A0A077YYY8_TRITR Loading...

Zinc metalloproteinase

AlphaFold DB , UniProt , Accession A0A077YYY8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 561 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	26.4	Very low	30.3	Very low	253 Å²	253	118.5 Å²	118.5	100%	1.246	60%	0.596	S	S	*	*				0	39.3	0	-64.7	-179.7	-169.8	0	0	112.9
2	A	28.4	Very low	30.6	Very low	60 Å²	60	116.5 Å²	116.5	50%	0.496	59%	0.587	S	S	.	*			trans	-139.1	5.8	179.1	0	0	0	0	0	115
3	N	28.5	Very low	31	Very low	152 Å²	152	110.6 Å²	110.6	81%	0.813	56%	0.558	S	S	*	*			trans	-119.1	45.3	-170.5	-76.2	0.1	0	0	0	114.3
4	H	29.7	Very low	31	Very low	150 Å²	150	107.1 Å²	107.1	69%	0.694	54%	0.541	S	S	*	.			trans	-133.9	44.8	168.9	-83.5	-80.5	0	0	0	111.6	W7	H4-W7 VanDerWaalsContact C-CD1 3.43Å; H4-W7 VanDerWaalsContact CA-NE1 3.34Å; H4-W7 AromaticContact CE1-CZ2 3.46Å; H4-W7 VanDerWaalsContact CE1-CZ2 3.46Å; H4-W7 WeakPolarHBondContact CE1-CZ2 3.25Å; H4-W7 AromaticContact CG-NE1 3.76Å; H4-W7 AromaticContact ND1-CE2 3.17Å; H4-W7 AromaticContact ND1-CZ2 3.07Å; H4-W7 WeakPolarHBondContact ND1-CZ2 3.24Å; H4-W7 AromaticContact ND1-NE1 3.19Å; H4-W7 PolarHBondContact ND1-NE1 3.26Å; H4-W7 VanDerWaalsContact ND1-NE1 3.19Å
5	R	33.8	Very low	31.2	Very low	195 Å²	195	107.1 Å²	107.1	74%	0.736	54%	0.543	S	S	*	.			trans	-93	129.3	-179.2	-66.6	176.2	175.3	178.8	-0.5	109.2
6	A	30.2	Very low	31.4	Very low	69 Å²	69	100.8 Å²	100.8	57%	0.57	51%	0.513	S	S	*	.			trans	90.7	31.8	172.7	0	0	0	0	0	120.4	R8 D10	A6-R8 PolarHBondContact O-N 2.7Å; A6-D10 VanDerWaalsContact O-CB 3.26Å; A6-D10 WeakPolarHBondContact O-CB 2.85Å; A6-D10 VanDerWaalsContact O-CG 3.28Å; A6-D10 PolarHBondContact O-N 2.82Å
7	W	29.7	Very low	31.6	Very low	100 Å²	100	95.8 Å²	95.8	38%	0.379	49%	0.488	S	S	.	.	H	α-helix	trans	-73.2	-2.6	-171.1	-77.2	74	0	0	0	119.1	H4 C11	H4-W7 VanDerWaalsContact C-CD1 3.43Å; H4-W7 VanDerWaalsContact CA-NE1 3.34Å; H4-W7 AromaticContact CE1-CZ2 3.46Å; H4-W7 VanDerWaalsContact CE1-CZ2 3.46Å; H4-W7 WeakPolarHBondContact CE1-CZ2 3.25Å; H4-W7 AromaticContact CG-NE1 3.76Å; H4-W7 AromaticContact ND1-CE2 3.17Å; H4-W7 AromaticContact ND1-CZ2 3.07Å; H4-W7 WeakPolarHBondContact ND1-CZ2 3.24Å; H4-W7 AromaticContact ND1-NE1 3.19Å; H4-W7 PolarHBondContact ND1-NE1 3.26Å; H4-W7 VanDerWaalsContact ND1-NE1 3.19Å; W7-C11 WeakPolarHBondContact O-CB 3.28Å; W7-C11 PolarHBondContact O-N 2.72Å; W7-C11 PolarHBondContact O-SG 2.72Å
8	R	34.6	Very low	31.9	Very low	118 Å²	118	94.9 Å²	94.9	45%	0.445	49%	0.485	S	S	.	.	H	α-helix	trans	-100.6	-30.1	-173.9	-142.9	174.1	-173.8	-165.8	-2.4	116.1	A6 M334 E368	A6-R8 PolarHBondContact O-N 2.7Å; R8-M334 PolarHBondContact NH1-SD 2.99Å; R8-M334 PolarHBondContact NH2-SD 3.34Å; R8-M334 VanDerWaalsContact NH2-SD 3.43Å; R8-E368 IonicContact NH1-OE2 2.88Å; R8-E368 PolarHBondContact NH1-OE2 3.49Å
9	L	34.9	Very low	32.2	Very low	87 Å²	87	96.5 Å²	96.5	46%	0.455	49%	0.49	S	S	.	.	H	α-helix	trans	-79.2	-33.9	156.7	-96.7	97.9	0	0	0	110	I12 I13 L188	L9-I12 PolarHBondContact O-N 3.21Å; L9-I13 WeakPolarHBondContact O-CG1 3.12Å; L9-I13 PolarHBondContact O-N 2.99Å; L9-I13 VanDerWaalsContact O-N 3.16Å; L9-L188 HydrophobicContact CD2-CD2 4.03Å
10	D	28.6	Very low	32.5	Very low	60 Å²	60	95.3 Å²	95.3	32%	0.321	48%	0.484	S	S	.	.	H	α-helix	trans	-72.4	-30.9	-178.8	-68.3	-19.8	0	0	0	114.1	A6 I12 I13 D14	A6-D10 VanDerWaalsContact O-CB 3.26Å; A6-D10 WeakPolarHBondContact O-CB 2.85Å; A6-D10 VanDerWaalsContact O-CG 3.28Å; A6-D10 PolarHBondContact O-N 2.82Å; D10-I12 PolarHBondContact O-N 3.43Å; D10-I13 CarbonylContact O-C 3.58Å; D10-I13 WeakPolarHBondContact O-CA 3.49Å; D10-I13 PolarHBondContact O-N 2.93Å; D10-I13 WeakPolarHBondContact OD1-CD1 3.38Å; D10-D14 WeakPolarHBondContact O-CB 3.35Å; D10-D14 PolarHBondContact O-N 3.49Å
11	C	28.6	Very low	32.8	Very low	60 Å²	60	95.9 Å²	95.9	41%	0.405	48%	0.483	S	S	.	.	H	α-helix	trans	-62.7	-27.2	173.5	-92.7	0	0	0	0	113.4	W7 N15	W7-C11 WeakPolarHBondContact O-CB 3.28Å; W7-C11 PolarHBondContact O-N 2.72Å; W7-C11 PolarHBondContact O-SG 2.72Å; C11-N15 WeakPolarHBondContact O-CB 3.45Å; C11-N15 PolarHBondContact O-N 3.22Å; C11-N15 PolarHBondContact O-ND2 3.05Å
12	I	34.2	Very low	33.3	Very low	94 Å²	94	90.9 Å²	90.9	48%	0.482	46%	0.457	S	S	.	.	H	α-helix	trans	-78.8	-36.2	172.9	-62.7	176	0	0	0	109.7	L9 D10 A16 N138	L9-I12 PolarHBondContact O-N 3.21Å; D10-I12 PolarHBondContact O-N 3.43Å; I12-A16 VanDerWaalsContact O-CB 3.27Å; I12-A16 WeakPolarHBondContact O-CB 3.34Å; I12-A16 PolarHBondContact O-N 2.85Å; I12-N138 VanDerWaalsContact CG2-ND2 3.31Å; I12-N138 WeakPolarHBondContact CG2-ND2 3.3Å
13	I	36	Very low	33.8	Very low	40 Å²	40	93.9 Å²	93.9	21%	0.205	46%	0.461	C	S	.	.	H	α-helix	trans	-70.6	-41	176.8	-65.3	163.4	0	0	0	111.5	L9 D10 A16 V17 L131	L9-I13 WeakPolarHBondContact O-CG1 3.12Å; L9-I13 PolarHBondContact O-N 2.99Å; L9-I13 VanDerWaalsContact O-N 3.16Å; D10-I13 CarbonylContact O-C 3.58Å; D10-I13 WeakPolarHBondContact O-CA 3.49Å; D10-I13 PolarHBondContact O-N 2.93Å; D10-I13 WeakPolarHBondContact OD1-CD1 3.38Å; I13-A16 CarbonylContact O-C 3.45Å; I13-A16 PolarHBondContact O-N 2.82Å; I13-V17 HydrophobicContact CG2-CG2 3.93Å; I13-V17 WeakPolarHBondContact O-CA 3.46Å; I13-V17 WeakPolarHBondContact O-CB 3.47Å; I13-V17 WeakPolarHBondContact O-CG2 3.29Å; I13-V17 PolarHBondContact O-N 2.66Å; I13-L131 HydrophobicContact CG2-CD2 3.86Å
