Confident	89.1	Confident	160 Å²	160	60.3 Å²	60.3	75%	0.748	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-33.5	-179.9	-61.9	179.8	-8.6	0	0	112.5	N553	N553-Q555 PolarHBondContact O-N 3.25Å; N553-Q555 PolarHBondContact OD1-N 3.01Å
556	N	87.5	Confident	89.1	Confident	46 Å²	46	53.8 Å²	53.8	25%	0.246	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100	29.2	-175.1	-62.6	-46	0	0	0	113.7	K550 N553 R558 A559 L560 L640	K550-N556 WeakPolarHBondContact O-CB 3.28Å; K550-N556 PolarHBondContact O-ND2 2.89Å; N553-N556 PolarHBondContact OD1-N 3.13Å; N556-R558 PolarHBondContact O-N 2.87Å; N556-R558 VanDerWaalsContact O-N 3.17Å; N556-A559 HydrophobicContact CB-CB 4.34Å; N556-A559 WeakPolarHBondContact O-CB 3.26Å; N556-A559 PolarHBondContact O-N 3.28Å; N556-L560 PolarHBondContact O-N 2.76Å; N556-L640 HydrophobicContact CB-CD2 4.36Å
557	Y	83	Confident	89.1	Confident	100 Å²	100	49.9 Å²	49.9	39%	0.392	24%	0.244	S	C	.	.	H	α-helix	trans	-58.7	-32.4	-175.6	78.2	-86.4	0	0	0	113.2	L560 Q561	Y557-L560 PolarHBondContact O-N 2.67Å; Y557-Q561 WeakPolarHBondContact O-CB 3.26Å; Y557-Q561 PolarHBondContact O-N 2.69Å
558	R	85.6	Confident	89.1	Confident	126 Å²	126	49.8 Å²	49.8	48%	0.475	24%	0.244	S	C	.	.	H	α-helix	trans	-65.8	-41.6	175.7	-66.5	-175	-179	-176.4	-2.5	112.7	N556 Q561 F562	N556-R558 PolarHBondContact O-N 2.87Å; N556-R558 VanDerWaalsContact O-N 3.17Å; R558-Q561 WeakPolarHBondContact O-CB 3.36Å; R558-Q561 PolarHBondContact O-N 3.44Å; R558-F562 PolarHBondContact O-N 3.24Å
559	A	88.7	Confident	89	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-64.6	-44.6	175.5	0	0	0	0	0	110.2	F551 N556 Q561 F562 V563 D639	F551-A559 HydrophobicContact CD1-CB 4.28Å; F551-A559 HydrophobicContact CE1-CB 3.77Å; N556-A559 HydrophobicContact CB-CB 4.34Å; N556-A559 WeakPolarHBondContact O-CB 3.26Å; N556-A559 PolarHBondContact O-N 3.28Å; A559-Q561 VanDerWaalsContact C-N 3.26Å; A559-Q561 PolarHBondContact O-N 3.5Å; A559-F562 WeakPolarHBondContact O-CB 3.45Å; A559-F562 PolarHBondContact O-N 3.27Å; A559-V563 WeakPolarHBondContact O-CG2 3.49Å; A559-V563 PolarHBondContact O-N 2.62Å; A559-D639 VanDerWaalsContact CB-O 3.23Å; A559-D639 WeakPolarHBondContact CB-O 3.49Å
560	L	89.6	Confident	88.8	Confident	8 Å²	8	51.3 Å²	51.3	4%	0.042	25%	0.245	C	C	.	.	H	α-helix	trans	-61.7	-37	174.9	-168	55.9	0	0	0	111.3	A508 M512 W540 F551 F552 N556 Y557 F562 V563 M564	A508-L560 HydrophobicContact CB-CD1 4.46Å; A508-L560 HydrophobicContact CB-CD2 3.89Å; A508-L560 HydrophobicContact CB-CG 4.28Å; M512-L560 VanDerWaalsContact CE-C 3.43Å; M512-L560 HydrophobicContact CE-CB 3.57Å; M512-L560 HydrophobicContact CE-CD2 3.63Å; M512-L560 HydrophobicContact CE-CG 3.29Å; W540-L560 HydrophobicContact CH2-CD1 3.85Å; W540-L560 HydrophobicContact CZ3-CD1 4.29Å; F551-L560 HydrophobicContact CB-CD1 3.99Å; F551-L560 HydrophobicContact CD1-CB 3.89Å; F551-L560 HydrophobicContact CD1-CD1 3.93Å; F551-L560 HydrophobicContact CD1-CG 4.47Å; F551-L560 HydrophobicContact CG-CD1 4.18Å; F552-L560 HydrophobicContact CD1-CD2 4.27Å; F552-L560 HydrophobicContact CE1-CD2 4.05Å; F552-L560 HydrophobicContact CZ-CD2 4.27Å; N556-L560 PolarHBondContact O-N 2.76Å; Y557-L560 PolarHBondContact O-N 2.67Å; L560-F562 VanDerWaalsContact C-N 3.34Å; L560-F562 PolarHBondContact O-N 2.79Å; L560-V563 PolarHBondContact O-N 3.02Å; L560-M564 WeakPolarHBondContact O-CG 3.28Å; L560-M564 PolarHBondContact O-N 3.06Å
561	Q	86.8	Confident	88.5	Confident	25 Å²	25	48.7 Å²	48.7	12%	0.117	25%	0.245	C	C	.	.	H	α-helix	trans	-64.5	-40.2	177.6	-169.1	-175.1	-0.5	0	0	111.5	M512 L514 Y557 R558 A559 M564 K565	M512-Q561 HydrophobicContact CB-CG 4.42Å; M512-Q561 HydrophobicContact CE-CB 4.3Å; M512-Q561 HydrophobicContact CG-CB 4.2Å; M512-Q561 HydrophobicContact CG-CG 4.3Å; M512-Q561 WeakPolarHBondContact SD-CA 3.29Å; M512-Q561 HydrophobicContact SD-CB 3.77Å; M512-Q561 HydrophobicContact SD-CG 3.92Å; L514-Q561 HydrophobicContact CD1-CG 3.43Å; L514-Q561 VanDerWaalsContact CD1-CG 3.43Å; Y557-Q561 WeakPolarHBondContact O-CB 3.26Å; Y557-Q561 PolarHBondContact O-N 2.69Å; R558-Q561 WeakPolarHBondContact O-CB 3.36Å; R558-Q561 PolarHBondContact O-N 3.44Å; A559-Q561 VanDerWaalsContact C-N 3.26Å; A559-Q561 PolarHBondContact O-N 3.5Å; Q561-M564 PolarHBondContact O-N 3.02Å; Q561-K565 WeakPolarHBondContact O-CB 3.3Å; Q561-K565 VanDerWaalsContact O-CG 3.31Å; Q561-K565 WeakPolarHBondContact O-CG 3.1Å; Q561-K565 PolarHBondContact O-N 3.04Å
562	F	88.3	Confident	88.5	Confident	64 Å²	64	51.5 Å²	51.5	28%	0.281	26%	0.262	S	S	.	.	H	α-helix	trans	-61.2	-44.4	173.4	179.6	-107	0	0	0	111.8	R558 A559 L560 K565 R566 N588 D639 A642	R558-F562 PolarHBondContact O-N 3.24Å; A559-F562 WeakPolarHBondContact O-CB 3.45Å; A559-F562 PolarHBondContact O-N 3.27Å; L560-F562 VanDerWaalsContact C-N 3.34Å; L560-F562 PolarHBondContact O-N 2.79Å; F562-K565 PolarHBondContact O-N 3.48Å; F562-R566 PolarHBondContact O-N 2.87Å; F562-N588 WeakPolarHBondContact CE2-ND2 3.05Å; F562-D639 WeakPolarHBondContact CE1-OD1 3.47Å; F562-A642 HydrophobicContact CB-CB 4.4Å; F562-A642 HydrophobicContact CD1-CB 3.53Å; F562-A642 HydrophobicContact CE1-CB 3.79Å; F562-A642 HydrophobicContact CG-CB 3.93Å; F562-A642 HydrophobicContact CZ-CB 4.43Å
563	V	91.4	Very high	88.5	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-60.5	-47.2	175.5	176.2	0	0	0	0	111	F551 A559 L560 K565 R566 H567 V633 I635 D639	F551-V563 HydrophobicContact CE1-CG2 3.85Å; F551-V563 HydrophobicContact CZ-CG2 4.1Å; A559-V563 WeakPolarHBondContact O-CG2 3.49Å; A559-V563 PolarHBondContact O-N 2.62Å; L560-V563 PolarHBondContact O-N 3.02Å; V563-K565 PolarHBondContact O-N 3.45Å; V563-R566 WeakPolarHBondContact O-CB 3.13Å; V563-R566 PolarHBondContact O-N 2.88Å; V563-H567 PolarHBondContact O-N 3.23Å; V563-H567 PolarHBondContact O-ND1 3.45Å; V563-V633 HydrophobicContact CG1-CG1 4.21Å; V563-I635 HydrophobicContact CG1-CB 4.08Å; V563-I635 HydrophobicContact CG1-CD1 3.98Å; V563-I635 HydrophobicContact CG1-CG1 3.96Å; V563-I635 HydrophobicContact CG2-CD1 4.07Å; V563-I635 HydrophobicContact CG2-CG1 3.8Å; V563-D639 HydrophobicContact CG2-CB 3.91Å
564	M	91.3	Very high	88.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-66.4	-36.1	179	-64.7	-50.7	-59.1	0	0	112.7	T505 A508 L509 M512 L514 F532 W540 L560 Q561 R566 H567 L568	T505-M564 HydrophobicContact CG2-CE 3.71Å; A508-M564 HydrophobicContact CB-CG 4.26Å; A508-M564 HydrophobicContact CB-SD 4.09Å; L509-M564 HydrophobicContact CD2-CB 4.36Å; L509-M564 HydrophobicContact CD2-CE 4Å; L509-M564 HydrophobicContact CD2-CG 4.37Å; L509-M564 HydrophobicContact CG-CE 4.28Å; M512-M564 HydrophobicContact CE-CG 3.97Å; M512-M564 HydrophobicContact SD-CB 4.31Å; M512-M564 HydrophobicContact SD-CG 4.14Å; L514-M564 HydrophobicContact CD2-CB 4.21Å; F532-M564 HydrophobicContact CE2-CE 3.82Å; F532-M564 HydrophobicContact CZ-CE 3.48Å; F532-M564 VanDerWaalsContact CZ-CE 3.48Å; W540-M564 HydrophobicContact CH2-SD 4.23Å; W540-M564 HydrophobicContact CZ2-SD 3.87Å; L560-M564 WeakPolarHBondContact O-CG 3.28Å; L560-M564 PolarHBondContact O-N 3.06Å; Q561-M564 PolarHBondContact O-N 3.02Å; M564-R566 VanDerWaalsContact C-N 3.32Å; M564-R566 PolarHBondContact O-N 2.6Å; M564-H567 WeakPolarHBondContact O-CB 3.47Å; M564-H567 PolarHBondContact O-N 2.84Å; M564-H567 VanDerWaalsContact O-N 3.14Å; M564-L568 PolarHBondContact O-N 3.3Å
565	K	89.3	Confident	89	Confident	95 Å²	95	48 Å²	48	41%	0.413	23%	0.231	S	C	.	.	H	α-helix	trans	-62	-38	172.6	-77.7	-178.9	178.4	-176.6	0	112.3	L514 Q561 F562 V563 H567 L568	L514-K565 HydrophobicContact CD1-CD 4.25Å; L514-K565 HydrophobicContact CD1-CG 3.6Å; L514-K565 HydrophobicContact CD2-CG 4.37Å; Q561-K565 WeakPolarHBondContact O-CB 3.3Å; Q561-K565 VanDerWaalsContact O-CG 3.31Å; Q561-K565 WeakPolarHBondContact O-CG 3.1Å; Q561-K565 PolarHBondContact O-N 3.04Å; F562-K565 PolarHBondContact O-N 3.48Å; V563-K565 PolarHBondContact O-N 3.45Å; K565-H567 PolarHBondContact O-N 3.08Å; K565-L568 PolarHBondContact O-N 3.41Å; K565-L568 VanDerWaalsContact O-O 3.09Å
566	R	91.7	Very high	89.1	Confident	1 Å²	1	41.6 Å²	41.6	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-56.5	-37.2	174.1	-176.1	-175.9	-65.8	124.5	-1.2	111.4	F562 V563 M564 L568 M587 W605 L634 D639	F562-R566 PolarHBondContact O-N 2.87Å; V563-R566 WeakPolarHBondContact O-CB 3.13Å; V563-R566 PolarHBondContact O-N 2.88Å; M564-R566 VanDerWaalsContact C-N 3.32Å; M564-R566 PolarHBondContact O-N 2.6Å; R566-L568 PolarHBondContact O-N 3.49Å; R566-M587 VanDerWaalsContact O-CB 3.31Å; R566-M587 WeakPolarHBondContact O-CB 3.5Å; R566-M587 WeakPolarHBondContact O-CE 3.42Å; R566-W605 VanDerWaalsContact CZ-CH2 3.41Å; R566-L634 WeakPolarHBondContact CD-O 3.3Å; R566-L634 PolarHBondContact NH1-O 3.31Å; R566-D639 IonicContact CZ-OD1 3.83Å; R566-D639 IonicContact CZ-OD2 3.65Å; R566-D639 IonicContact NH1-OD1 2.75Å; R566-D639 IonicContact NH1-OD2 3.28Å; R566-D639 PolarHBondContact NH1-OD2 3.1Å; R566-D639 IonicContact NH2-OD1 2.81Å; R566-D639 PolarHBondContact NH2-OD1 2.94Å; R566-D639 IonicContact NH2-OD2 3.69Å; R566-D639 PolarHBondContact NH2-OD2 3.32Å