14	D	31.1	Very low	34.3	Very low	62 Å²	62	92.8 Å²	92.8	33%	0.332	45%	0.451	S	S	.	.	H	α-helix	trans	-71.7	-37.8	179.5	-84.6	-18.1	0	0	0	111.4	D10 V17 N18	D10-D14 WeakPolarHBondContact O-CB 3.35Å; D10-D14 PolarHBondContact O-N 3.49Å; D14-V17 PolarHBondContact O-N 3.23Å; D14-N18 WeakPolarHBondContact O-CB 3.48Å; D14-N18 PolarHBondContact O-N 2.96Å; D14-N18 PolarHBondContact O-ND2 2.85Å
15	N	33.7	Very low	34.9	Very low	107 Å²	107	93.7 Å²	93.7	57%	0.572	45%	0.453	S	S	*	.	H	α-helix	trans	-64.9	-42.5	170.2	-79	-17.7	0	0	0	110.9	C11 N18 E19	C11-N15 WeakPolarHBondContact O-CB 3.45Å; C11-N15 PolarHBondContact O-N 3.22Å; C11-N15 PolarHBondContact O-ND2 3.05Å; N15-N18 PolarHBondContact O-N 3.44Å; N15-E19 WeakPolarHBondContact O-CB 3.37Å; N15-E19 WeakPolarHBondContact O-CG 3.28Å; N15-E19 PolarHBondContact O-N 2.87Å
16	A	34.7	Very low	35	Very low	6 Å²	6	90.9 Å²	90.9	5%	0.05	45%	0.446	C	S	.	.	H	α-helix	trans	-66.1	-39	175.3	0	0	0	0	0	112.7	I12 I13 L20 K134	I12-A16 VanDerWaalsContact O-CB 3.27Å; I12-A16 WeakPolarHBondContact O-CB 3.34Å; I12-A16 PolarHBondContact O-N 2.85Å; I13-A16 CarbonylContact O-C 3.45Å; I13-A16 PolarHBondContact O-N 2.82Å; A16-L20 WeakPolarHBondContact O-CB 3.41Å; A16-L20 WeakPolarHBondContact O-CD1 3.44Å; A16-L20 WeakPolarHBondContact O-CG 3.44Å; A16-L20 PolarHBondContact O-N 2.77Å; A16-K134 HydrophobicContact CB-CG 4.06Å
17	V	34.4	Very low	35.3	Very low	15 Å²	15	90.8 Å²	90.8	9%	0.091	44%	0.438	C	S	.	.	H	α-helix	trans	-72.7	-33.5	178	167.3	0	0	0	0	110.8	I13 D14 K21	I13-V17 HydrophobicContact CG2-CG2 3.93Å; I13-V17 WeakPolarHBondContact O-CA 3.46Å; I13-V17 WeakPolarHBondContact O-CB 3.47Å; I13-V17 WeakPolarHBondContact O-CG2 3.29Å; I13-V17 PolarHBondContact O-N 2.66Å; D14-V17 PolarHBondContact O-N 3.23Å; V17-K21 HydrophobicContact CG1-CD 4.26Å; V17-K21 HydrophobicContact CG1-CG 4.49Å; V17-K21 WeakPolarHBondContact O-CB 3.38Å; V17-K21 VanDerWaalsContact O-CG 3.24Å; V17-K21 WeakPolarHBondContact O-CG 3.22Å; V17-K21 PolarHBondContact O-N 3.16Å
18	N	36.3	Very low	35.8	Very low	81 Å²	81	89.6 Å²	89.6	43%	0.433	45%	0.45	S	S	.	.	H	α-helix	trans	-73.6	-38.6	174.6	-73.3	-30.5	0	0	0	111.9	D14 N15 K21 Q22	D14-N18 WeakPolarHBondContact O-CB 3.48Å; D14-N18 PolarHBondContact O-N 2.96Å; D14-N18 PolarHBondContact O-ND2 2.85Å; N15-N18 PolarHBondContact O-N 3.44Å; N18-K21 PolarHBondContact O-N 3.08Å; N18-Q22 PolarHBondContact O-N 3Å; N18-Q22 VanDerWaalsContact O-N 3.11Å
19	E	38.5	Very low	36.1	Very low	124 Å²	124	92 Å²	92	58%	0.579	47%	0.466	S	S	*	.	H	α-helix	trans	-60.8	-45	169.3	-77.4	178.5	178.3	0	0	110.7	N15 K21 Q22 E23	N15-E19 WeakPolarHBondContact O-CB 3.37Å; N15-E19 WeakPolarHBondContact O-CG 3.28Å; N15-E19 PolarHBondContact O-N 2.87Å; E19-K21 PolarHBondContact O-N 2.87Å; E19-Q22 PolarHBondContact O-N 2.84Å; E19-E23 PolarHBondContact O-N 3.44Å
20	L	38	Very low	36.2	Very low	73 Å²	73	93.4 Å²	93.4	38%	0.382	47%	0.473	S	S	.	.	H	α-helix	trans	-66.9	-35.8	177.1	-72	168.6	0	0	0	113	A16 Q22 E23 E24	A16-L20 WeakPolarHBondContact O-CB 3.41Å; A16-L20 WeakPolarHBondContact O-CD1 3.44Å; A16-L20 WeakPolarHBondContact O-CG 3.44Å; A16-L20 PolarHBondContact O-N 2.77Å; L20-Q22 VanDerWaalsContact C-N 3.28Å; L20-Q22 PolarHBondContact O-N 2.99Å; L20-E23 CarbonylContact O-C 3.59Å; L20-E23 PolarHBondContact O-N 3.17Å; L20-E24 WeakPolarHBondContact O-CB 3.22Å; L20-E24 WeakPolarHBondContact O-CG 3.19Å; L20-E24 PolarHBondContact O-N 3.39Å
21	K	38.4	Very low	36.5	Very low	107 Å²	107	96.6 Å²	96.6	47%	0.465	48%	0.484	S	S	.	.	H	α-helix	trans	-65.6	-30.7	173	-80.6	173.9	-179.2	175.1	0	112.6	V17 N18 E19 K25	V17-K21 HydrophobicContact CG1-CD 4.26Å; V17-K21 HydrophobicContact CG1-CG 4.49Å; V17-K21 WeakPolarHBondContact O-CB 3.38Å; V17-K21 VanDerWaalsContact O-CG 3.24Å; V17-K21 WeakPolarHBondContact O-CG 3.22Å; V17-K21 PolarHBondContact O-N 3.16Å; N18-K21 PolarHBondContact O-N 3.08Å; E19-K21 PolarHBondContact O-N 2.87Å; K21-K25 PolarHBondContact O-N 2.91Å; K21-K25 VanDerWaalsContact O-N 3.13Å
22	Q	38.1	Very low	36.9	Very low	149 Å²	149	97.1 Å²	97.1	70%	0.696	50%	0.499	S	S	*	.	H	α-helix	trans	-72.4	-40.3	172.7	-76	-170.2	-14.7	0	0	111.2	N18 E19 L20 K25 F26	N18-Q22 PolarHBondContact O-N 3Å; N18-Q22 VanDerWaalsContact O-N 3.11Å; E19-Q22 PolarHBondContact O-N 2.84Å; L20-Q22 VanDerWaalsContact C-N 3.28Å; L20-Q22 PolarHBondContact O-N 2.99Å; Q22-K25 PolarHBondContact O-N 3.3Å; Q22-F26 PolarHBondContact O-N 2.85Å
23	E	38.2	Very low	37	Very low	123 Å²	123	101.7 Å²	101.7	58%	0.575	52%	0.519	S	S	*	.	H	α-helix	trans	-63.8	-39.1	171	-79.1	-174.1	157.1	0	0	112.1	E19 L20 F26 V27	E19-E23 PolarHBondContact O-N 3.44Å; L20-E23 CarbonylContact O-C 3.59Å; L20-E23 PolarHBondContact O-N 3.17Å; E23-F26 CarbonylContact O-C 3.43Å; E23-F26 WeakPolarHBondContact O-CA 3.2Å; E23-F26 WeakPolarHBondContact O-CB 3.37Å; E23-F26 PolarHBondContact O-N 2.84Å; E23-F26 VanDerWaalsContact O-N 3.13Å; E23-V27 WeakPolarHBondContact O-CB 3.2Å; E23-V27 VanDerWaalsContact O-CG2 3.23Å; E23-V27 WeakPolarHBondContact O-CG2 3.28Å; E23-V27 PolarHBondContact O-N 2.76Å
24	E	39.9	Very low	37.1	Very low	128 Å²	128	107.7 Å²	107.7	60%	0.598	55%	0.546	S	S	*	.	H	α-helix	trans	-64.5	-40.5	176.2	-81.2	179.9	163.9	0	0	112.4	L20 F26 V27 A28	L20-E24 WeakPolarHBondContact O-CB 3.22Å; L20-E24 WeakPolarHBondContact O-CG 3.19Å; L20-E24 PolarHBondContact O-N 3.39Å; E24-F26 PolarHBondContact O-N 2.87Å; E24-V27 PolarHBondContact O-N 2.01Å; E24-A28 WeakPolarHBondContact O-CA 3.22Å; E24-A28 WeakPolarHBondContact O-CB 3.15Å; E24-A28 PolarHBondContact O-N 3.06Å