567	H	93.6	Very high	89	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-8.7	-180	-69.2	82.5	0	0	0	114.2	F532 F533 V563 M564 K565 M587 L634	F532-H567 HydrophobicContact CD2-CB 4.21Å; F532-H567 HydrophobicContact CE2-CB 3.88Å; F533-H567 PolarHBondContact N-O 2.98Å; F533-H567 WeakPolarHBondContact O-CB 3.42Å; F533-H567 PolarHBondContact O-CD2 3.18Å; V563-H567 PolarHBondContact O-N 3.23Å; V563-H567 PolarHBondContact O-ND1 3.45Å; M564-H567 WeakPolarHBondContact O-CB 3.47Å; M564-H567 PolarHBondContact O-N 2.84Å; M564-H567 VanDerWaalsContact O-N 3.14Å; K565-H567 PolarHBondContact O-N 3.08Å; H567-M587 VanDerWaalsContact CA-CE 3.5Å; H567-L634 PolarHBondContact CE1-N 3.34Å; H567-L634 VanDerWaalsContact CE1-N 3.31Å; H567-L634 PolarHBondContact CE1-O 3.27Å; H567-L634 WeakPolarHBondContact NE2-CB 3.33Å; H567-L634 PolarHBondContact NE2-N 3.36Å
568	L	91.2	Very high	89.4	Confident	18 Å²	18	39.1 Å²	39.1	9%	0.094	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.8	-174.9	-173	68.7	0	0	0	110.8	L514 T517 L518 F530 F532 M564 K565 R566	L514-L568 HydrophobicContact CD2-CD2 4.3Å; T517-L568 HydrophobicContact CG2-CD2 4.47Å; L518-L568 HydrophobicContact CD2-CD1 3.95Å; L518-L568 HydrophobicContact CD2-CD2 4.33Å; F530-L568 HydrophobicContact CB-CD1 3.87Å; F530-L568 HydrophobicContact CD1-CD1 3.83Å; F530-L568 HydrophobicContact CD1-CD2 3.92Å; F530-L568 HydrophobicContact CD1-CG 3.91Å; F530-L568 HydrophobicContact CE1-CD2 4.13Å; F530-L568 HydrophobicContact CG-CD1 4.13Å; F532-L568 HydrophobicContact CB-CD1 3.72Å; F532-L568 HydrophobicContact CD2-CB 4.41Å; F532-L568 HydrophobicContact CD2-CD1 4.14Å; F532-L568 HydrophobicContact CG-CD1 4Å; M564-L568 PolarHBondContact O-N 3.3Å; K565-L568 PolarHBondContact O-N 3.41Å; K565-L568 VanDerWaalsContact O-O 3.09Å; R566-L568 PolarHBondContact O-N 3.49Å
569	I	91.2	Very high	89.6	Confident	16 Å²	16	33.2 Å²	33.2	8%	0.082	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	123.6	167.3	-54.7	180	0	0	0	107.7	F530 T531 F533 V572 L574 V585 M587	F530-I569 CarbonylContact C-O 3.52Å; F530-I569 VanDerWaalsContact CA-O 3.27Å; F530-I569 WeakPolarHBondContact CA-O 3.31Å; T531-I569 PolarHBondContact N-O 2.77Å; T531-I569 PolarHBondContact O-N 2.81Å; F533-I569 HydrophobicContact CE2-CD1 3.75Å; F533-I569 HydrophobicContact CE2-CG1 4.34Å; I569-V572 HydrophobicContact CG2-CB 4.33Å; I569-L574 HydrophobicContact CD1-CD1 4.21Å; I569-V585 HydrophobicContact CD1-CB 3.76Å; I569-V585 HydrophobicContact CD1-CG1 4.17Å; I569-V585 HydrophobicContact CD1-CG2 4.06Å; I569-M587 HydrophobicContact CD1-CG 3.96Å; I569-M587 HydrophobicContact CG1-CG 3.74Å
570	Q	86.8	Confident	89.4	Confident	131 Å²	131	39.6 Å²	39.6	61%	0.612	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-98.9	144.2	177.3	-178.6	170.3	10.9	0	0	111.5	F530 V572	F530-Q570 HydrophobicContact CD1-CB 4.05Å; F530-Q570 HydrophobicContact CD1-CG 4.15Å; F530-Q570 HydrophobicContact CE1-CB 3.84Å; F530-Q570 HydrophobicContact CE1-CG 3.54Å; F530-Q570 HydrophobicContact CZ-CG 4.29Å; Q570-V572 VanDerWaalsContact C-N 3.31Å; Q570-V572 PolarHBondContact O-N 3.34Å
571	G	86.7	Confident	89.3	Confident	39 Å²	39	47.1 Å²	47.1	40%	0.402	23%	0.234	S	C	.	.	S	Bend	trans	85.8	-6.2	177.1	0	0	0	0	0	114.7	N529	N529-G571 CarbonylContact O-C 3.59Å; N529-G571 WeakPolarHBondContact O-CA 3.4Å; N529-G571 PolarHBondContact O-N 3.16Å
572	V	89.1	Confident	89.5	Confident	61 Å²	61	51.4 Å²	51.4	37%	0.37	25%	0.249	S	C	.	.			trans	-138.1	126.3	-177.3	-167.9	0	0	0	0	110.1	N529 F530 T531 I569 Q570 L574	N529-V572 PolarHBondContact O-N 3.49Å; F530-V572 CarbonylContact C-O 3.58Å; F530-V572 VanDerWaalsContact C-O 3.25Å; T531-V572 PolarHBondContact N-O 3.23Å; T531-V572 VanDerWaalsContact N-O 3.12Å; T531-V572 PolarHBondContact OG1-O 2.8Å; I569-V572 HydrophobicContact CG2-CB 4.33Å; Q570-V572 VanDerWaalsContact C-N 3.31Å; Q570-V572 PolarHBondContact O-N 3.34Å; V572-L574 HydrophobicContact CG1-CD2 3.5Å; V572-L574 HydrophobicContact CG1-CG 3.77Å
573	A	89.9	Confident	89.7	Confident	26 Å²	26	52.9 Å²	52.9	22%	0.215	26%	0.263	C	S	.	.			trans	-105.1	102.8	173.4	0	0	0	0	0	108.8	N529 F626	N529-A573 HydrophobicContact CB-CB 3.96Å; A573-F626 HydrophobicContact CB-CD2 3.93Å; A573-F626 HydrophobicContact CB-CE2 4.22Å
574	L	92.4	Very high	89.8	Confident	4 Å²	4	57.6 Å²	57.6	2%	0.021	28%	0.282	C	S	.	.			trans	-99.5	123.6	-176.1	-61.1	173.8	0	0	0	110.1	T531 I569 V572 D578 L579 V585 F626 H628	T531-L574 HydrophobicContact CG2-CB 4.03Å; T531-L574 PolarHBondContact OG1-N 3.07Å; I569-L574 HydrophobicContact CD1-CD1 4.21Å; V572-L574 HydrophobicContact CG1-CD2 3.5Å; V572-L574 HydrophobicContact CG1-CG 3.77Å; L574-D578 HydrophobicContact CB-CB 4.36Å; L574-D578 HydrophobicContact CD2-CB 4.03Å; L574-L579 HydrophobicContact CB-CD2 4.05Å; L574-L579 HydrophobicContact CD1-CD2 3.98Å; L574-V585 HydrophobicContact CD1-CG1 3.68Å; L574-F626 WeakPolarHBondContact O-CB 3.37Å; L574-H628 PolarHBondContact O-NE2 2.78Å
575	R	90.2	Very high	90	Very high	87 Å²	87	57.8 Å²	57.8	33%	0.328	28%	0.283	S	S	.	.			trans	-85.3	168.5	171	-57.6	174.6	-169.2	170.8	4.1	111.1	D578 L579 E619 F626	R575-D578 WeakPolarHBondContact CB-OD2 3.34Å; R575-D578 PolarHBondContact N-OD2 3.29Å; R575-D578 WeakPolarHBondContact O-CB 3.42Å; R575-D578 PolarHBondContact O-N 3.22Å; R575-L579 PolarHBondContact O-N 3.03Å; R575-E619 WeakPolarHBondContact CA-OE1 2.99Å; R575-E619 WeakPolarHBondContact CB-OE1 3.45Å; R575-F626 HydrophobicContact CG-CD1 4.31Å; R575-F626 HydrophobicContact CG-CD2 3.85Å; R575-F626 HydrophobicContact CG-CE1 3.91Å; R575-F626 HydrophobicContact CG-CE2 3.42Å; R575-F626 VanDerWaalsContact CG-CE2 3.42Å; R575-F626 HydrophobicContact CG-CG 4.3Å; R575-F626 HydrophobicContact CG-CZ 3.47Å; R575-F626 VanDerWaalsContact CG-CZ 3.47Å
576	L	87.4	Confident	90.1	Very high	25 Å²	25	57.8 Å²	57.8	13%	0.131	29%	0.286	C	S	.	.	H	α-helix	trans	-57.3	-40.2	176.1	-166.8	67.3	0	0	0	113.8	D578 L579 R580 F601 L614 E619	L576-D578 VanDerWaalsContact C-N 3.35Å; L576-L579 HydrophobicContact CD1-CD1 4.44Å; L576-L579 PolarHBondContact O-N 2.84Å; L576-R580 PolarHBondContact O-N 3.47Å; L576-F601 HydrophobicContact CD1-CD2 3.69Å; L576-F601 HydrophobicContact CD1-CE2 3.79Å; L576-F601 HydrophobicContact CG-CE2 4.13Å; L576-L614 HydrophobicContact CD1-CD2 4.38Å; L576-E619 PolarHBondContact N-OE1 3.21Å
577	P	85.7	Confident	90.1	Very high	42 Å²	42	57.8 Å²	57.8	27%	0.273	29%	0.286	S	S	.	.	H	α-helix	trans	-61.5	-38.4	170.7	-24.8	36.6	0	0	0	113.4	L579 R580 E581	P577-L579 VanDerWaalsContact C-N 3.29Å; P577-L579 PolarHBondContact O-N 3Å; P577-R580 VanDerWaalsContact O-CB 3.23Å; P577-R580 WeakPolarHBondContact O-CB 3.35Å; P577-R580 PolarHBondContact O-N 2.9Å; P577-E581 PolarHBondContact O-N 2.82Å
578	D	89.7	Confident	89.7	Confident	52 Å²	52	60.9 Å²	60.9	28%	0.278	30%	0.303	S	S	.	.	H	α-helix	trans	-65.6	-34.4	178.4	-53.7	-41.1	0	0	0	111.7	L574 R575 L576 R580 R582	L574-D578 HydrophobicContact CB-CB 4.36Å; L574-D578 HydrophobicContact CD2-CB 4.03Å; R575-D578 WeakPolarHBondContact CB-OD2 3.34Å; R575-D578 PolarHBondContact N-OD2 3.29Å; R575-D578 WeakPolarHBondContact O-CB 3.42Å; R575-D578 PolarHBondContact O-N 3.22Å; L576-D578 VanDerWaalsContact C-N 3.35Å; D578-R580 VanDerWaalsContact C-N 3.3Å; D578-R582 VanDerWaalsContact O-CD 3.31Å; D578-R582 WeakPolarHBondContact O-CD 3.5Å; D578-R582 VanDerWaalsContact O-CG 3.24Å; D578-R582 WeakPolarHBondContact O-CG 3.41Å
579	L	90.3	Very high	89.5	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.01	34%	0.337	C	S	.	.	H	α-helix	trans	-68.1	-29.6	173.8	-62.2	179.7	0	0	0	112	F533 L574 R575 L576 P577 E581 R582 V585 I594 L614	F533-L579 HydrophobicContact CE1-CD1 4.21Å; F533-L579 HydrophobicContact CZ-CD1 4.5Å; F533-L579 HydrophobicContact CZ-CD2 4.14Å; L574-L579 HydrophobicContact CB-CD2 4.05Å; L574-L579 HydrophobicContact CD1-CD2 3.98Å; R575-L579 PolarHBondContact O-N 3.03Å; L576-L579 HydrophobicContact CD1-CD1 4.44Å; L576-L579 PolarHBondContact O-N 2.84Å; P577-L579 VanDerWaalsContact C-N 3.29Å; P577-L579 PolarHBondContact O-N 3Å; L579-E581 VanDerWaalsContact C-N 3.34Å; L579-R582 PolarHBondContact O-N 2.81Å; L579-V585 HydrophobicContact CD2-CG1 4.45Å; L579-I594 HydrophobicContact CB-CD1 4.35Å; L579-I594 HydrophobicContact CD2-CD1 3.75Å; L579-L614 HydrophobicContact CD1-CD2 3.76Å