25	K	40.4	Very low	37.4	Very low	169 Å²	169	113.8 Å²	113.8	74%	0.735	56%	0.564	S	S	*	*	H	α-helix	trans	-61.4	-35.1	173	-79.4	-173.7	178.4	-176.3	0	111.6	K21 Q22	K21-K25 PolarHBondContact O-N 2.91Å; K21-K25 VanDerWaalsContact O-N 3.13Å; Q22-K25 PolarHBondContact O-N 3.3Å
26	F	36	Very low	37.6	Very low	137 Å²	137	116.1 Å²	116.1	60%	0.601	58%	0.576	S	S	*	*	H	α-helix	trans	-75.7	-39.9	177.7	-171.8	-107.1	0	0	0	112.6	Q22 E23 E24 I30	Q22-F26 PolarHBondContact O-N 2.85Å; E23-F26 CarbonylContact O-C 3.43Å; E23-F26 WeakPolarHBondContact O-CA 3.2Å; E23-F26 WeakPolarHBondContact O-CB 3.37Å; E23-F26 PolarHBondContact O-N 2.84Å; E23-F26 VanDerWaalsContact O-N 3.13Å; E24-F26 PolarHBondContact O-N 2.87Å; F26-I30 HydrophobicContact CD1-CD1 4.37Å; F26-I30 HydrophobicContact CE1-CD1 3.97Å; F26-I30 HydrophobicContact CZ-CD1 4.15Å; F26-I30 WeakPolarHBondContact O-CG1 3.03Å
27	V	36.9	Very low	37.7	Very low	66 Å²	66	124.8 Å²	124.8	40%	0.4	61%	0.613	S	S	.	*	H	α-helix	trans	-80.4	-36.2	-177.9	173.9	0	0	0	0	112.2	E23 E24 Q29 I30 K31	E23-V27 WeakPolarHBondContact O-CB 3.2Å; E23-V27 VanDerWaalsContact O-CG2 3.23Å; E23-V27 WeakPolarHBondContact O-CG2 3.28Å; E23-V27 PolarHBondContact O-N 2.76Å; E24-V27 PolarHBondContact O-N 2.01Å; V27-Q29 PolarHBondContact O-N 3.12Å; V27-I30 PolarHBondContact O-N 3.49Å; V27-K31 HydrophobicContact CG1-CD 3.94Å; V27-K31 HydrophobicContact CG1-CG 4.33Å; V27-K31 PolarHBondContact O-N 2.93Å
28	A	40.6	Very low	38	Very low	76 Å²	76	128.5 Å²	128.5	63%	0.628	63%	0.632	S	S	*	*	H	α-helix	trans	-65.2	-27.7	173.6	0	0	0	0	0	111.9	E24 I30	E24-A28 WeakPolarHBondContact O-CA 3.22Å; E24-A28 WeakPolarHBondContact O-CB 3.15Å; E24-A28 PolarHBondContact O-N 3.06Å; A28-I30 VanDerWaalsContact C-N 3.29Å
29	Q	39.9	Very low	38.1	Very low	169 Å²	169	130.5 Å²	130.5	79%	0.79	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	-25.2	171.4	-118.8	179.7	-28	0	0	113.1	V27	V27-Q29 PolarHBondContact O-N 3.12Å
30	I	37.3	Very low	38.2	Very low	115 Å²	115	129 Å²	129	59%	0.59	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.8	-26.7	-174.5	-65	175.1	0	0	0	112.5	F26 V27 A28	F26-I30 HydrophobicContact CD1-CD1 4.37Å; F26-I30 HydrophobicContact CE1-CD1 3.97Å; F26-I30 HydrophobicContact CZ-CD1 4.15Å; F26-I30 WeakPolarHBondContact O-CG1 3.03Å; V27-I30 PolarHBondContact O-N 3.49Å; A28-I30 VanDerWaalsContact C-N 3.29Å
31	K	36.4	Very low	38.4	Very low	127 Å²	127	131.5 Å²	131.5	55%	0.552	65%	0.646	S	S	*	*			trans	-112.4	22.4	-165.3	-65.9	-167.8	176.3	-176	0	116.6	V27 E33	V27-K31 HydrophobicContact CG1-CD 3.94Å; V27-K31 HydrophobicContact CG1-CG 4.33Å; V27-K31 PolarHBondContact O-N 2.93Å; K31-E33 PolarHBondContact O-N 3.38Å
32	G	35.1	Very low	38.6	Very low	71 Å²	71	130.2 Å²	130.2	73%	0.732	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-19.7	179.1	0	0	0	0	0	115.9
33	E	37.3	Very low	38.5	Very low	190 Å²	190	127.8 Å²	127.8	89%	0.888	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	-16	-166.8	-69.8	-177.8	159.4	0	0	116.3	K31	K31-E33 PolarHBondContact O-N 3.38Å
34	E	39	Very low	38.7	Very low	167 Å²	167	127 Å²	127	78%	0.78	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-11.9	-175.4	-75.6	-173	148.4	0	0	115.3	L36	E34-L36 PolarHBondContact O-N 3.26Å
35	R	36.4	Very low	38.9	Very low	189 Å²	189	124.9 Å²	124.9	71%	0.713	63%	0.627	S	S	*	*	H	α-helix	trans	-75.5	-15.9	-167.8	-143.9	176.4	-174.4	-178.6	0.5	115.4
36	L	37.4	Very low	38.8	Very low	157 Å²	157	119 Å²	119	82%	0.822	61%	0.607	S	S	*	*	H	α-helix	trans	-80.2	-22.9	-176.1	-115.4	93.8	0	0	0	114.5	E34	E34-L36 PolarHBondContact O-N 3.26Å
37	K	38.2	Very low	38.9	Very low	188 Å²	188	117.5 Å²	117.5	82%	0.817	60%	0.602	S	S	*	*	H	α-helix	trans	-86.7	-29.7	-173.9	-70	-177.5	-180	175.1	0	113.6
38	D	40.7	Very low	38.9	Very low	92 Å²	92	120.5 Å²	120.5	49%	0.492	61%	0.612	S	S	.	*	H	α-helix	trans	-83.5	-30	-173.4	-142.9	11.8	0	0	0	112.7	T40 K41 V42	D38-T40 VanDerWaalsContact C-N 3.27Å; D38-T40 PolarHBondContact O-N 2.84Å; D38-K41 PolarHBondContact O-N 2.86Å; D38-V42 PolarHBondContact O-N 3.4Å
39	H	36.9	Very low	38.7	Very low	124 Å²	124	124.9 Å²	124.9	57%	0.574	61%	0.613	S	S	*	*	H	α-helix	trans	-60.9	-34.3	-178.9	-124.9	-65.6	0	0	0	113.1	L43	H39-L43 WeakPolarHBondContact O-CB 3.45Å; H39-L43 PolarHBondContact O-N 2.64Å
40	T	40.2	Very low	38.5	Very low	92 Å²	92	121.8 Å²	121.8	56%	0.564	60%	0.602	S	S	*	*	H	α-helix	trans	-72	-34.5	-179.6	-44.7	0	0	0	0	112	D38 L44	D38-T40 VanDerWaalsContact C-N 3.27Å; D38-T40 PolarHBondContact O-N 2.84Å; T40-L44 WeakPolarHBondContact O-CD1 3.44Å; T40-L44 WeakPolarHBondContact O-CG 3.19Å; T40-L44 PolarHBondContact O-N 3.43Å
41	K	42.6	Very low	38.5	Very low	126 Å²	126	124.5 Å²	124.5	55%	0.548	61%	0.609	S	S	.	*	H	α-helix	trans	-73.7	-43.3	-179.4	-169	-179.5	175.7	-171.3	0	111.6	D38 L43 L44 E45	D38-K41 PolarHBondContact O-N 2.86Å; K41-L43 VanDerWaalsContact C-N 3.31Å; K41-L43 PolarHBondContact O-N 2.74Å; K41-L44 PolarHBondContact O-N 3.35Å; K41-E45 WeakPolarHBondContact CE-OE1 3.19Å; K41-E45 PolarHBondContact O-N 3.46Å