580	R	84.9	Confident	89.4	Confident	135 Å²	135	68.4 Å²	68.4	51%	0.509	34%	0.342	S	S	.	.	H	α-helix	trans	-67.3	-35.1	178.1	-171.8	-176	-68.7	176.1	-0.8	112.4	L576 P577 D578 R582 F601	L576-R580 PolarHBondContact O-N 3.47Å; P577-R580 VanDerWaalsContact O-CB 3.23Å; P577-R580 WeakPolarHBondContact O-CB 3.35Å; P577-R580 PolarHBondContact O-N 2.9Å; D578-R580 VanDerWaalsContact C-N 3.3Å; R580-R582 VanDerWaalsContact C-N 3.3Å; R580-F601 HydrophobicContact CB-CE1 4.21Å; R580-F601 HydrophobicContact CB-CZ 3.75Å; R580-F601 HydrophobicContact CG-CE1 4.44Å; R580-F601 HydrophobicContact CG-CZ 4.01Å
581	E	87.2	Confident	89.8	Confident	166 Å²	166	68.2 Å²	68.2	78%	0.776	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-4.9	-177.2	-64.8	178.5	-177.9	0	0	112.9	P577 L579	P577-E581 PolarHBondContact O-N 2.82Å; L579-E581 VanDerWaalsContact C-N 3.34Å
582	R	91	Very high	90.2	Very high	116 Å²	116	66.4 Å²	66.4	44%	0.438	32%	0.316	S	S	.	.			trans	-107.2	144.3	-177.1	-71.4	172.1	-177.7	-101.2	-0.1	111.8	D578 L579 R580 I594	D578-R582 VanDerWaalsContact O-CD 3.31Å; D578-R582 WeakPolarHBondContact O-CD 3.5Å; D578-R582 VanDerWaalsContact O-CG 3.24Å; D578-R582 WeakPolarHBondContact O-CG 3.41Å; L579-R582 PolarHBondContact O-N 2.81Å; R580-R582 VanDerWaalsContact C-N 3.3Å; R582-I594 HydrophobicContact CB-CD1 4.1Å
583	T	92.6	Very high	90.6	Very high	94 Å²	94	65.9 Å²	65.9	58%	0.577	31%	0.311	S	S	*	.	S	Bend	trans	-92.8	-24.1	172.7	52.8	0	0	0	0	112.8	I594	T583-I594 PolarHBondContact O-N 3.09Å
584	Y	94.3	Very high	90.8	Very high	99 Å²	99	65.5 Å²	65.5	39%	0.388	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	163.8	177.3	70.6	-85.4	0	0	0	111.4	M586 R591 V592	Y584-M586 HydrophobicContact CD2-SD 4.2Å; Y584-M586 HydrophobicContact CE2-CG 4.23Å; Y584-M586 HydrophobicContact CE2-SD 4.01Å; Y584-R591 VanDerWaalsContact CD1-NH2 3.3Å; Y584-R591 HydrophobicContact CD2-CG 3.7Å; Y584-R591 HydrophobicContact CE2-CG 4.44Å; Y584-R591 HydrophobicContact CG-CG 3.99Å; Y584-V592 CarbonylContact C-O 3.25Å; Y584-V592 WeakPolarHBondContact CA-O 3.27Å; Y584-V592 WeakPolarHBondContact CB-O 3.25Å
585	V	94	Very high	90.8	Very high	5 Å²	5	70.7 Å²	70.7	3%	0.03	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	152.3	168.7	-72.6	0	0	0	0	110	F533 I569 L574 L579 M587 V592 I594	F533-V585 HydrophobicContact CE2-CG2 4.36Å; I569-V585 HydrophobicContact CD1-CB 3.76Å; I569-V585 HydrophobicContact CD1-CG1 4.17Å; I569-V585 HydrophobicContact CD1-CG2 4.06Å; L574-V585 HydrophobicContact CD1-CG1 3.68Å; L579-V585 HydrophobicContact CD2-CG1 4.45Å; V585-M587 HydrophobicContact CG2-CG 4.25Å; V585-M587 HydrophobicContact CG2-SD 4.06Å; V585-V592 HydrophobicContact CG2-CB 4.16Å; V585-V592 PolarHBondContact N-O 2.77Å; V585-V592 PolarHBondContact O-N 2.97Å; V585-I594 HydrophobicContact CG1-CD1 3.69Å; V585-I594 HydrophobicContact CG2-CD1 4.33Å; V585-I594 HydrophobicContact CG2-CG1 4.45Å
586	M	93.2	Very high	90.8	Very high	95 Å²	95	74.3 Å²	74.3	47%	0.468	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123.6	173.3	-64.3	-58.8	-66.4	0	0	108.9	Y584 D589 Q590 R591	Y584-M586 HydrophobicContact CD2-SD 4.2Å; Y584-M586 HydrophobicContact CE2-CG 4.23Å; Y584-M586 HydrophobicContact CE2-SD 4.01Å; M586-D589 WeakPolarHBondContact CE-O 3.29Å; M586-Q590 WeakPolarHBondContact CA-O 3.21Å; M586-R591 HydrophobicContact SD-CB 4.06Å; M586-R591 HydrophobicContact SD-CG 4.37Å
587	M	91	Very high	90.9	Very high	0 Å²	0	75.7 Å²	75.7	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	100.3	-176.4	-79.7	176.8	79.5	0	0	108.1	F533 R566 H567 I569 V585 Q590 V592 L634	F533-M587 HydrophobicContact CB-CE 4.21Å; F533-M587 HydrophobicContact CD2-CE 3.46Å; F533-M587 VanDerWaalsContact CD2-CE 3.46Å; F533-M587 HydrophobicContact CD2-SD 3.77Å; F533-M587 HydrophobicContact CE2-CE 4.19Å; F533-M587 HydrophobicContact CE2-SD 3.89Å; F533-M587 HydrophobicContact CG-CE 4.17Å; R566-M587 VanDerWaalsContact O-CB 3.31Å; R566-M587 WeakPolarHBondContact O-CB 3.5Å; R566-M587 WeakPolarHBondContact O-CE 3.42Å; H567-M587 VanDerWaalsContact CA-CE 3.5Å; I569-M587 HydrophobicContact CD1-CG 3.96Å; I569-M587 HydrophobicContact CG1-CG 3.74Å; V585-M587 HydrophobicContact CG2-CG 4.25Å; V585-M587 HydrophobicContact CG2-SD 4.06Å; M587-Q590 PolarHBondContact N-O 3.04Å; M587-Q590 WeakPolarHBondContact O-CB 3.41Å; M587-Q590 PolarHBondContact O-N 2.93Å; M587-Q590 VanDerWaalsContact O-N 3.14Å; M587-V592 HydrophobicContact CB-CG2 3.97Å; M587-V592 HydrophobicContact CG-CG2 4.22Å; M587-V592 HydrophobicContact SD-CB 3.91Å; M587-V592 HydrophobicContact SD-CG1 4.12Å; M587-V592 HydrophobicContact SD-CG2 3.68Å; M587-L634 HydrophobicContact CE-CD1 3.79Å; M587-L634 HydrophobicContact SD-CD1 4.29Å
588	N	85.7	Confident	90.8	Very high	66 Å²	66	76.6 Å²	76.6	35%	0.353	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	58.9	-175	-166.4	54.9	0	0	0	112.9	F562 Q590	F562-N588 WeakPolarHBondContact CE2-ND2 3.05Å; N588-Q590 PolarHBondContact O-N 3.26Å
589	D	85.7	Confident	90.5	Very high	151 Å²	151	82.2 Å²	82.2	81%	0.807	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.9	6.1	-176.7	-56.5	-40.2	0	0	0	116.2	M586	M586-D589 WeakPolarHBondContact CE-O 3.29Å
590	Q	90.6	Very high	90.2	Very high	41 Å²	41	86 Å²	86	19%	0.192	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	139.4	176.2	-62	-179.4	-30.6	0	0	111.2	M586 M587 N588 W605	M586-Q590 WeakPolarHBondContact CA-O 3.21Å; M587-Q590 PolarHBondContact N-O 3.04Å; M587-Q590 WeakPolarHBondContact O-CB 3.41Å; M587-Q590 PolarHBondContact O-N 2.93Å; M587-Q590 VanDerWaalsContact O-N 3.14Å; N588-Q590 PolarHBondContact O-N 3.26Å; Q590-W605 VanDerWaalsContact OE1-CE2 3.29Å; Q590-W605 VanDerWaalsContact OE1-NE1 3.12Å
591	R	93.6	Very high	90.6	Very high	127 Å²	127	80.2 Å²	80.2	48%	0.479	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.2	177.5	-170.9	174	-177.5	-172.6	-1.4	110.1	Y584 M586 M593 P606	Y584-R591 VanDerWaalsContact CD1-NH2 3.3Å; Y584-R591 HydrophobicContact CD2-CG 3.7Å; Y584-R591 HydrophobicContact CE2-CG 4.44Å; Y584-R591 HydrophobicContact CG-CG 3.99Å; M586-R591 HydrophobicContact SD-CB 4.06Å; M586-R591 HydrophobicContact SD-CG 4.37Å; R591-M593 HydrophobicContact CG-SD 4.16Å; R591-M593 PolarHBondContact NE-SD 2.97Å; R591-P606 WeakPolarHBondContact O-CD 3.4Å
592	V	96.1	Very high	90.9	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.5	173.3	178.5	0	0	0	0	108.2	Y584 V585 M587 L603 W605 L634	Y584-V592 CarbonylContact C-O 3.25Å; Y584-V592 WeakPolarHBondContact CA-O 3.27Å; Y584-V592 WeakPolarHBondContact CB-O 3.25Å; V585-V592 HydrophobicContact CG2-CB 4.16Å; V585-V592 PolarHBondContact N-O 2.77Å; V585-V592 PolarHBondContact O-N 2.97Å; M587-V592 HydrophobicContact CB-CG2 3.97Å; M587-V592 HydrophobicContact CG-CG2 4.22Å; M587-V592 HydrophobicContact SD-CB 3.91Å; M587-V592 HydrophobicContact SD-CG1 4.12Å; M587-V592 HydrophobicContact SD-CG2 3.68Å; V592-L603 HydrophobicContact CG1-CB 3.74Å; V592-L603 HydrophobicContact CG1-CD2 4.2Å; V592-L603 HydrophobicContact CG1-CG 4.42Å; V592-W605 HydrophobicContact CG2-CB 4.22Å; V592-W605 HydrophobicContact CG2-CG 4.2Å; V592-L634 HydrophobicContact CG2-CD1 4.38Å
593	M	96	Very high	91.2	Very high	51 Å²	51	68.7 Å²	68.7	25%	0.251	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	134.5	-177	-59.7	-62.4	-65.7	0	0	109.8	R591 L603 F604 P606	R591-M593 HydrophobicContact CG-SD 4.16Å; R591-M593 PolarHBondContact NE-SD 2.97Å; M593-L603 WeakPolarHBondContact O-CA 3.38Å; M593-F604 HydrophobicContact CB-CB 4.3Å; M593-F604 HydrophobicContact CB-CD1 4.31Å; M593-F604 HydrophobicContact CG-CD1 4.34Å; M593-F604 PolarHBondContact N-O 2.61Å; M593-F604 PolarHBondContact O-N 2.84Å; M593-P606 HydrophobicContact CG-CG 4.25Å
594	I	95.1	Very high	91.4	Very high	17 Å²	17	65.7 Å²	65.7	9%	0.087	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.8	173.3	-61	170.4	0	0	0	107.5	L579 R582 T583 V585 F601 E602 L603	L579-I594 HydrophobicContact CB-CD1 4.35Å; L579-I594 HydrophobicContact CD2-CD1 3.75Å; R582-I594 HydrophobicContact CB-CD1 4.1Å; T583-I594 PolarHBondContact O-N 3.09Å; V585-I594 HydrophobicContact CG1-CD1 3.69Å; V585-I594 HydrophobicContact CG2-CD1 4.33Å; V585-I594 HydrophobicContact CG2-CG1 4.45Å; I594-F601 HydrophobicContact CG2-CD1 3.87Å; I594-E602 WeakPolarHBondContact CA-O 3.49Å; I594-L603 HydrophobicContact CG1-CD2 3.94Å
595	R	92.9	Very high	91.4	Very high	113 Å²	113	61 Å²	61	43%	0.426	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.9	176.1	-64.5	178.4	178.1	170.5	-0.1	109	F601 E602	R595-F601 CarbonylContact O-C 3.51Å; R595-F601 WeakPolarHBondContact O-CA 3.44Å; R595-E602 HydrophobicContact CB-CB 4.38Å; R595-E602 PolarHBondContact N-O 3.35Å; R595-E602 PolarHBondContact O-N 2.7Å
596	R	89.3	Confident	91.4	Very high	164 Å²	164	63.7 Å²	63.7	62%	0.619	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.3	170.8	-174.2	179.9	177	-166.6	0.9	108.6	G598 F601	R596-G598 PolarHBondContact NE-O 2.84Å; R596-F601 HydrophobicContact CB-CD1 4.27Å; R596-F601 HydrophobicContact CB-CE1 4.14Å; R596-F601 HydrophobicContact CG-CE1 4.24Å
597	V	88.9	Confident	91.4	Very high	53 Å²	53	66.9 Å²	66.9	32%	0.321	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	99.4	178.6	-177.2	0	0	0	0	108	K599 Y600 E602	V597-K599 PolarHBondContact O-N 3.01Å; V597-K599 VanDerWaalsContact O-N 3.08Å; V597-Y600 HydrophobicContact CB-CD2 4.15Å; V597-Y600 HydrophobicContact CB-CE2 3.59Å; V597-Y600 HydrophobicContact CG1-CE2 3.87Å; V597-Y600 WeakPolarHBondContact CG1-OH 3.44Å; V597-Y600 HydrophobicContact CG2-CE2 4.49Å; V597-Y600 PolarHBondContact N-O 2.79Å; V597-Y600 WeakPolarHBondContact O-CD1 3.17Å; V597-Y600 WeakPolarHBondContact O-CE1 3.45Å; V597-Y600 PolarHBondContact O-N 3.37Å; V597-Y600 VanDerWaalsContact O-N 3.17Å; V597-E602 HydrophobicContact CG2-CG 4.13Å; V597-E602 WeakPolarHBondContact CG2-OE2 3.2Å
598	G	85.3	Confident	91.3	Very high	61 Å²	61	67.7 Å²	67.7	63%	0.629	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.2	-112	-174.7	0	0	0	0	0	112.7	R596	R596-G598 PolarHBondContact NE-O 2.84Å
599	K	81.7	Confident	91.8	Very high	170 Å²	170	70.7 Å²	70.7	74%	0.739	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-15.6	-177.8	-67.5	-173.8	179.6	-179.1	0	114.3	V597	V597-K599 PolarHBondContact O-N 3.01Å; V597-K599 VanDerWaalsContact O-N 3.08Å
600	Y	86	Confident	92.2	Very high	82 Å²	82	64.6 Å²	64.6	32%	0.322	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	168.4	-173.9	56.2	-94.3	0	0	0	112.8	V597 E602 R613	V597-Y600 HydrophobicContact CB-CD2 4.15Å; V597-Y600 HydrophobicContact CB-CE2 3.59Å; V597-Y600 HydrophobicContact CG1-CE2 3.87Å; V597-Y600 WeakPolarHBondContact CG1-OH 3.44Å; V597-Y600 HydrophobicContact CG2-CE2 4.49Å; V597-Y600 PolarHBondContact N-O 2.79Å; V597-Y600 WeakPolarHBondContact O-CD1 3.17Å; V597-Y600 WeakPolarHBondContact O-CE1 3.45Å; V597-Y600 PolarHBondContact O-N 3.37Å; V597-Y600 VanDerWaalsContact O-N 3.17Å; Y600-E602 HydrophobicContact CD2-CG 4.06Å; Y600-E602 HydrophobicContact CE2-CG 3.93Å; Y600-E602 WeakPolarHBondContact CE2-OE1 3.34Å; Y600-R613 HydrophobicContact CD2-CG 3.58Å; Y600-R613 HydrophobicContact CE2-CG 4.04Å; Y600-R613 HydrophobicContact CG-CG 4.18Å
601	F	91.4	Very high	92.5	Very high	14 Å²	14	65.3 Å²	65.3	6%	0.061	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	146.2	175.1	-68.2	-83.4	0	0	0	110.5	L576 R580 I594 R595 R596 L614	L576-F601 HydrophobicContact CD1-CD2 3.69Å; L576-F601 HydrophobicContact CD1-CE2 3.79Å; L576-F601 HydrophobicContact CG-CE2 4.13Å; R580-F601 HydrophobicContact CB-CE1 4.21Å; R580-F601 HydrophobicContact CB-CZ 3.75Å; R580-F601 HydrophobicContact CG-CE1 4.44Å; R580-F601 HydrophobicContact CG-CZ 4.01Å; I594-F601 HydrophobicContact CG2-CD1 3.87Å; R595-F601 CarbonylContact O-C 3.51Å; R595-F601 WeakPolarHBondContact O-CA 3.44Å; R596-F601 HydrophobicContact CB-CD1 4.27Å; R596-F601 HydrophobicContact CB-CE1 4.14Å; R596-F601 HydrophobicContact CG-CE1 4.24Å; F601-L614 HydrophobicContact CB-CB 4.36Å; F601-L614 HydrophobicContact CB-CD1 4.28Å; F601-L614 HydrophobicContact CB-CD2 4.25Å; F601-L614 PolarHBondContact O-N 2.83Å
602	E	95.3	Very high	92.6	Very high	38 Å²	38	59.2 Å²	59.2	18%	0.178	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	139.4	173.4	-65.8	-177.5	163.5	0	0	109.9	I594 R595 V597 Y600 V611 A612 R613	I594-E602 WeakPolarHBondContact CA-O 3.49Å; R595-E602 HydrophobicContact CB-CB 4.38Å; R595-E602 PolarHBondContact N-O 3.35Å; R595-E602 PolarHBondContact O-N 2.7Å; V597-E602 HydrophobicContact CG2-CG 4.13Å; V597-E602 WeakPolarHBondContact CG2-OE2 3.2Å; Y600-E602 HydrophobicContact CD2-CG 4.06Å; Y600-E602 HydrophobicContact CE2-CG 3.93Å; Y600-E602 WeakPolarHBondContact CE2-OE1 3.34Å; E602-V611 HydrophobicContact CB-CG1 4.01Å; E602-V611 HydrophobicContact CG-CG1 4.18Å; E602-A612 CarbonylContact C-O 3.51Å; E602-A612 WeakPolarHBondContact CA-O 3.29Å; E602-R613 HydrophobicContact CG-CB 4.43Å
603	L	96	Very high	92.6	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111.2	167.6	-58.1	177.3	0	0	0	107.6	F533 V592 M593 I594 V611 A612 L614 I630	F533-L603 HydrophobicContact CB-CD1 4.28Å; F533-L603 HydrophobicContact CD1-CD1 3.47Å; F533-L603 VanDerWaalsContact CD1-CD1 3.47Å; F533-L603 HydrophobicContact CD2-CD1 4.31Å; F533-L603 HydrophobicContact CE1-CD1 3.74Å; F533-L603 HydrophobicContact CE1-CD2 4.13Å; F533-L603 HydrophobicContact CE1-CG 4.46Å; F533-L603 HydrophobicContact CG-CD1 3.77Å; F533-L603 HydrophobicContact CZ-CD1 4.26Å; F533-L603 HydrophobicContact CZ-CD2 4.25Å; V592-L603 HydrophobicContact CG1-CB 3.74Å; V592-L603 HydrophobicContact CG1-CD2 4.2Å; V592-L603 HydrophobicContact CG1-CG 4.42Å; M593-L603 WeakPolarHBondContact O-CA 3.38Å; I594-L603 HydrophobicContact CG1-CD2 3.94Å; L603-V611 CarbonylContact O-C 3.56Å; L603-V611 WeakPolarHBondContact O-CA 3.11Å; L603-A612 HydrophobicContact CB-CB 4.39Å; L603-A612 PolarHBondContact N-O 3.48Å; L603-A612 PolarHBondContact O-N 3.47Å; L603-L614 HydrophobicContact CD1-CD1 4Å; L603-L614 HydrophobicContact CD2-CD1 4.1Å; L603-L614 HydrophobicContact CG-CD1 3.62Å; L603-I630 HydrophobicContact CD1-CG2 4.06Å
604	F	96.4	Very high	92.5	Very high	32 Å²	32	61.9 Å²	61.9	14%	0.14	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	113	169.9	173.4	-117.2	0	0	0	109.1	M593 P606 V611	M593-F604 HydrophobicContact CB-CB 4.3Å; M593-F604 HydrophobicContact CB-CD1 4.31Å; M593-F604 HydrophobicContact CG-CD1 4.34Å; M593-F604 PolarHBondContact N-O 2.61Å; M593-F604 PolarHBondContact O-N 2.84Å; F604-P606 HydrophobicContact CD1-CG 3.97Å; F604-P606 HydrophobicContact CE1-CB 3.9Å; F604-P606 HydrophobicContact CE1-CG 3.76Å; F604-P606 HydrophobicContact CZ-CB 4.23Å; F604-P606 HydrophobicContact CZ-CG 4.49Å; F604-P606 WeakPolarHBondContact O-CD 3.45Å; F604-V611 HydrophobicContact CD2-CG2 3.74Å; F604-V611 HydrophobicContact CE2-CG2 4.5Å
605	W	95.9	Very high	92.3	Very high	1 Å²	1	63.7 Å²	63.7	0%	0.004	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	104	174.2	-179.9	40.8	0	0	0	109.6	R566 Q590 V592 Y607 N609 I610 L634 L636	R566-W605 VanDerWaalsContact CZ-CH2 3.41Å; Q590-W605 VanDerWaalsContact OE1-CE2 3.29Å; Q590-W605 VanDerWaalsContact OE1-NE1 3.12Å; V592-W605 HydrophobicContact CG2-CB 4.22Å; V592-W605 HydrophobicContact CG2-CG 4.2Å; W605-Y607 HydrophobicContact CH2-CD1 4.09Å; W605-Y607 AromaticContact CZ2-CD1 3.54Å; W605-Y607 HydrophobicContact CZ2-CD1 3.54Å; W605-Y607 HydrophobicContact CZ2-CE1 4.44Å; W605-Y607 HydrophobicContact CZ2-CG 4.29Å; W605-Y607 PolarHBondContact O-N 2.87Å; W605-N609 WeakPolarHBondContact O-CA 3.18Å; W605-N609 PolarHBondContact O-N 3.27Å; W605-I610 HydrophobicContact CE3-CB 4.31Å; W605-I610 HydrophobicContact CE3-CD1 4.01Å; W605-I610 HydrophobicContact CE3-CG1 4.35Å; W605-I610 HydrophobicContact CZ3-CD1 3.96Å; W605-I610 PolarHBondContact N-O 3.49Å; W605-I610 PolarHBondContact O-N 2.71Å; W605-L634 HydrophobicContact CB-CD1 4.47Å; W605-L634 HydrophobicContact CB-CD2 3.92Å; W605-L634 HydrophobicContact CD2-CB 4.42Å; W605-L634 HydrophobicContact CE3-CB 3.83Å; W605-L634 HydrophobicContact CE3-CD2 4.31Å; W605-L634 HydrophobicContact CZ3-CB 4.2Å; W605-L636 HydrophobicContact CH2-CD1 3.65Å; W605-L636 HydrophobicContact CH2-CG 3.82Å; W605-L636 HydrophobicContact CZ2-CD1 4.4Å; W605-L636 HydrophobicContact CZ3-CD1 4.16Å; W605-L636 HydrophobicContact CZ3-CG 3.9Å
606	P	94	Very high	91.9	Very high	61 Å²	61	62.7 Å²	62.7	40%	0.396	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-34.4	-169.6	-20.2	33.3	0	0	0	113.6	R591 M593 F604 G608 N609	R591-P606 WeakPolarHBondContact O-CD 3.4Å; M593-P606 HydrophobicContact CG-CG 4.25Å; F604-P606 HydrophobicContact CD1-CG 3.97Å; F604-P606 HydrophobicContact CE1-CB 3.9Å; F604-P606 HydrophobicContact CE1-CG 3.76Å; F604-P606 HydrophobicContact CZ-CB 4.23Å; F604-P606 HydrophobicContact CZ-CG 4.49Å; F604-P606 WeakPolarHBondContact O-CD 3.45Å; P606-G608 PolarHBondContact O-N 3.27Å; P606-N609 PolarHBondContact O-N 3.45Å