42	V	42.7	Very low	38.3	Very low	79 Å²	79	126.1 Å²	126.1	48%	0.479	62%	0.619	S	S	.	*	H	α-helix	trans	-65	-34.8	176.8	179.1	0	0	0	0	111.8	D38 L44 S46	D38-V42 PolarHBondContact O-N 3.4Å; V42-L44 VanDerWaalsContact C-N 3.35Å; V42-L44 PolarHBondContact O-N 3.08Å; V42-S46 WeakPolarHBondContact O-CB 3.35Å; V42-S46 PolarHBondContact O-N 2.73Å; V42-S46 VanDerWaalsContact O-N 3.09Å; V42-S46 PolarHBondContact O-OG 3.13Å
43	L	36.8	Very low	37.9	Very low	98 Å²	98	129.4 Å²	129.4	51%	0.513	61%	0.612	S	S	.	*	H	α-helix	trans	-66.2	-35.7	176.8	-149.2	91.4	0	0	0	112.6	H39 K41 S46 Q47	H39-L43 WeakPolarHBondContact O-CB 3.45Å; H39-L43 PolarHBondContact O-N 2.64Å; K41-L43 VanDerWaalsContact C-N 3.31Å; K41-L43 PolarHBondContact O-N 2.74Å; L43-S46 WeakPolarHBondContact CA-OG 3.12Å; L43-S46 PolarHBondContact O-OG 3.49Å; L43-Q47 VanDerWaalsContact O-CG 3.31Å; L43-Q47 WeakPolarHBondContact O-CG 3.34Å; L43-Q47 PolarHBondContact O-N 2.93Å
44	L	42.8	Very low	37.4	Very low	108 Å²	108	125.9 Å²	125.9	57%	0.565	61%	0.606	S	S	*	*	H	α-helix	trans	-72.8	-39.9	179.4	-74	163.6	0	0	0	111.9	T40 K41 V42 Q47 E48	T40-L44 WeakPolarHBondContact O-CD1 3.44Å; T40-L44 WeakPolarHBondContact O-CG 3.19Å; T40-L44 PolarHBondContact O-N 3.43Å; K41-L44 PolarHBondContact O-N 3.35Å; V42-L44 VanDerWaalsContact C-N 3.35Å; V42-L44 PolarHBondContact O-N 3.08Å; L44-Q47 PolarHBondContact O-N 2.76Å; L44-E48 PolarHBondContact O-N 2.95Å
45	E	43.3	Very low	36.9	Very low	82 Å²	82	122.5 Å²	122.5	38%	0.383	61%	0.607	S	S	.	*	H	α-helix	trans	-71.5	-35.7	179.2	-68.2	176.1	-174.6	0	0	112	K41 Q47 E48 Y49 M150	K41-E45 WeakPolarHBondContact CE-OE1 3.19Å; K41-E45 PolarHBondContact O-N 3.46Å; E45-Q47 PolarHBondContact O-N 2.92Å; E45-E48 PolarHBondContact O-N 2.81Å; E45-Y49 PolarHBondContact O-N 3.3Å; E45-M150 VanDerWaalsContact OE2-CE 3.29Å; E45-M150 WeakPolarHBondContact OE2-CE 3.48Å
46	S	38.7	Very low	36.6	Very low	46 Å²	46	122.3 Å²	122.3	32%	0.322	61%	0.611	S	S	.	*	H	α-helix	trans	-67.8	-31.8	173.9	53.9	0	0	0	0	113.2	V42 L43 E48 Y49 L50	V42-S46 WeakPolarHBondContact O-CB 3.35Å; V42-S46 PolarHBondContact O-N 2.73Å; V42-S46 VanDerWaalsContact O-N 3.09Å; V42-S46 PolarHBondContact O-OG 3.13Å; L43-S46 WeakPolarHBondContact CA-OG 3.12Å; L43-S46 PolarHBondContact O-OG 3.49Å; S46-E48 VanDerWaalsContact C-N 3.32Å; S46-E48 PolarHBondContact O-N 3.28Å; S46-Y49 PolarHBondContact O-N 3.41Å; S46-L50 WeakPolarHBondContact O-CG 3.01Å; S46-L50 PolarHBondContact O-N 3.22Å; S46-L50 VanDerWaalsContact O-N 3.16Å
47	Q	37	Very low	36	Very low	106 Å²	106	123.9 Å²	123.9	50%	0.495	61%	0.614	S	S	.	*	H	α-helix	trans	-67.2	-30.6	173	-77.4	179.3	-10.5	0	0	113.1	L43 L44 E45	L43-Q47 VanDerWaalsContact O-CG 3.31Å; L43-Q47 WeakPolarHBondContact O-CG 3.34Å; L43-Q47 PolarHBondContact O-N 2.93Å; L44-Q47 PolarHBondContact O-N 2.76Å; E45-Q47 PolarHBondContact O-N 2.92Å
48	E	38.4	Very low	35.3	Very low	129 Å²	129	124.4 Å²	124.4	60%	0.603	62%	0.616	S	S	*	*	H	α-helix	trans	-74.2	-35.4	177.6	-166	156.7	-156.5	0	0	112.1	L44 E45 S46 K51 H52	L44-E48 PolarHBondContact O-N 2.95Å; E45-E48 PolarHBondContact O-N 2.81Å; S46-E48 VanDerWaalsContact C-N 3.32Å; S46-E48 PolarHBondContact O-N 3.28Å; E48-K51 PolarHBondContact O-N 2.86Å; E48-H52 PolarHBondContact O-ND1 2.9Å
49	Y	36.4	Very low	34.6	Very low	167 Å²	167	126.1 Å²	126.1	66%	0.655	63%	0.633	S	S	*	*	H	α-helix	trans	-65	-40.6	171.7	-174.9	-103	0	0	0	112.4	E45 S46 K51 H52	E45-Y49 PolarHBondContact O-N 3.3Å; S46-Y49 PolarHBondContact O-N 3.41Å; Y49-K51 PolarHBondContact O-N 2.78Å; Y49-K51 VanDerWaalsContact O-N 3.17Å; Y49-H52 PolarHBondContact O-N 3.07Å; Y49-H52 VanDerWaalsContact O-N 3.16Å
50	L	34.7	Very low	34	Very low	105 Å²	105	123 Å²	123	55%	0.55	63%	0.634	S	S	.	*	H	α-helix	trans	-63.3	-21.4	179.2	-73.4	169.8	0	0	0	114	S46 H52 K53	S46-L50 WeakPolarHBondContact O-CG 3.01Å; S46-L50 PolarHBondContact O-N 3.22Å; S46-L50 VanDerWaalsContact O-N 3.16Å; L50-H52 VanDerWaalsContact C-N 3.27Å; L50-H52 PolarHBondContact O-N 2.85Å; L50-K53 WeakPolarHBondContact O-CB 3.04Å
51	K	36.6	Very low	33.1	Very low	172 Å²	172	128.5 Å²	128.5	75%	0.748	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	-20.4	176.7	-71.6	177.2	-177.3	173.5	0	113.7	E48 Y49	E48-K51 PolarHBondContact O-N 2.86Å; Y49-K51 PolarHBondContact O-N 2.78Å; Y49-K51 VanDerWaalsContact O-N 3.17Å
52	H	32.2	Very low	32.2	Very low	161 Å²	161	131.1 Å²	131.1	75%	0.745	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.9	16.5	-177.8	-68.5	78.6	0	0	0	113.3	E48 Y49 L50 P54	E48-H52 PolarHBondContact O-ND1 2.9Å; Y49-H52 PolarHBondContact O-N 3.07Å; Y49-H52 VanDerWaalsContact O-N 3.16Å; L50-H52 VanDerWaalsContact C-N 3.27Å; L50-H52 PolarHBondContact O-N 2.85Å; H52-P54 VanDerWaalsContact O-CD 3.31Å; H52-P54 WeakPolarHBondContact O-CD 3.27Å
53	K	28.2	Very low	31.4	Very low	139 Å²	139	135.5 Å²	135.5	60%	0.604	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-75.6	118.7	-177.6	-162.2	171	-170	160.6	0	111.6	L50	L50-K53 WeakPolarHBondContact O-CB 3.04Å
54	P	26.1	Very low	30.8	Very low	116 Å²	116	138.7 Å²	138.7	75%	0.753	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-66.2	141.7	169	24	-29.4	0	0	0	111.1	H52	H52-P54 VanDerWaalsContact O-CD 3.31Å; H52-P54 WeakPolarHBondContact O-CD 3.27Å
55	A	28.3	Very low	30.2	Very low	96 Å²	96	137.6 Å²	137.6	79%	0.793	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-62.1	136.3	-173.2	0	0	0	0	0	112.8	Q57	A55-Q57 PolarHBondContact O-N 3.02Å