607	Y	91.8	Very high	91.4	Very high	162 Å²	162	56.1 Å²	56.1	64%	0.635	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-43.7	-177.5	-179.8	-96.9	0	0	0	112.1	W605 L636	W605-Y607 HydrophobicContact CH2-CD1 4.09Å; W605-Y607 AromaticContact CZ2-CD1 3.54Å; W605-Y607 HydrophobicContact CZ2-CD1 3.54Å; W605-Y607 HydrophobicContact CZ2-CE1 4.44Å; W605-Y607 HydrophobicContact CZ2-CG 4.29Å; W605-Y607 PolarHBondContact O-N 2.87Å; Y607-L636 HydrophobicContact CD1-CD1 3.67Å; Y607-L636 HydrophobicContact CE1-CD1 3.54Å
608	G	90.7	Very high	91.4	Very high	16 Å²	16	53.9 Å²	53.9	17%	0.165	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-6.1	175.5	0	0	0	0	0	114.6	P606 I610	P606-G608 PolarHBondContact O-N 3.27Å; G608-I610 WeakPolarHBondContact O-CG1 3.42Å; G608-I610 PolarHBondContact O-N 3.29Å
609	N	94.7	Very high	91.8	Very high	129 Å²	129	52.5 Å²	52.5	69%	0.69	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.2	39.8	-167.9	-166.6	37.1	0	0	0	113	W605 P606	W605-N609 WeakPolarHBondContact O-CA 3.18Å; W605-N609 PolarHBondContact O-N 3.27Å; P606-N609 PolarHBondContact O-N 3.45Å
610	I	95.2	Very high	92.3	Very high	24 Å²	24	45.9 Å²	45.9	12%	0.123	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134.7	-177.9	-59.6	178.3	0	0	0	109.4	W605 G608 L634 I635	W605-I610 HydrophobicContact CE3-CB 4.31Å; W605-I610 HydrophobicContact CE3-CD1 4.01Å; W605-I610 HydrophobicContact CE3-CG1 4.35Å; W605-I610 HydrophobicContact CZ3-CD1 3.96Å; W605-I610 PolarHBondContact N-O 3.49Å; W605-I610 PolarHBondContact O-N 2.71Å; G608-I610 WeakPolarHBondContact O-CG1 3.42Å; G608-I610 PolarHBondContact O-N 3.29Å; I610-L634 HydrophobicContact CB-CD2 4.24Å; I610-L634 HydrophobicContact CG2-CD2 3.88Å; I610-I635 WeakPolarHBondContact CD1-O 3.09Å
611	V	96.1	Very high	92.7	Very high	55 Å²	55	42.4 Å²	42.4	33%	0.333	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128	169.7	-178.1	0	0	0	0	108.5	E602 L603 F604 N632	E602-V611 HydrophobicContact CB-CG1 4.01Å; E602-V611 HydrophobicContact CG-CG1 4.18Å; L603-V611 CarbonylContact O-C 3.56Å; L603-V611 WeakPolarHBondContact O-CA 3.11Å; F604-V611 HydrophobicContact CD2-CG2 3.74Å; F604-V611 HydrophobicContact CE2-CG2 4.5Å; V611-N632 WeakPolarHBondContact O-CB 3.4Å; V611-N632 PolarHBondContact O-ND2 2.99Å
612	A	96.6	Very high	92.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.4	173	0	0	0	0	0	109.7	E602 L603 I630 N632 L634	E602-A612 CarbonylContact C-O 3.51Å; E602-A612 WeakPolarHBondContact CA-O 3.29Å; L603-A612 HydrophobicContact CB-CB 4.39Å; L603-A612 PolarHBondContact N-O 3.48Å; L603-A612 PolarHBondContact O-N 3.47Å; A612-I630 HydrophobicContact CB-CB 4.25Å; A612-I630 HydrophobicContact CB-CD1 4.22Å; A612-N632 HydrophobicContact CB-CB 3.81Å; A612-N632 WeakPolarHBondContact CB-O 3.46Å; A612-L634 HydrophobicContact CB-CD2 4.16Å
613	R	95.6	Very high	92.4	Very high	97 Å²	97	40.5 Å²	40.5	37%	0.366	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	137.2	177.6	-177.4	-174.1	64.7	173.3	2.8	109.7	Y600 E602 I630 D631	Y600-R613 HydrophobicContact CD2-CG 3.58Å; Y600-R613 HydrophobicContact CE2-CG 4.04Å; Y600-R613 HydrophobicContact CG-CG 4.18Å; E602-R613 HydrophobicContact CG-CB 4.43Å; R613-I630 WeakPolarHBondContact O-CA 3.49Å; R613-D631 WeakPolarHBondContact CB-OD1 3.42Å; R613-D631 IonicContact CZ-OD2 3.32Å; R613-D631 PolarHBondContact N-OD1 2.91Å; R613-D631 IonicContact NE-OD2 2.88Å; R613-D631 PolarHBondContact NE-OD2 2.8Å; R613-D631 IonicContact NH2-OD2 2.86Å; R613-D631 PolarHBondContact O-N 3.22Å
614	L	94.7	Very high	91.9	Very high	9 Å²	9	40.7 Å²	40.7	5%	0.047	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	133.8	170.2	-82.4	70.7	0	0	0	109.8	F533 L576 L579 F601 L603 E616 H628 L629 I630	F533-L614 HydrophobicContact CE1-CD2 4.42Å; L576-L614 HydrophobicContact CD1-CD2 4.38Å; L579-L614 HydrophobicContact CD1-CD2 3.76Å; F601-L614 HydrophobicContact CB-CB 4.36Å; F601-L614 HydrophobicContact CB-CD1 4.28Å; F601-L614 HydrophobicContact CB-CD2 4.25Å; F601-L614 PolarHBondContact O-N 2.83Å; L603-L614 HydrophobicContact CD1-CD1 4Å; L603-L614 HydrophobicContact CD2-CD1 4.1Å; L603-L614 HydrophobicContact CG-CD1 3.62Å; L614-E616 PolarHBondContact O-N 2.8Å; L614-H628 HydrophobicContact CD2-CB 4.01Å; L614-H628 HydrophobicContact CG-CB 4.39Å; L614-L629 WeakPolarHBondContact CA-O 3.36Å; L614-I630 HydrophobicContact CD1-CG2 4.17Å; L614-I630 HydrophobicContact CG-CG2 4.27Å
615	Y	90.9	Very high	91.6	Very high	55 Å²	55	39.4 Å²	39.4	22%	0.216	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	132.9	171.1	-76	-96.9	0	0	0	109.9	T536 E538 G617 G618 L629 D631	T536-Y615 HydrophobicContact CG2-CD2 3.95Å; T536-Y615 HydrophobicContact CG2-CE2 3.36Å; T536-Y615 WeakPolarHBondContact OG1-CE2 3.46Å; T536-Y615 PolarHBondContact OG1-OH 3.34Å; E538-Y615 PolarHBondContact OE2-OH 3.06Å; Y615-G617 PolarHBondContact O-N 3.5Å; Y615-G618 PolarHBondContact O-N 3.32Å; Y615-L629 HydrophobicContact CD2-CB 3.8Å; Y615-L629 HydrophobicContact CG-CB 4.32Å; Y615-L629 PolarHBondContact N-O 2.58Å; Y615-D631 HydrophobicContact CD2-CB 4.46Å; Y615-D631 HydrophobicContact CE2-CB 3.68Å
616	E	82.6	Confident	91.5	Very high	93 Å²	93	40.6 Å²	40.6	44%	0.435	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	118	175	173.5	155.8	-156.8	0	0	110	R442 L614 G618	R442-E616 IonicContact CZ-OE1 2.63Å; R442-E616 IonicContact NH1-OE1 3.97Å; R442-E616 PolarHBondContact NH1-OE1 3.48Å; R442-E616 IonicContact NH2-OE1 3.51Å; R442-E616 PolarHBondContact NH2-OE1 2.92Å; L614-E616 PolarHBondContact O-N 2.8Å; E616-G618 PolarHBondContact O-N 3.03Å
617	G	80.6	Confident	91.5	Very high	25 Å²	25	37.7 Å²	37.7	26%	0.258	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	75.5	10.5	-173.8	0	0	0	0	0	114.2	R442 Y615 E619	R442-G617 VanDerWaalsContact NH1-N 3.11Å; Y615-G617 PolarHBondContact O-N 3.5Å; G617-E619 PolarHBondContact O-N 3.13Å
618	G	88.8	Confident	91.7	Very high	7 Å²	7	30.1 Å²	30.1	7%	0.072	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	19.3	173.5	0	0	0	0	0	114.4	Y615 E616 L629	Y615-G618 PolarHBondContact O-N 3.32Å; E616-G618 PolarHBondContact O-N 3.03Å; G618-L629 WeakPolarHBondContact O-CG 3.03Å; G618-L629 PolarHBondContact O-N 2.7Å
619	E	92.3	Very high	92	Very high	32 Å²	32	29.4 Å²	29.4	15%	0.15	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	127.7	170.7	177	179.2	-134.7	0	0	109	R575 L576 G617 F626 M627 H628	R575-E619 WeakPolarHBondContact CA-OE1 2.99Å; R575-E619 WeakPolarHBondContact CB-OE1 3.45Å; L576-E619 PolarHBondContact N-OE1 3.21Å; G617-E619 PolarHBondContact O-N 3.13Å; E619-F626 HydrophobicContact CG-CD1 4.25Å; E619-M627 CarbonylContact C-O 3.58Å; E619-M627 WeakPolarHBondContact CA-O 3.42Å; E619-H628 IonicContact OE1-CE1 3.61Å
620	I	93.8	Very high	92.1	Very high	31 Å²	31	23.3 Å²	23.3	16%	0.159	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.2	177.3	-48.4	171	0	0	0	109.2	G461 I495 M627 L629	G461-I620 WeakPolarHBondContact O-CA 3.48Å; I495-I620 HydrophobicContact CD1-CG2 4.05Å; I495-I620 HydrophobicContact CG2-CD1 4.25Å; I495-I620 HydrophobicContact CG2-CG2 4.04Å; I620-M627 HydrophobicContact CB-CB 4.31Å; I620-M627 HydrophobicContact CB-CE 3.95Å; I620-M627 HydrophobicContact CD1-CE 4.12Å; I620-M627 HydrophobicContact CG2-CE 4.07Å; I620-M627 PolarHBondContact N-O 3.44Å; I620-M627 PolarHBondContact O-N 2.69Å; I620-L629 HydrophobicContact CD1-CD1 4.49Å; I620-L629 HydrophobicContact CD1-CD2 4.25Å; I620-L629 HydrophobicContact CD1-CG 4.42Å
621	A	92.5	Very high	92.1	Very high	8 Å²	8	22.9 Å²	22.9	7%	0.066	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	129.5	176.4	0	0	0	0	0	110.5	G460 G461 V462 P488 F626	G460-A621 VanDerWaalsContact O-CB 3.3Å; G460-A621 WeakPolarHBondContact O-CB 3.29Å; G461-A621 PolarHBondContact O-N 2.92Å; V462-A621 HydrophobicContact CG2-CB 4.06Å; P488-A621 HydrophobicContact CB-CB 4.22Å; A621-F626 HydrophobicContact CB-CD1 4.17Å; A621-F626 HydrophobicContact CB-CE1 3.85Å
622	A	91.4	Very high	92.1	Very high	4 Å²	4	22.1 Å²	22.1	3%	0.033	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	159.2	174	0	0	0	0	0	110	P488 Q490 M492 I495 N624 G625	P488-A622 WeakPolarHBondContact CB-O 3.41Å; P488-A622 WeakPolarHBondContact CG-O 3.43Å; Q490-A622 WeakPolarHBondContact O-CA 3.44Å; M492-A622 HydrophobicContact CB-CB 4.27Å; M492-A622 HydrophobicContact CE-CB 4.24Å; M492-A622 HydrophobicContact CG-CB 3.35Å; I495-A622 HydrophobicContact CD1-CB 3.83Å; A622-N624 PolarHBondContact O-N 2.94Å; A622-N624 VanDerWaalsContact O-N 3.12Å; A622-G625 CarbonylContact C-O 3.59Å; A622-G625 WeakPolarHBondContact CA-O 3.16Å; A622-G625 PolarHBondContact N-O 3.15Å; A622-G625 PolarHBondContact O-N 2.86Å
623	I	89	Confident	92.1	Very high	9 Å²	9	22.1 Å²	22.1	5%	0.046	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-33.1	-178.1	-69.3	167	0	0	0	111.8	P393 V396 P488 Q490 V523	P393-I623 HydrophobicContact CG-CD1 3.75Å; V396-I623 HydrophobicContact CG2-CG1 4.35Å; V396-I623 HydrophobicContact CG2-CG2 4.23Å; P488-I623 HydrophobicContact CB-CG1 4.33Å; Q490-I623 WeakPolarHBondContact O-CG1 3.44Å; Q490-I623 PolarHBondContact O-N 3.15Å; V523-I623 HydrophobicContact CB-CG2 4.03Å; V523-I623 HydrophobicContact CG1-CG2 3.16Å; V523-I623 HydrophobicContact CG2-CG2 3.79Å
624	N	86.3	Confident	92	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.021	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.6	18.5	-179.2	57.1	-33.5	0	0	0	113.7	M492 L518 P520 H528 N529 F530 A622	M492-N624 WeakPolarHBondContact CG-OD1 3.26Å; M492-N624 PolarHBondContact N-OD1 2.93Å; L518-N624 PolarHBondContact O-ND2 2.83Å; P520-N624 HydrophobicContact CG-CB 4.23Å; H528-N624 WeakPolarHBondContact O-CB 3.36Å; N529-N624 CarbonylContact C-O 3.48Å; F530-N624 HydrophobicContact CD2-CB 4.16Å; F530-N624 PolarHBondContact N-O 3.38Å; A622-N624 PolarHBondContact O-N 2.94Å; A622-N624 VanDerWaalsContact O-N 3.12Å
625	G	90.3	Very high	92	Very high	6 Å²	6	17.7 Å²	17.7	6%	0.062	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134.3	-145.4	171.6	0	0	0	0	0	114.2	F530 A622	F530-G625 VanDerWaalsContact O-CA 3.3Å; F530-G625 WeakPolarHBondContact O-CA 3.37Å; A622-G625 CarbonylContact C-O 3.59Å; A622-G625 WeakPolarHBondContact CA-O 3.16Å; A622-G625 PolarHBondContact N-O 3.15Å; A622-G625 PolarHBondContact O-N 2.86Å
626	F	93.4	Very high	92	Very high	26 Å²	26	16.5 Å²	16.5	11%	0.114	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	143.1	-175.1	-65.1	-84	0	0	0	112	M492 F530 T531 F532 A573 L574 R575 E619 A621	M492-F626 VanDerWaalsContact CE-N 3.34Å; M492-F626 WeakPolarHBondContact CE-O 3.44Å; F530-F626 PolarHBondContact O-N 2.97Å; T531-F626 CarbonylContact C-O 3.58Å; T531-F626 WeakPolarHBondContact CA-O 3.38Å; F532-F626 PolarHBondContact N-O 3.1Å; A573-F626 HydrophobicContact CB-CD2 3.93Å; A573-F626 HydrophobicContact CB-CE2 4.22Å; L574-F626 WeakPolarHBondContact O-CB 3.37Å; R575-F626 HydrophobicContact CG-CD1 4.31Å; R575-F626 HydrophobicContact CG-CD2 3.85Å; R575-F626 HydrophobicContact CG-CE1 3.91Å; R575-F626 HydrophobicContact CG-CE2 3.42Å; R575-F626 VanDerWaalsContact CG-CE2 3.42Å; R575-F626 HydrophobicContact CG-CG 4.3Å; R575-F626 HydrophobicContact CG-CZ 3.47Å; R575-F626 VanDerWaalsContact CG-CZ 3.47Å; E619-F626 HydrophobicContact CG-CD1 4.25Å; A621-F626 HydrophobicContact CB-CD1 4.17Å; A621-F626 HydrophobicContact CB-CE1 3.85Å
627	M	94.8	Very high	92.2	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.8	170.6	-62	-168.1	-56.7	0	0	109.4	M492 I495 V496 F532 V534 E619 I620	M492-M627 HydrophobicContact CB-CG 4.39Å; M492-M627 HydrophobicContact CB-SD 3.8Å; M492-M627 HydrophobicContact CE-CG 4.21Å; M492-M627 HydrophobicContact CG-CG 3.79Å; M492-M627 HydrophobicContact CG-SD 3.85Å; M492-M627 HydrophobicContact SD-CG 4.09Å; I495-M627 HydrophobicContact CB-CE 3.61Å; I495-M627 HydrophobicContact CD1-CE 3.79Å; I495-M627 HydrophobicContact CG1-CE 4.31Å; I495-M627 HydrophobicContact CG2-CE 3.35Å; V496-M627 HydrophobicContact CG2-SD 3.93Å; F532-M627 HydrophobicContact CB-CG 4.24Å; F532-M627 HydrophobicContact CD1-CG 4.43Å; F532-M627 HydrophobicContact CD1-SD 4.21Å; F532-M627 CarbonylContact O-C 3.53Å; F532-M627 VanDerWaalsContact O-CA 3.23Å; F532-M627 WeakPolarHBondContact O-CA 3.37Å; V534-M627 HydrophobicContact CG2-CB 3.79Å; V534-M627 HydrophobicContact CG2-CG 4.01Å; V534-M627 HydrophobicContact CG2-SD 3.92Å; E619-M627 CarbonylContact C-O 3.58Å; E619-M627 WeakPolarHBondContact CA-O 3.42Å; I620-M627 HydrophobicContact CB-CB 4.31Å; I620-M627 HydrophobicContact CB-CE 3.95Å; I620-M627 HydrophobicContact CD1-CE 4.12Å; I620-M627 HydrophobicContact CG2-CE 4.07Å; I620-M627 PolarHBondContact N-O 3.44Å; I620-M627 PolarHBondContact O-N 2.69Å
628	H	95.8	Very high	92.6	Very high	3 Å²	3	22.3 Å²	22.3	1%	0.014	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	116	174.3	-63.2	-72.4	0	0	0	108.5	F532 F533 V534 L574 L614 E619 I630	F532-H628 PolarHBondContact O-N 2.74Å; F533-H628 CarbonylContact C-O 3.56Å; F533-H628 WeakPolarHBondContact CA-O 2.93Å; F533-H628 HydrophobicContact CD1-CB 3.68Å; F533-H628 HydrophobicContact CE1-CB 3.93Å; F533-H628 AromaticContact CE1-CD2 3.95Å; V534-H628 PolarHBondContact N-O 3.31Å; L574-H628 PolarHBondContact O-NE2 2.78Å; L614-H628 HydrophobicContact CD2-CB 4.01Å; L614-H628 HydrophobicContact CG-CB 4.39Å; E619-H628 IonicContact OE1-CE1 3.61Å; H628-I630 PolarHBondContact O-N 3.3Å
629	L	95.9	Very high	92.6	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	131	178.2	-58.7	-170.2	0	0	0	110.3	L502 V534 T536 L614 Y615 G618 I620	L502-L629 HydrophobicContact CD1-CD2 4.05Å; L502-L629 HydrophobicContact CD2-CD2 3.82Å; L502-L629 HydrophobicContact CG-CD2 4.48Å; V534-L629 HydrophobicContact CB-CD2 3.98Å; V534-L629 WeakPolarHBondContact O-CA 3.37Å; T536-L629 HydrophobicContact CG2-CB 4.15Å; T536-L629 HydrophobicContact CG2-CD1 4.38Å; L614-L629 WeakPolarHBondContact CA-O 3.36Å; Y615-L629 HydrophobicContact CD2-CB 3.8Å; Y615-L629 HydrophobicContact CG-CB 4.32Å; Y615-L629 PolarHBondContact N-O 2.58Å; G618-L629 WeakPolarHBondContact O-CG 3.03Å; G618-L629 PolarHBondContact O-N 2.7Å; I620-L629 HydrophobicContact CD1-CD1 4.49Å; I620-L629 HydrophobicContact CD1-CD2 4.25Å; I620-L629 HydrophobicContact CD1-CG 4.42Å
630	I	96.8	Very high	92.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	149.4	178.3	66.2	175.5	0	0	0	111.4	F533 V534 P535 T536 L603 A612 R613 L614 H628 N632	F533-I630 HydrophobicContact CB-CD1 4.14Å; F533-I630 HydrophobicContact CB-CG2 4.07Å; F533-I630 HydrophobicContact CD1-CG2 4.08Å; V534-I630 PolarHBondContact O-N 2.82Å; P535-I630 HydrophobicContact CB-CG1 4.16Å; P535-I630 HydrophobicContact CG-CD1 4.21Å; P535-I630 HydrophobicContact CG-CG1 4.3Å; T536-I630 PolarHBondContact N-O 2.94Å; T536-I630 VanDerWaalsContact N-O 3.1Å; T536-I630 PolarHBondContact OG1-O 2.97Å; L603-I630 HydrophobicContact CD1-CG2 4.06Å; A612-I630 HydrophobicContact CB-CB 4.25Å; A612-I630 HydrophobicContact CB-CD1 4.22Å; R613-I630 WeakPolarHBondContact O-CA 3.49Å; L614-I630 HydrophobicContact CD1-CG2 4.17Å; L614-I630 HydrophobicContact CG-CG2 4.27Å; H628-I630 PolarHBondContact O-N 3.3Å; I630-N632 WeakPolarHBondContact CD1-O 3.44Å; I630-N632 WeakPolarHBondContact CG1-O 3.41Å
631	D	96.2	Very high	91.9	Very high	16 Å²	16	26.6 Å²	26.6	9%	0.086	13%	0.131	C	C	.	.	S	Bend	trans	-96.6	5.4	-175.5	81.9	-18.7	0	0	0	114.3	A539 K542 R613 Y615	A539-D631 WeakPolarHBondContact CA-O 3.45Å; A539-D631 WeakPolarHBondContact CB-O 3.29Å; K542-D631 VanDerWaalsContact CD-O 3.31Å; K542-D631 WeakPolarHBondContact CD-O 3.44Å; K542-D631 VanDerWaalsContact CE-O 3.28Å; K542-D631 WeakPolarHBondContact CE-O 3.34Å; K542-D631 VanDerWaalsContact NZ-CG 3.33Å; K542-D631 PolarHBondContact NZ-O 3.36Å; K542-D631 IonicContact NZ-OD1 3.61Å; K542-D631 IonicContact NZ-OD2 3.57Å; K542-D631 PolarHBondContact NZ-OD2 3.35Å; K542-D631 VanDerWaalsContact NZ-OD2 3.12Å; R613-D631 WeakPolarHBondContact CB-OD1 3.42Å; R613-D631 IonicContact CZ-OD2 3.32Å; R613-D631 PolarHBondContact N-OD1 2.91Å; R613-D631 IonicContact NE-OD2 2.88Å; R613-D631 PolarHBondContact NE-OD2 2.8Å; R613-D631 IonicContact NH2-OD2 2.86Å; R613-D631 PolarHBondContact O-N 3.22Å; Y615-D631 HydrophobicContact CD2-CB 4.46Å; Y615-D631 HydrophobicContact CE2-CB 3.68Å
632	N	96.3	Very high	90.7	Very high	39 Å²	39	28.6 Å²	28.6	21%	0.209	15%	0.148	C	C	.	.	S	Bend	trans	-147	149	176.1	-157.6	-2.6	0	0	0	110	V611 A612 I630	V611-N632 WeakPolarHBondContact O-CB 3.4Å; V611-N632 PolarHBondContact O-ND2 2.99Å; A612-N632 HydrophobicContact CB-CB 3.81Å; A612-N632 WeakPolarHBondContact CB-O 3.46Å; I630-N632 WeakPolarHBondContact CD1-O 3.44Å; I630-N632 WeakPolarHBondContact CG1-O 3.41Å
633	V	95.8	Very high	89.1	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.157	C	C	.	.			trans	-95.5	130.1	-179.2	-167.1	0	0	0	0	109.3	P535 A539 W540 I543 V563 I635	P535-V633 HydrophobicContact CB-CG2 3.74Å; P535-V633 HydrophobicContact CG-CG1 4.19Å; P535-V633 HydrophobicContact CG-CG2 4.18Å; A539-V633 HydrophobicContact CB-CG2 4.09Å; W540-V633 HydrophobicContact CD2-CG2 3.92Å; W540-V633 HydrophobicContact CE3-CG2 4.1Å; W540-V633 HydrophobicContact CG-CG2 4.26Å; W540-V633 HydrophobicContact CH2-CG1 4.02Å; W540-V633 HydrophobicContact CZ2-CG1 4.31Å; W540-V633 HydrophobicContact CZ3-CG1 4.22Å; W540-V633 HydrophobicContact CZ3-CG2 4.45Å; I543-V633 HydrophobicContact CD1-CB 3.79Å; I543-V633 HydrophobicContact CD1-CG1 4.28Å; I543-V633 HydrophobicContact CD1-CG2 3.57Å; I543-V633 HydrophobicContact CG1-CB 4.38Å; I543-V633 HydrophobicContact CG1-CG2 4.24Å; V563-V633 HydrophobicContact CG1-CG1 4.21Å; V633-I635 HydrophobicContact CB-CB 4.35Å; V633-I635 HydrophobicContact CB-CG2 3.96Å; V633-I635 HydrophobicContact CG1-CB 3.89Å; V633-I635 HydrophobicContact CG1-CG2 4.03Å; V633-I635 PolarHBondContact O-N 3.2Å