56	K	30.2	Very low	30	Very low	185 Å²	185	135.8 Å²	135.8	80%	0.804	70%	0.696	S	S	*	*			trans	-59.7	112.8	175.6	-69.9	-177.6	175.2	-175.6	0	110.5
57	Q	24.1	Very low	30	Very low	191 Å²	191	136.2 Å²	136.2	89%	0.893	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-65.8	135.7	162.1	-77.9	-177.7	-7.2	0	0	109.3	A55	A55-Q57 PolarHBondContact O-N 3.02Å
58	K	23.6	Very low	30.5	Very low	198 Å²	198	132.9 Å²	132.9	86%	0.861	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-62.4	139.5	179.1	-73.5	178.4	176.2	177.5	0	110	G60	K58-G60 PolarHBondContact O-N 3.47Å
59	P	26.8	Very low	30.7	Very low	129 Å²	129	128.3 Å²	128.3	84%	0.838	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-69.7	117.4	-179.1	-5.5	21	0	0	0	109.3
60	G	24.3	Very low	31.5	Very low	57 Å²	57	128.6 Å²	128.6	59%	0.588	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-62.2	141.9	159.9	0	0	0	0	0	109	K58 F62	K58-G60 PolarHBondContact O-N 3.47Å; G60-F62 VanDerWaalsContact C-N 3.32Å; G60-F62 PolarHBondContact O-N 3.11Å
61	H	20.9	Very low	32.6	Very low	208 Å²	208	125.8 Å²	125.8	96%	0.963	66%	0.66	S	S	*	*			trans	-55.2	92.9	170.9	-98.1	-18	0	0	0	110.2
62	F	25	Very low	34	Very low	181 Å²	181	118.3 Å²	118.3	79%	0.794	63%	0.628	S	S	*	*			trans	-100.9	119.5	159.3	-92.7	-91.8	0	0	0	107.1	G60 D64	G60-F62 VanDerWaalsContact C-N 3.32Å; G60-F62 PolarHBondContact O-N 3.11Å; F62-D64 PolarHBondContact O-N 3Å
63	L	24.1	Very low	35.8	Very low	172 Å²	172	111.6 Å²	111.6	90%	0.901	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.1	127.1	173.5	-63.1	164.1	0	0	0	109.4	S65	L63-S65 VanDerWaalsContact C-N 3.3Å; L63-S65 PolarHBondContact O-N 2.79Å
64	D	24.6	Very low	37.6	Very low	164 Å²	164	107.7 Å²	107.7	88%	0.877	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	1.4	76.1	176	-85.2	-30.9	0	0	0	114	F62 D66	F62-D64 PolarHBondContact O-N 3Å; D64-D66 PolarHBondContact O-N 2.91Å
65	S	30.3	Very low	39	Very low	85 Å²	85	105.5 Å²	105.5	59%	0.594	57%	0.567	S	S	*	*			trans	-72.8	118.5	178.6	50.8	0	0	0	0	107.9	L63 P67	L63-S65 VanDerWaalsContact C-N 3.3Å; L63-S65 PolarHBondContact O-N 2.79Å; S65-P67 VanDerWaalsContact O-N 3.11Å
66	D	39.5	Very low	40.3	Very low	45 Å²	45	102.5 Å²	102.5	24%	0.241	54%	0.539	C	S	.	.			trans	-40.7	119.1	161.9	-167.8	-5.8	0	0	0	108	D64 D68 G69 R253	D64-D66 PolarHBondContact O-N 2.91Å; D66-D68 PolarHBondContact O-N 3.44Å; D66-G69 PolarHBondContact O-N 2.93Å; D66-R253 IonicContact OD1-NE 3.85Å; D66-R253 WeakPolarHBondContact OD2-CD 3.24Å; D66-R253 IonicContact OD2-NE 3.2Å; D66-R253 PolarHBondContact OD2-NE 2.81Å
67	P	39.6	Very low	41.1	Very low	54 Å²	54	97.8 Å²	97.8	35%	0.351	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-20.8	-177.9	18.6	-29.8	0	0	0	112.3	S65 D184	S65-P67 VanDerWaalsContact O-N 3.11Å; P67-D184 HydrophobicContact CB-CB 4Å; P67-D184 HydrophobicContact CG-CB 4.13Å
68	D	47.6	Very low	42.5	Very low	37 Å²	37	92.4 Å²	92.4	20%	0.198	51%	0.509	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	1.4	178.4	-56.1	-22.6	0	0	0	113.8	D66 R70 R253	D66-D68 PolarHBondContact O-N 3.44Å; D68-R70 PolarHBondContact O-N 3.45Å; D68-R253 IonicContact OD2-CZ 3.56Å; D68-R253 IonicContact OD2-NE 3.53Å; D68-R253 PolarHBondContact OD2-NE 3.34Å; D68-R253 IonicContact OD2-NH2 2.77Å; D68-R253 PolarHBondContact OD2-NH2 3.08Å
69	G	42.5	Very low	43.8	Very low	33 Å²	33	83.7 Å²	83.7	34%	0.34	47%	0.471	S	S	.	.	S	Bend	trans	-77.3	8.4	175.9	0	0	0	0	0	114.5	D66 F257	D66-G69 PolarHBondContact O-N 2.93Å; G69-F257 VanDerWaalsContact O-CD1 3.26Å; G69-F257 WeakPolarHBondContact O-CD1 3.27Å; G69-F257 WeakPolarHBondContact O-CE1 3.24Å
70	R	52.8	Low	45.1	Very low	173 Å²	173	79.8 Å²	79.8	65%	0.653	45%	0.45	S	S	*	.	S	Bend	trans	-106	155.3	169.6	-64.4	-171	-166.6	-175.9	5.3	109.4	D68 D72	D68-R70 PolarHBondContact O-N 3.45Å; R70-D72 PolarHBondContact O-N 3.5Å; R70-D72 VanDerWaalsContact O-N 3.14Å
71	S	56.5	Low	46.4	Very low	45 Å²	45	83.4 Å²	83.4	32%	0.315	45%	0.452	S	S	.	.			trans	-58.7	115.7	173	-169.4	0	0	0	0	109.5	I73 Q228	S71-I73 VanDerWaalsContact C-N 3.33Å; S71-I73 PolarHBondContact OG-O 3.04Å; S71-I73 VanDerWaalsContact OG-O 3.1Å; S71-Q228 PolarHBondContact OG-NE2 3.4Å; S71-Q228 PolarHBondContact OG-OE1 2.86Å
72	D	67.4	Low	48	Very low	15 Å²	15	75.7 Å²	75.7	8%	0.08	42%	0.424	C	S	.	.			trans	-81	-15.9	172.4	54.1	3.3	0	0	0	111.8	R70 C164 A165 S166 H193 H197 H203	R70-D72 PolarHBondContact O-N 3.5Å; R70-D72 VanDerWaalsContact O-N 3.14Å; D72-C164 WeakPolarHBondContact CA-O 3.27Å; D72-C164 WeakPolarHBondContact CB-O 3.32Å; D72-A165 CarbonylContact O-C 3.58Å; D72-A165 WeakPolarHBondContact O-CA 3.4Å; D72-A165 WeakPolarHBondContact O-CB 3.44Å; D72-S166 PolarHBondContact O-N 3.23Å; D72-H193 IonicContact OD2-NE2 3.54Å; D72-H193 PolarHBondContact OD2-NE2 3.38Å; D72-H197 IonicContact OD2-NE2 2.77Å; D72-H203 IonicContact OD1-CE1 3.25Å; D72-H203 PolarHBondContact OD1-CE1 3.12Å; D72-H203 IonicContact OD1-NE2 3.67Å; D72-H203 PolarHBondContact OD1-NE2 3.12Å; D72-H203 IonicContact OD2-CD2 2.83Å; D72-H203 IonicContact OD2-CE1 3.21Å; D72-H203 IonicContact OD2-NE2 3.91Å; D72-H203 PolarHBondContact OD2-NE2 3.24Å
73	I	69.6	Low	49.2	Very low	20 Å²	20	69.8 Å²	69.8	10%	0.103	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-91.2	120.1	174.7	-65.6	173.8	0	0	0	110.3	S71 L75 V168 W202 H203	S71-I73 VanDerWaalsContact C-N 3.33Å; S71-I73 PolarHBondContact OG-O 3.04Å; S71-I73 VanDerWaalsContact OG-O 3.1Å; I73-L75 HydrophobicContact CG2-CD2 3.71Å; I73-L75 HydrophobicContact CG2-CG 4.18Å; I73-V168 HydrophobicContact CB-CG2 4.44Å; I73-V168 HydrophobicContact CD1-CG2 4.06Å; I73-V168 HydrophobicContact CG1-CG2 3.88Å; I73-V168 HydrophobicContact CG2-CG2 3.84Å; I73-W202 HydrophobicContact CD1-CE3 3.75Å; I73-W202 HydrophobicContact CD1-CZ3 3.91Å; I73-W202 HydrophobicContact CG2-CZ3 4.12Å; I73-H203 WeakPolarHBondContact CD1-CE1 3.35Å
74	V	66	Low	50.3	Low	58 Å²	58	69.6 Å²	69.6	35%	0.352	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-98.9	120.1	169	-175.9	0	0	0	0	109.4	Q79 A165 S166 N167	V74-Q79 PolarHBondContact O-OE1 3.16Å; V74-A165 HydrophobicContact CG2-CB 3.95Å; V74-S166 PolarHBondContact N-O 2.86Å; V74-S166 VanDerWaalsContact N-O 3.15Å; V74-N167 PolarHBondContact O-ND2 2.01Å
75	L	55.4	Low	51.5	Low	70 Å²	70	64.6 Å²	64.6	37%	0.366	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-95	130.4	176.9	-59.4	175	0	0	0	110.3	I73 Q79 I83 W202	I73-L75 HydrophobicContact CG2-CD2 3.71Å; I73-L75 HydrophobicContact CG2-CG 4.18Å; L75-Q79 HydrophobicContact CB-CB 3.84Å; L75-Q79 HydrophobicContact CD2-CB 3.86Å; L75-Q79 HydrophobicContact CD2-CG 4.46Å; L75-Q79 HydrophobicContact CG-CB 4.37Å; L75-I83 HydrophobicContact CD1-CD1 3.59Å; L75-I83 HydrophobicContact CD2-CD1 4.07Å; L75-I83 HydrophobicContact CG-CD1 4.48Å; L75-W202 HydrophobicContact CD2-CH2 4.3Å
76	T	55.6	Low	52.3	Low	33 Å²	33	61.1 Å²	61.1	20%	0.202	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-65.8	162.6	163.9	67.9	0	0	0	0	110.3	E78 Q79 A80	T76-E78 PolarHBondContact O-N 3.49Å; T76-Q79 WeakPolarHBondContact O-CA 3.48Å; T76-Q79 WeakPolarHBondContact O-CB 3.35Å; T76-Q79 PolarHBondContact O-N 3.32Å; T76-Q79 WeakPolarHBondContact OG1-CG 3.42Å; T76-Q79 PolarHBondContact OG1-N 3.48Å; T76-A80 PolarHBondContact O-N 3.13Å
77	A	46.1	Very low	52.8	Low	85 Å²	85	63.9 Å²	63.9	70%	0.702	36%	0.36	S	S	*	.	H	α-helix	trans	-53.5	-41.7	176.1	0	0	0	0	0	112.2	Q79 A80 E81	A77-Q79 PolarHBondContact O-N 2.04Å; A77-A80 PolarHBondContact O-N 3.07Å; A77-E81 WeakPolarHBondContact O-CB 3.43Å; A77-E81 PolarHBondContact O-N 3Å
78	E	54.2	Low	52.9	Low	79 Å²	79	66.8 Å²	66.8	37%	0.369	37%	0.372	S	S	.	.	H	α-helix	trans	-65.1	-35.2	174.8	-59.9	171.2	157.1	0	0	112.9	T76 E81 A82 M173	T76-E78 PolarHBondContact O-N 3.49Å; E78-E81 PolarHBondContact O-N 2.03Å; E78-A82 WeakPolarHBondContact O-CB 2.98Å; E78-A82 PolarHBondContact O-N 2.77Å; E78-M173 VanDerWaalsContact OE1-SD 3.4Å
79	Q	50.4	Low	52.6	Low	14 Å²	14	72 Å²	72	7%	0.065	40%	0.395	C	S	.	.	H	α-helix	trans	-67.3	-43.7	174.8	-73.7	177.1	-73.5	0	0	110.8	V74 L75 T76 A77 E81 A82 I83 R105	V74-Q79 PolarHBondContact O-OE1 3.16Å; L75-Q79 HydrophobicContact CB-CB 3.84Å; L75-Q79 HydrophobicContact CD2-CB 3.86Å; L75-Q79 HydrophobicContact CD2-CG 4.46Å; L75-Q79 HydrophobicContact CG-CB 4.37Å; T76-Q79 WeakPolarHBondContact O-CA 3.48Å; T76-Q79 WeakPolarHBondContact O-CB 3.35Å; T76-Q79 PolarHBondContact O-N 3.32Å; T76-Q79 WeakPolarHBondContact OG1-CG 3.42Å; T76-Q79 PolarHBondContact OG1-N 3.48Å; A77-Q79 PolarHBondContact O-N 2.04Å; Q79-E81 VanDerWaalsContact C-N 3.32Å; Q79-A82 PolarHBondContact O-N 2.86Å; Q79-I83 WeakPolarHBondContact O-CB 3.48Å; Q79-I83 WeakPolarHBondContact O-CD1 3.06Å; Q79-I83 VanDerWaalsContact O-CG1 3.23Å; Q79-I83 WeakPolarHBondContact O-CG1 3.37Å; Q79-I83 PolarHBondContact O-N 3.17Å; Q79-R105 VanDerWaalsContact NE2-NH2 3.11Å
80	A	55.8	Low	52.8	Low	48 Å²	48	76.6 Å²	76.6	40%	0.397	41%	0.412	S	S	.	.	H	α-helix	trans	-62.7	-40.8	174.8	0	0	0	0	0	111.3	T76 A77 I83 Y84	T76-A80 PolarHBondContact O-N 3.13Å; A77-A80 PolarHBondContact O-N 3.07Å; A80-I83 PolarHBondContact O-N 2.77Å; A80-Y84 WeakPolarHBondContact O-CB 3.19Å; A80-Y84 PolarHBondContact O-N 2.76Å
81	E	51.3	Low	52.3	Low	133 Å²	133	75.2 Å²	75.2	62%	0.621	42%	0.423	S	S	*	.	H	α-helix	trans	-69.6	-41.8	177.5	-171.9	176.3	-161.3	0	0	112.6	A77 E78 Q79 I83 Y84 S85	A77-E81 WeakPolarHBondContact O-CB 3.43Å; A77-E81 PolarHBondContact O-N 3Å; E78-E81 PolarHBondContact O-N 2.03Å; Q79-E81 VanDerWaalsContact C-N 3.32Å; E81-I83 VanDerWaalsContact C-N 3.33Å; E81-I83 PolarHBondContact O-N 3.49Å; E81-Y84 PolarHBondContact O-N 3.42Å; E81-S85 VanDerWaalsContact O-CB 3.24Å; E81-S85 WeakPolarHBondContact O-CB 3.5Å; E81-S85 PolarHBondContact O-N 3.49Å; E81-S85 PolarHBondContact O-OG 2.89Å
82	A	53.1	Low	51.4	Low	46 Å²	46	75.9 Å²	75.9	38%	0.38	44%	0.437	S	S	.	.	H	α-helix	trans	-61.2	-42.3	174	0	0	0	0	0	111.1	E78 Q79 S85 T86	E78-A82 WeakPolarHBondContact O-CB 2.98Å; E78-A82 PolarHBondContact O-N 2.77Å; Q79-A82 PolarHBondContact O-N 2.86Å; A82-S85 PolarHBondContact O-OG 3.29Å; A82-T86 VanDerWaalsContact O-CB 3.25Å; A82-T86 WeakPolarHBondContact O-CB 3.06Å; A82-T86 PolarHBondContact O-N 3.37Å; A82-T86 PolarHBondContact O-OG1 2.83Å
83	I	50.2	Low	49.8	Very low	57 Å²	57	87.3 Å²	87.3	29%	0.292	48%	0.479	S	S	.	.	H	α-helix	trans	-65.3	-47.3	174.9	-69.3	163.9	0	0	0	110.2	L75 Q79 A80 E81 T86 T87	L75-I83 HydrophobicContact CD1-CD1 3.59Å; L75-I83 HydrophobicContact CD2-CD1 4.07Å; L75-I83 HydrophobicContact CG-CD1 4.48Å; Q79-I83 WeakPolarHBondContact O-CB 3.48Å; Q79-I83 WeakPolarHBondContact O-CD1 3.06Å; Q79-I83 VanDerWaalsContact O-CG1 3.23Å; Q79-I83 WeakPolarHBondContact O-CG1 3.37Å; Q79-I83 PolarHBondContact O-N 3.17Å; A80-I83 PolarHBondContact O-N 2.77Å; E81-I83 VanDerWaalsContact C-N 3.33Å; E81-I83 PolarHBondContact O-N 3.49Å; I83-T86 PolarHBondContact O-N 2.91Å; I83-T87 PolarHBondContact O-N 2.99Å; I83-T87 PolarHBondContact O-OG1 3.45Å