634	L	94.7	Very high	87.2	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.178	C	C	.	.			trans	-75.8	74.5	172.4	-53.1	-177.1	0	0	0	109.7	R566 H567 M587 V592 W605 I610 A612	R566-L634 WeakPolarHBondContact CD-O 3.3Å; R566-L634 PolarHBondContact NH1-O 3.31Å; H567-L634 PolarHBondContact CE1-N 3.34Å; H567-L634 VanDerWaalsContact CE1-N 3.31Å; H567-L634 PolarHBondContact CE1-O 3.27Å; H567-L634 WeakPolarHBondContact NE2-CB 3.33Å; H567-L634 PolarHBondContact NE2-N 3.36Å; M587-L634 HydrophobicContact CE-CD1 3.79Å; M587-L634 HydrophobicContact SD-CD1 4.29Å; V592-L634 HydrophobicContact CG2-CD1 4.38Å; W605-L634 HydrophobicContact CB-CD1 4.47Å; W605-L634 HydrophobicContact CB-CD2 3.92Å; W605-L634 HydrophobicContact CD2-CB 4.42Å; W605-L634 HydrophobicContact CE3-CB 3.83Å; W605-L634 HydrophobicContact CE3-CD2 4.31Å; W605-L634 HydrophobicContact CZ3-CB 4.2Å; I610-L634 HydrophobicContact CB-CD2 4.24Å; I610-L634 HydrophobicContact CG2-CD2 3.88Å; A612-L634 HydrophobicContact CB-CD2 4.16Å
635	I	93	Very high	85.1	Confident	13 Å²	13	39.3 Å²	39.3	7%	0.067	21%	0.211	C	C	.	.			trans	-131.7	141.5	-173	-165.5	167.9	0	0	0	111.6	W540 I543 F551 V563 I610 V633	W540-I635 HydrophobicContact CZ3-CD1 4.37Å; I543-I635 HydrophobicContact CD1-CD1 4.35Å; I543-I635 HydrophobicContact CD1-CG2 3.77Å; I543-I635 HydrophobicContact CG1-CG2 3.95Å; F551-I635 HydrophobicContact CD1-CD1 4.5Å; F551-I635 HydrophobicContact CD2-CD1 3.59Å; F551-I635 HydrophobicContact CE1-CD1 4.23Å; F551-I635 HydrophobicContact CE2-CD1 3.27Å; F551-I635 HydrophobicContact CE2-CG1 3.8Å; F551-I635 HydrophobicContact CG-CD1 4.21Å; F551-I635 HydrophobicContact CZ-CD1 3.64Å; F551-I635 HydrophobicContact CZ-CG1 3.87Å; V563-I635 HydrophobicContact CG1-CB 4.08Å; V563-I635 HydrophobicContact CG1-CD1 3.98Å; V563-I635 HydrophobicContact CG1-CG1 3.96Å; V563-I635 HydrophobicContact CG2-CD1 4.07Å; V563-I635 HydrophobicContact CG2-CG1 3.8Å; I610-I635 WeakPolarHBondContact CD1-O 3.09Å; V633-I635 HydrophobicContact CB-CB 4.35Å; V633-I635 HydrophobicContact CB-CG2 3.96Å; V633-I635 HydrophobicContact CG1-CB 3.89Å; V633-I635 HydrophobicContact CG1-CG2 4.03Å; V633-I635 PolarHBondContact O-N 3.2Å
636	L	91.4	Very high	82.8	Confident	29 Å²	29	43.9 Å²	43.9	15%	0.152	24%	0.239	C	C	.	.			trans	-122.4	157	177.1	-80.8	179	0	0	0	111.1	W605 Y607 E638 D639	W605-L636 HydrophobicContact CH2-CD1 3.65Å; W605-L636 HydrophobicContact CH2-CG 3.82Å; W605-L636 HydrophobicContact CZ2-CD1 4.4Å; W605-L636 HydrophobicContact CZ3-CD1 4.16Å; W605-L636 HydrophobicContact CZ3-CG 3.9Å; Y607-L636 HydrophobicContact CD1-CD1 3.67Å; Y607-L636 HydrophobicContact CE1-CD1 3.54Å; L636-E638 VanDerWaalsContact C-N 3.26Å; L636-E638 WeakPolarHBondContact CB-OE2 3.1Å; L636-E638 PolarHBondContact O-N 2.96Å; L636-D639 PolarHBondContact N-OD2 3.4Å; L636-D639 WeakPolarHBondContact O-CB 3.35Å; L636-D639 PolarHBondContact O-N 3.24Å
637	Q	87.6	Confident	80.2	Confident	123 Å²	123	47.7 Å²	47.7	58%	0.575	27%	0.266	S	S	*	.	S	Bend	trans	-67.6	-33.4	173.9	-177.3	169.1	-22.8	0	0	111	L547 D639 L640	L547-Q637 HydrophobicContact CD1-CB 4.32Å; L547-Q637 HydrophobicContact CD1-CG 4.22Å; L547-Q637 HydrophobicContact CD2-CB 4.48Å; Q637-D639 PolarHBondContact O-N 3.25Å; Q637-L640 HydrophobicContact CG-CD1 4.5Å; Q637-L640 WeakPolarHBondContact O-CB 3.32Å; Q637-L640 PolarHBondContact O-N 2.83Å
638	E	88.9	Confident	77.6	Confident	117 Å²	117	51.7 Å²	51.7	55%	0.547	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-62.3	-23.1	175.7	-60.1	82.7	-173.8	0	0	112.7	L636 L640 H641	L636-E638 VanDerWaalsContact C-N 3.26Å; L636-E638 WeakPolarHBondContact CB-OE2 3.1Å; L636-E638 PolarHBondContact O-N 2.96Å; E638-L640 PolarHBondContact O-N 2.87Å; E638-L640 VanDerWaalsContact O-N 3.15Å; E638-H641 WeakPolarHBondContact O-CB 3.46Å; E638-H641 PolarHBondContact O-N 2.93Å
639	D	88.7	Confident	75.2	Confident	8 Å²	8	55.8 Å²	55.8	4%	0.043	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-62.7	-22.4	178.3	-68.7	-33.3	0	0	0	112.4	F551 A559 F562 V563 R566 L636 Q637 H641 A642	F551-D639 HydrophobicContact CE1-CB 4.49Å; F551-D639 HydrophobicContact CZ-CB 4.01Å; A559-D639 VanDerWaalsContact CB-O 3.23Å; A559-D639 WeakPolarHBondContact CB-O 3.49Å; F562-D639 WeakPolarHBondContact CE1-OD1 3.47Å; V563-D639 HydrophobicContact CG2-CB 3.91Å; R566-D639 IonicContact CZ-OD1 3.83Å; R566-D639 IonicContact CZ-OD2 3.65Å; R566-D639 IonicContact NH1-OD1 2.75Å; R566-D639 IonicContact NH1-OD2 3.28Å; R566-D639 PolarHBondContact NH1-OD2 3.1Å; R566-D639 IonicContact NH2-OD1 2.81Å; R566-D639 PolarHBondContact NH2-OD1 2.94Å; R566-D639 IonicContact NH2-OD2 3.69Å; R566-D639 PolarHBondContact NH2-OD2 3.32Å; L636-D639 PolarHBondContact N-OD2 3.4Å; L636-D639 WeakPolarHBondContact O-CB 3.35Å; L636-D639 PolarHBondContact O-N 3.24Å; Q637-D639 PolarHBondContact O-N 3.25Å; D639-H641 PolarHBondContact O-N 2.9Å; D639-A642 VanDerWaalsContact O-CB 3.28Å; D639-A642 WeakPolarHBondContact O-CB 3.18Å; D639-A642 PolarHBondContact O-N 3.41Å
640	L	87	Confident	73	Confident	22 Å²	22	58.1 Å²	58.1	12%	0.115	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-58.4	-27.5	172.4	-70.7	173	0	0	0	112.2	L547 K550 F551 N556 Q637 E638	L547-L640 HydrophobicContact CD1-CD1 3.75Å; L547-L640 HydrophobicContact CD1-CG 4.16Å; K550-L640 HydrophobicContact CB-CD1 4.3Å; K550-L640 HydrophobicContact CB-CD2 3.96Å; K550-L640 HydrophobicContact CD-CD1 3.7Å; F551-L640 HydrophobicContact CD1-CD2 4.18Å; F551-L640 HydrophobicContact CD2-CD2 4.09Å; F551-L640 HydrophobicContact CE1-CD2 3.95Å; F551-L640 HydrophobicContact CE2-CD2 3.84Å; F551-L640 HydrophobicContact CE2-CG 4.12Å; F551-L640 HydrophobicContact CG-CD2 4.25Å; F551-L640 HydrophobicContact CZ-CD2 3.76Å; F551-L640 HydrophobicContact CZ-CG 3.99Å; N556-L640 HydrophobicContact CB-CD2 4.36Å; Q637-L640 HydrophobicContact CG-CD1 4.5Å; Q637-L640 WeakPolarHBondContact O-CB 3.32Å; Q637-L640 PolarHBondContact O-N 2.83Å; E638-L640 PolarHBondContact O-N 2.87Å; E638-L640 VanDerWaalsContact O-N 3.15Å
641	H	83.9	Confident	70.8	Confident	130 Å²	130	67 Å²	67	60%	0.602	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-88.2	-12.9	177.3	-58.2	-63.3	0	0	0	113.2	E638 D639 G643 T644	E638-H641 WeakPolarHBondContact O-CB 3.46Å; E638-H641 PolarHBondContact O-N 2.93Å; D639-H641 PolarHBondContact O-N 2.9Å; H641-G643 PolarHBondContact O-N 3.02Å; H641-T644 PolarHBondContact O-N 3.12Å; H641-T644 VanDerWaalsContact O-N 3.12Å; H641-T644 PolarHBondContact O-OG1 2.65Å
642	A	67.5	Low	68.7	Low	51 Å²	51	72 Å²	72	42%	0.421	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-10.4	-178.1	0	0	0	0	0	113.9	F562 D639	F562-A642 HydrophobicContact CB-CB 4.4Å; F562-A642 HydrophobicContact CD1-CB 3.53Å; F562-A642 HydrophobicContact CE1-CB 3.79Å; F562-A642 HydrophobicContact CG-CB 3.93Å; F562-A642 HydrophobicContact CZ-CB 4.43Å; D639-A642 VanDerWaalsContact O-CB 3.28Å; D639-A642 WeakPolarHBondContact O-CB 3.18Å; D639-A642 PolarHBondContact O-N 3.41Å
643	G	56.9	Low	66.9	Low	22 Å²	22	75.8 Å²	75.8	23%	0.227	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-12.9	175.2	0	0	0	0	0	115.2	H641 I645	H641-G643 PolarHBondContact O-N 3.02Å; G643-I645 PolarHBondContact O-N 3.1Å
644	T	50.7	Low	65.3	Low	78 Å²	78	80.8 Å²	80.8	48%	0.479	44%	0.443	S	S	.	.	S	Bend	trans	-76.8	119.7	171.1	52.1	0	0	0	0	106.7	H641 T646	H641-T644 PolarHBondContact O-N 3.12Å; H641-T644 VanDerWaalsContact O-N 3.12Å; H641-T644 PolarHBondContact O-OG1 2.65Å; T644-T646 PolarHBondContact O-N 2.65Å
645	I	40.8	Very low	64	Low	141 Å²	141	85 Å²	85	72%	0.723	46%	0.464	S	S	*	.			trans	-54.4	97.8	151.5	-60.5	163.5	0	0	0	102.6	G643 P647	G643-I645 PolarHBondContact O-N 3.1Å; I645-P647 VanDerWaalsContact C-N 3.34Å; I645-P647 WeakPolarHBondContact O-CD 3.49Å
646	T	42.1	Very low	63	Low	103 Å²	103	88.2 Å²	88.2	63%	0.632	49%	0.485	S	S	*	.			trans	-52.9	115.7	154.5	35.1	0	0	0	0	102	T644 C648	T644-T646 PolarHBondContact O-N 2.65Å; T646-C648 PolarHBondContact O-N 3.16Å
647	P	39.1	Very low	61.9	Low	105 Å²	105	88.9 Å²	88.9	68%	0.682	49%	0.494	S	S	*	.			trans	-53.7	107.9	167.5	22.4	-29.2	0	0	0	102.7	I645 C649	I645-P647 VanDerWaalsContact C-N 3.34Å; I645-P647 WeakPolarHBondContact O-CD 3.49Å; P647-C649 PolarHBondContact O-N 2.97Å