84	Y	47.9	Very low	48	Very low	168 Å²	168	93.9 Å²	93.9	66%	0.659	50%	0.502	S	S	*	.	H	α-helix	trans	-64.7	-52.9	-177.4	-176.8	-97.4	0	0	0	113.2	A80 E81 T86 T87 L88	A80-Y84 WeakPolarHBondContact O-CB 3.19Å; A80-Y84 PolarHBondContact O-N 2.76Å; E81-Y84 PolarHBondContact O-N 3.42Å; Y84-T86 PolarHBondContact O-N 2.02Å; Y84-T86 VanDerWaalsContact O-N 3.09Å; Y84-T87 PolarHBondContact O-N 3.09Å; Y84-L88 HydrophobicContact CE1-CD1 4.33Å
85	S	49	Very low	46.6	Very low	59 Å²	59	97.9 Å²	97.9	41%	0.413	52%	0.515	S	S	.	.	H	α-helix	trans	-56.8	-28.4	179.1	56.9	0	0	0	0	112.6	E81 A82	E81-S85 VanDerWaalsContact O-CB 3.24Å; E81-S85 WeakPolarHBondContact O-CB 3.5Å; E81-S85 PolarHBondContact O-N 3.49Å; E81-S85 PolarHBondContact O-OG 2.89Å; A82-S85 PolarHBondContact O-OG 3.29Å
86	T	48.5	Very low	45.5	Very low	12 Å²	12	99.5 Å²	99.5	7%	0.074	52%	0.519	C	S	.	.	H	α-helix	trans	-90.8	-31.3	-177.2	-52.1	0	0	0	0	113.4	A82 I83 Y84 L88 H89 Q233 R235	A82-T86 VanDerWaalsContact O-CB 3.25Å; A82-T86 WeakPolarHBondContact O-CB 3.06Å; A82-T86 PolarHBondContact O-N 3.37Å; A82-T86 PolarHBondContact O-OG1 2.83Å; I83-T86 PolarHBondContact O-N 2.91Å; Y84-T86 PolarHBondContact O-N 2.02Å; Y84-T86 VanDerWaalsContact O-N 3.09Å; T86-L88 PolarHBondContact O-N 3.36Å; T86-H89 CarbonylContact O-C 3.48Å; T86-H89 PolarHBondContact O-N 2.93Å; T86-Q233 VanDerWaalsContact CG2-CD 3.47Å; T86-R235 VanDerWaalsContact CB-NH2 3.28Å; T86-R235 VanDerWaalsContact OG1-CZ 3.3Å; T86-R235 PolarHBondContact OG1-NH1 3.15Å; T86-R235 PolarHBondContact OG1-NH2 3.08Å
87	T	49.2	Very low	45.3	Very low	102 Å²	102	101.3 Å²	101.3	63%	0.626	52%	0.522	S	S	*	.	H	α-helix	trans	-56.7	-22.4	177	-53.8	0	0	0	0	111.6	I83 Y84	I83-T87 PolarHBondContact O-N 2.99Å; I83-T87 PolarHBondContact O-OG1 3.45Å; Y84-T87 PolarHBondContact O-N 3.09Å
88	L	41.8	Very low	45.9	Very low	115 Å²	115	97.4 Å²	97.4	60%	0.602	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-16.2	177	-64.7	170.2	0	0	0	114.9	Y84 T86	Y84-L88 HydrophobicContact CE1-CD1 4.33Å; T86-L88 PolarHBondContact O-N 3.36Å
89	H	41.1	Very low	46.3	Very low	148 Å²	148	93.7 Å²	93.7	69%	0.685	47%	0.472	S	S	*	.	S	Bend	trans	-146.4	78.8	-168	-66	-73.1	0	0	0	113.3	T86	T86-H89 CarbonylContact O-C 3.48Å; T86-H89 PolarHBondContact O-N 2.93Å
90	D	47.6	Very low	47.1	Very low	129 Å²	129	93.4 Å²	93.4	69%	0.69	47%	0.471	S	S	*	.			trans	-173.9	147.9	136.8	-142.7	-9.8	0	0	0	116.1
91	T	41	Very low	47.4	Very low	144 Å²	144	92.7 Å²	92.7	88%	0.883	47%	0.465	S	S	*	.			trans	-122.6	81.8	168.2	51.9	0	0	0	0	109
92	G	38.5	Very low	48.4	Very low	59 Å²	59	91.4 Å²	91.4	61%	0.608	46%	0.462	S	S	*	.			trans	-121.5	140.6	-172.6	0	0	0	0	0	115.8
93	R	33.6	Very low	49.3	Very low	254 Å²	254	94.6 Å²	94.6	96%	0.958	48%	0.477	S	S	*	.			trans	-63.8	144.7	-178.6	-91.7	175.5	169.9	162.9	-3.5	114.6
94	R	32.4	Very low	50.5	Low	158 Å²	158	95 Å²	95	60%	0.596	48%	0.484	S	S	*	.			trans	-68.5	127.7	-166.3	-161.3	176.4	-169.6	164.4	6.2	115.8
95	K	35	Very low	52.3	Low	143 Å²	143	88 Å²	88	62%	0.622	46%	0.457	S	S	*	.			trans	-137.8	142.9	160	-78.5	-175.7	179	179.5	0	110.3
96	K	34.2	Very low	54.3	Low	104 Å²	104	86.9 Å²	86.9	45%	0.452	45%	0.445	S	S	.	.			trans	-77.2	130.5	-173.4	-59.6	-174.5	177.4	-169.6	0	112.9	D209 S239	K96-D209 HydrophobicContact CG-CB 4.34Å; K96-D209 WeakPolarHBondContact CG-OD2 3.49Å; K96-S239 VanDerWaalsContact C-OG 3.25Å; K96-S239 WeakPolarHBondContact O-CB 3.16Å; K96-S239 PolarHBondContact O-OG 2.97Å
97	R	50.5	Low	56.4	Low	70 Å²	70	87.1 Å²	87.1	26%	0.264	45%	0.445	S	S	.	.			trans	-154.3	137.1	-163.4	-77.2	173.7	163.9	141.7	-3.4	113.5	P208 S234 V237 S239	R97-P208 WeakPolarHBondContact O-CD 3.45Å; R97-S234 WeakPolarHBondContact CD-O 3.36Å; R97-S234 PolarHBondContact NE-O 3.08Å; R97-S234 PolarHBondContact NH1-O 2.99Å; R97-V237 HydrophobicContact CB-CB 3.61Å; R97-V237 HydrophobicContact CB-CG1 3.91Å; R97-V237 WeakPolarHBondContact CB-O 3.46Å; R97-V237 WeakPolarHBondContact CD-O 3.49Å; R97-V237 WeakPolarHBondContact CG-O 3.33Å; R97-V237 PolarHBondContact NE-O 3.34Å; R97-V237 VanDerWaalsContact O-CG1 3.23Å; R97-V237 WeakPolarHBondContact O-CG1 3.42Å; R97-S239 VanDerWaalsContact CA-CB 3.43Å; R97-S239 VanDerWaalsContact CA-N 3.32Å
98	K	58.6	Low	58.5	Low	4 Å²	4	86.7 Å²	86.7	2%	0.017	44%	0.439	C	S	.	.			trans	-125.9	-39.9	176.2	178.3	172	168.2	-179.6	0	120.7	E204 R207 V237 D238 S248 D287 L290	K98-E204 WeakPolarHBondContact CD-OE2 3.28Å; K98-E204 WeakPolarHBondContact CE-OE2 3.44Å; K98-E204 IonicContact NZ-OE2 3.4Å; K98-E204 PolarHBondContact NZ-OE2 2.99Å; K98-R207 HydrophobicContact CB-CG 4.3Å; K98-V237 VanDerWaalsContact O-CG1 3.22Å; K98-V237 WeakPolarHBondContact O-CG1 3.49Å; K98-D238 PolarHBondContact N-O 3.29Å; K98-S248 PolarHBondContact NZ-OG 3.42Å; K98-D287 IonicContact NZ-OD1 3.79Å; K98-D287 PolarHBondContact NZ-OD1 3.48Å; K98-L290 HydrophobicContact CB-CD2 3.68Å; K98-L290 HydrophobicContact CD-CD2 3.45Å; K98-L290 VanDerWaalsContact CD-CD2 3.45Å; K98-L290 HydrophobicContact CG-CD2 3.54Å