648	C	41.2	Very low	61.2	Low	85 Å²	85	87.4 Å²	87.4	57%	0.574	49%	0.49	S	S	*	.			trans	-50.4	137.1	-173.9	-171.4	0	0	0	0	104.5	T646 S650 W651	T646-C648 PolarHBondContact O-N 3.16Å; C648-S650 WeakPolarHBondContact O-CA 3.24Å; C648-S650 PolarHBondContact O-N 3.14Å; C648-S650 PolarHBondContact O-OG 2.74Å; C648-W651 PolarHBondContact O-N 2.99Å
649	C	43.8	Very low	60.5	Low	88 Å²	88	86.6 Å²	86.6	60%	0.595	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	-9.8	174.7	-85	0	0	0	0	112.9	P647 W651 L652 L653	P647-C649 PolarHBondContact O-N 2.97Å; C649-W651 VanDerWaalsContact C-N 3.27Å; C649-W651 PolarHBondContact O-N 3.5Å; C649-L652 PolarHBondContact O-N 2.91Å; C649-L653 HydrophobicContact CB-CD1 4.21Å; C649-L653 WeakPolarHBondContact O-CB 3.33Å; C649-L653 WeakPolarHBondContact O-CD1 3.37Å; C649-L653 VanDerWaalsContact O-CG 3.28Å; C649-L653 WeakPolarHBondContact O-CG 3.33Å; C649-L653 PolarHBondContact O-N 2.76Å
650	S	51.5	Low	59.8	Low	51 Å²	51	90.2 Å²	90.2	36%	0.357	51%	0.511	S	S	.	.	H	α-helix	trans	-49	-36.1	164	69.5	0	0	0	0	114.9	C648 L654	C648-S650 WeakPolarHBondContact O-CA 3.24Å; C648-S650 PolarHBondContact O-N 3.14Å; C648-S650 PolarHBondContact O-OG 2.74Å; S650-L654 WeakPolarHBondContact O-CA 3.49Å; S650-L654 WeakPolarHBondContact O-CB 3.27Å; S650-L654 PolarHBondContact O-N 3.11Å
651	W	49.7	Very low	59	Low	186 Å²	186	94.8 Å²	94.8	71%	0.705	54%	0.535	S	S	*	.	H	α-helix	trans	-76.2	-40.2	178.2	-86.2	53	0	0	0	112.7	C648 C649 L654 I655	C648-W651 PolarHBondContact O-N 2.99Å; C649-W651 VanDerWaalsContact C-N 3.27Å; C649-W651 PolarHBondContact O-N 3.5Å; W651-L654 PolarHBondContact O-N 3.25Å; W651-I655 WeakPolarHBondContact O-CB 3.49Å; W651-I655 WeakPolarHBondContact O-CD1 3.35Å; W651-I655 WeakPolarHBondContact O-CG1 3.49Å; W651-I655 PolarHBondContact O-N 3.25Å
652	L	52.9	Low	58.4	Low	122 Å²	122	93.5 Å²	93.5	64%	0.639	53%	0.532	S	S	*	.	H	α-helix	trans	-67.2	-39.7	172.3	-94.7	149.9	0	0	0	111.1	C649 I655 V656	C649-L652 PolarHBondContact O-N 2.91Å; L652-I655 PolarHBondContact O-N 3.37Å; L652-V656 VanDerWaalsContact O-CB 3.29Å; L652-V656 WeakPolarHBondContact O-CB 3.46Å; L652-V656 WeakPolarHBondContact O-CG2 3.47Å; L652-V656 PolarHBondContact O-N 3Å
653	L	57.5	Low	58.4	Low	117 Å²	117	97.2 Å²	97.2	61%	0.613	55%	0.545	S	S	*	.	H	α-helix	trans	-67.9	-35.2	173.1	-75.6	162.7	0	0	0	111.9	C649 A657	C649-L653 HydrophobicContact CB-CD1 4.21Å; C649-L653 WeakPolarHBondContact O-CB 3.33Å; C649-L653 WeakPolarHBondContact O-CD1 3.37Å; C649-L653 VanDerWaalsContact O-CG 3.28Å; C649-L653 WeakPolarHBondContact O-CG 3.33Å; C649-L653 PolarHBondContact O-N 2.76Å; L653-A657 WeakPolarHBondContact O-CB 3.31Å; L653-A657 PolarHBondContact O-N 3.24Å
654	L	61.8	Low	58.8	Low	105 Å²	105	99.9 Å²	99.9	55%	0.55	56%	0.564	S	S	.	*	H	α-helix	trans	-68.5	-43.5	173.7	-120.2	108.5	0	0	0	111	S650 W651 A657 L658	S650-L654 WeakPolarHBondContact O-CA 3.49Å; S650-L654 WeakPolarHBondContact O-CB 3.27Å; S650-L654 PolarHBondContact O-N 3.11Å; W651-L654 PolarHBondContact O-N 3.25Å; L654-A657 PolarHBondContact O-N 2.82Å; L654-L658 HydrophobicContact CD2-CD1 4.11Å; L654-L658 VanDerWaalsContact O-CB 3.31Å; L654-L658 WeakPolarHBondContact O-CB 3.26Å; L654-L658 PolarHBondContact O-N 3.12Å
655	I	68.3	Low	59.1	Low	89 Å²	89	104.9 Å²	104.9	46%	0.456	58%	0.582	S	S	.	*	H	α-helix	trans	-66.4	-42.6	178.6	-69.5	165.4	0	0	0	109.8	W651 L652 L658 L659	W651-I655 WeakPolarHBondContact O-CB 3.49Å; W651-I655 WeakPolarHBondContact O-CD1 3.35Å; W651-I655 WeakPolarHBondContact O-CG1 3.49Å; W651-I655 PolarHBondContact O-N 3.25Å; L652-I655 PolarHBondContact O-N 3.37Å; I655-L658 PolarHBondContact O-N 2.93Å; I655-L659 HydrophobicContact CG2-CD1 3.79Å; I655-L659 HydrophobicContact CG2-CG 4.4Å; I655-L659 WeakPolarHBondContact O-CB 3.45Å; I655-L659 VanDerWaalsContact O-CG 3.24Å; I655-L659 WeakPolarHBondContact O-CG 3.48Å; I655-L659 PolarHBondContact O-N 2.92Å
656	V	71.1	Confident	59.8	Low	81 Å²	81	104.7 Å²	104.7	49%	0.491	60%	0.602	S	S	.	*	H	α-helix	trans	-64.1	-41.7	174.2	172.6	0	0	0	0	110.6	L652 L659 T660	L652-V656 VanDerWaalsContact O-CB 3.29Å; L652-V656 WeakPolarHBondContact O-CB 3.46Å; L652-V656 WeakPolarHBondContact O-CG2 3.47Å; L652-V656 PolarHBondContact O-N 3Å; V656-L659 PolarHBondContact O-N 3Å; V656-T660 WeakPolarHBondContact O-CG2 3.22Å; V656-T660 PolarHBondContact O-N 2.95Å; V656-T660 PolarHBondContact O-OG1 2.94Å
657	A	69.8	Low	60.6	Low	42 Å²	42	104.8 Å²	104.8	35%	0.347	60%	0.601	S	S	.	*	H	α-helix	trans	-67.5	-35.9	176	0	0	0	0	0	113.2	L653 L654 T660 L661	L653-A657 WeakPolarHBondContact O-CB 3.31Å; L653-A657 PolarHBondContact O-N 3.24Å; L654-A657 PolarHBondContact O-N 2.82Å; A657-T660 WeakPolarHBondContact CA-OG1 3.37Å; A657-T660 PolarHBondContact O-OG1 2.79Å; A657-L661 WeakPolarHBondContact O-CB 3.31Å; A657-L661 WeakPolarHBondContact O-CD1 3.18Å; A657-L661 VanDerWaalsContact O-CG 3.31Å; A657-L661 WeakPolarHBondContact O-CG 3.2Å; A657-L661 PolarHBondContact O-N 2.99Å
658	L	72.2	Confident	61.8	Low	93 Å²	93	104.8 Å²	104.8	49%	0.487	60%	0.597	S	S	.	*	H	α-helix	trans	-70	-39.7	174.8	-110.8	130	0	0	0	111.2	L654 I655 L661 L662	L654-L658 HydrophobicContact CD2-CD1 4.11Å; L654-L658 VanDerWaalsContact O-CB 3.31Å; L654-L658 WeakPolarHBondContact O-CB 3.26Å; L654-L658 PolarHBondContact O-N 3.12Å; I655-L658 PolarHBondContact O-N 2.93Å; L658-L661 PolarHBondContact O-N 2.75Å; L658-L662 HydrophobicContact CD2-CD1 4.31Å; L658-L662 WeakPolarHBondContact O-CB 3.11Å; L658-L662 WeakPolarHBondContact O-CD1 3.43Å; L658-L662 WeakPolarHBondContact O-CG 3.49Å; L658-L662 PolarHBondContact O-N 3.19Å
659	L	74.8	Confident	62.9	Low	99 Å²	99	105.9 Å²	105.9	52%	0.518	60%	0.598	S	S	.	*	H	α-helix	trans	-67.8	-37	176	-74.6	167.2	0	0	0	111.7	I655 V656 N663	I655-L659 HydrophobicContact CG2-CD1 3.79Å; I655-L659 HydrophobicContact CG2-CG 4.4Å; I655-L659 WeakPolarHBondContact O-CB 3.45Å; I655-L659 VanDerWaalsContact O-CG 3.24Å; I655-L659 WeakPolarHBondContact O-CG 3.48Å; I655-L659 PolarHBondContact O-N 2.92Å; V656-L659 PolarHBondContact O-N 3Å; L659-N663 WeakPolarHBondContact O-CB 3.27Å; L659-N663 PolarHBondContact O-N 3Å
660	T	74.5	Confident	64.1	Low	85 Å²	85	106.9 Å²	106.9	52%	0.521	60%	0.598	S	S	.	*	H	α-helix	trans	-71.5	-34	174.2	55.8	0	0	0	0	112.5	V656 A657 A664	V656-T660 WeakPolarHBondContact O-CG2 3.22Å; V656-T660 PolarHBondContact O-N 2.95Å; V656-T660 PolarHBondContact O-OG1 2.94Å; A657-T660 WeakPolarHBondContact CA-OG1 3.37Å; A657-T660 PolarHBondContact O-OG1 2.79Å; T660-A664 WeakPolarHBondContact O-CB 3.44Å; T660-A664 PolarHBondContact O-N 2.77Å; T660-A664 VanDerWaalsContact O-N 3.15Å
661	L	69.4	Low	64.8	Low	117 Å²	117	110.4 Å²	110.4	61%	0.613	61%	0.613	S	S	*	*	H	α-helix	trans	-69.2	-39.9	173.5	-80.5	162.9	0	0	0	112.6	A657 L658 A664 Q665	A657-L661 WeakPolarHBondContact O-CB 3.31Å; A657-L661 WeakPolarHBondContact O-CD1 3.18Å; A657-L661 VanDerWaalsContact O-CG 3.31Å; A657-L661 WeakPolarHBondContact O-CG 3.2Å; A657-L661 PolarHBondContact O-N 2.99Å; L658-L661 PolarHBondContact O-N 2.75Å; L661-A664 PolarHBondContact O-N 3.49Å; L661-Q665 PolarHBondContact O-N 3.44Å
662	L	70.9	Confident	65.9	Low	103 Å²	103	105.4 Å²	105.4	54%	0.539	61%	0.607	S	S	.	*	H	α-helix	trans	-67	-38.4	176.2	-82.9	157.8	0	0	0	112	L658 A664 Q665	L658-L662 HydrophobicContact CD2-CD1 4.31Å; L658-L662 WeakPolarHBondContact O-CB 3.11Å; L658-L662 WeakPolarHBondContact O-CD1 3.43Å; L658-L662 WeakPolarHBondContact O-CG 3.49Å; L658-L662 PolarHBondContact O-N 3.19Å; L662-A664 VanDerWaalsContact C-N 3.27Å; L662-A664 PolarHBondContact O-N 2.68Å; L662-Q665 PolarHBondContact O-N 3.03Å
663	N	68.7	Low	66.8	Low	129 Å²	129	104.2 Å²	104.2	69%	0.69	61%	0.605	S	S	*	*	H	α-helix	trans	-74.5	-13.9	174.4	-82.3	-1.1	0	0	0	114	L659	L659-N663 WeakPolarHBondContact O-CB 3.27Å; L659-N663 PolarHBondContact O-N 3Å
664	A	64.5	Low	67.5	Low	78 Å²	78	103.2 Å²	103.2	65%	0.645	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-11	175.5	0	0	0	0	0	113.2	T660 L661 L662	T660-A664 WeakPolarHBondContact O-CB 3.44Å; T660-A664 PolarHBondContact O-N 2.77Å; T660-A664 VanDerWaalsContact O-N 3.15Å; L661-A664 PolarHBondContact O-N 3.49Å; L662-A664 VanDerWaalsContact C-N 3.27Å; L662-A664 PolarHBondContact O-N 2.68Å
665	Q	57.7	Low	68	Low	183 Å²	183	103.1 Å²	103.1	86%	0.855	61%	0.609	S	S	*	*			trans	-104.1	-5.7	176	-74	-164.8	-36.7	0	0	114.3	L661 L662	L661-Q665 PolarHBondContact O-N 3.44Å; L662-Q665 PolarHBondContact O-N 3.03Å
666	A	53.8	Low	67.9	Low	138 Å²	138	104.4 Å²	104.4	100%	1.141	62%	0.622	S	S	*	*			trans	-99.1	0	166.9	0	0	0	0	0	109.3

Retrieved 666 of 666 residues in 1148.5 ms (Link to these results)

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