99	F	62.1	Low	60.9	Low	0 Å²	0	82.3 Å²	82.3	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	160.4	-176.4	-174.3	-90.5	0	0	0	113.3	A101 H106 L199 G200 F201 V237 D238 L290 M291 I294 Y295	F99-A101 PolarHBondContact O-N 2.95Å; F99-A101 VanDerWaalsContact O-N 3.13Å; F99-H106 AromaticContact CD1-NE2 3.74Å; F99-H106 AromaticContact CE1-CD2 3.49Å; F99-H106 VanDerWaalsContact CE1-CD2 3.49Å; F99-H106 WeakPolarHBondContact CE1-CD2 3.2Å; F99-H106 AromaticContact CE1-CE1 3.85Å; F99-H106 AromaticContact CE1-NE2 3.36Å; F99-H106 WeakPolarHBondContact CE1-NE2 3.34Å; F99-L199 VanDerWaalsContact CE2-O 3.26Å; F99-L199 WeakPolarHBondContact CE2-O 3.04Å; F99-L199 WeakPolarHBondContact CZ-O 3.38Å; F99-G200 CarbonylContact C-O 3.55Å; F99-G200 WeakPolarHBondContact CA-O 3.23Å; F99-G200 VanDerWaalsContact CD2-C 3.47Å; F99-G200 VanDerWaalsContact CD2-O 3.23Å; F99-G200 WeakPolarHBondContact CD2-O 3.09Å; F99-G200 WeakPolarHBondContact CG-O 3.48Å; F99-F201 HydrophobicContact CB-CD2 4.38Å; F99-F201 AromaticContact CD2-CD2 3.54Å; F99-F201 HydrophobicContact CD2-CD2 3.54Å; F99-F201 AromaticContact CD2-CE2 3.66Å; F99-F201 HydrophobicContact CD2-CE2 3.66Å; F99-F201 HydrophobicContact CD2-CG 4.5Å; F99-F201 HydrophobicContact CE2-CD2 4.35Å; F99-F201 HydrophobicContact CE2-CE2 4.41Å; F99-F201 HydrophobicContact CG-CD2 4.42Å; F99-V237 CarbonylContact O-C 3.53Å; F99-V237 WeakPolarHBondContact O-CA 3.09Å; F99-D238 WeakPolarHBondContact CB-O 3.49Å; F99-D238 PolarHBondContact N-O 3.47Å; F99-D238 PolarHBondContact O-N 2.99Å; F99-L290 HydrophobicContact CB-CD2 4.38Å; F99-M291 HydrophobicContact CE2-SD 4.11Å; F99-I294 HydrophobicContact CB-CD1 3.26Å; F99-I294 HydrophobicContact CD1-CD1 3.45Å; F99-I294 VanDerWaalsContact CD1-CD1 3.45Å; F99-I294 HydrophobicContact CD1-CG2 4.15Å; F99-I294 HydrophobicContact CD2-CD1 3.46Å; F99-I294 VanDerWaalsContact CD2-CD1 3.46Å; F99-I294 HydrophobicContact CE1-CD1 4.06Å; F99-I294 HydrophobicContact CE1-CG2 3.75Å; F99-I294 HydrophobicContact CE2-CD1 4.06Å; F99-I294 HydrophobicContact CE2-CG2 4.5Å; F99-I294 HydrophobicContact CG-CD1 3.13Å; F99-I294 HydrophobicContact CZ-CD1 4.32Å; F99-I294 HydrophobicContact CZ-CG2 3.94Å; F99-Y295 AromaticContact CE2-CE2 3.9Å; F99-Y295 HydrophobicContact CE2-CE2 3.9Å; F99-Y295 AromaticContact CZ-CE2 3.54Å; F99-Y295 HydrophobicContact CZ-CE2 3.54Å; F99-Y295 AromaticContact CZ-CZ 3.69Å; F99-Y295 WeakPolarHBondContact CZ-OH 3.43Å
100	I	67.4	Low	63.4	Low	8 Å²	8	80 Å²	80	4%	0.041	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	122.7	176.6	-60	170.9	0	0	0	112.2	L102 R105 H106 V168 G169 G200 W202 E236	I100-L102 HydrophobicContact CG2-CB 4.03Å; I100-R105 HydrophobicContact CB-CB 4.48Å; I100-R105 HydrophobicContact CD1-CB 3.96Å; I100-R105 HydrophobicContact CG2-CB 3.69Å; I100-R105 HydrophobicContact CG2-CG 4Å; I100-H106 PolarHBondContact O-NE2 3.06Å; I100-V168 HydrophobicContact CD1-CB 4.4Å; I100-V168 HydrophobicContact CD1-CG1 3.55Å; I100-V168 VanDerWaalsContact CD1-O 3.27Å; I100-V168 WeakPolarHBondContact CD1-O 3.45Å; I100-V168 HydrophobicContact CG1-CG1 3.68Å; I100-G169 VanDerWaalsContact CD1-CA 3.44Å; I100-G200 PolarHBondContact N-O 3.41Å; I100-W202 HydrophobicContact CG1-CZ2 4.4Å; I100-E236 CarbonylContact C-O 3.5Å; I100-E236 VanDerWaalsContact CA-O 3.31Å; I100-E236 WeakPolarHBondContact CA-O 3.35Å
101	A	62.6	Low	65.6	Low	34 Å²	34	79 Å²	79	28%	0.281	41%	0.412	S	S	.	.			trans	-72.2	-30.6	-179.4	0	0	0	0	0	113.7	F99 T103 R235 E236	F99-A101 PolarHBondContact O-N 2.95Å; F99-A101 VanDerWaalsContact O-N 3.13Å; A101-T103 PolarHBondContact O-N 3.48Å; A101-R235 WeakPolarHBondContact CB-O 3.48Å; A101-E236 PolarHBondContact N-O 3.15Å
102	L	71.5	Confident	68.2	Low	105 Å²	105	74.6 Å²	74.6	55%	0.55	39%	0.386	S	S	.	.			trans	-69.9	113.4	-177.6	-68.5	171.7	0	0	0	111	I100 S104 R105 H106	I100-L102 HydrophobicContact CG2-CB 4.03Å; L102-S104 PolarHBondContact O-N 2.99Å; L102-R105 HydrophobicContact CB-CB 4.45Å; L102-R105 HydrophobicContact CB-CG 3.92Å; L102-R105 HydrophobicContact CD1-CG 4.44Å; L102-R105 WeakPolarHBondContact O-CB 3.43Å; L102-R105 PolarHBondContact O-N 2.93Å; L102-H106 PolarHBondContact O-CD2 2.84Å; L102-H106 PolarHBondContact O-NE2 3.46Å
103	T	73.3	Confident	71	Confident	113 Å²	113	72 Å²	72	69%	0.693	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-62	-26	178.3	50.1	0	0	0	0	113.3	A101 R105 H106	A101-T103 PolarHBondContact O-N 3.48Å; T103-R105 PolarHBondContact O-N 2.94Å; T103-H106 WeakPolarHBondContact O-CB 3.25Å; T103-H106 PolarHBondContact O-N 2.8Å
104	S	75.7	Confident	74.1	Confident	65 Å²	65	61.2 Å²	61.2	46%	0.455	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-62.6	-22.1	173.3	56.4	0	0	0	0	113.6	L102 R170	L102-S104 PolarHBondContact O-N 2.99Å; S104-R170 PolarHBondContact O-NH1 3.14Å; S104-R170 VanDerWaalsContact O-NH1 3.15Å
105	R	85.1	Confident	77.2	Confident	22 Å²	22	54.5 Å²	54.5	8%	0.083	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-94.8	-0.2	177.7	-57.1	-70.5	-64.6	-140.5	2.2	112.5	Q79 I100 L102 T103 V168 R170	Q79-R105 VanDerWaalsContact NE2-NH2 3.11Å; I100-R105 HydrophobicContact CB-CB 4.48Å; I100-R105 HydrophobicContact CD1-CB 3.96Å; I100-R105 HydrophobicContact CG2-CB 3.69Å; I100-R105 HydrophobicContact CG2-CG 4Å; L102-R105 HydrophobicContact CB-CB 4.45Å; L102-R105 HydrophobicContact CB-CG 3.92Å; L102-R105 HydrophobicContact CD1-CG 4.44Å; L102-R105 WeakPolarHBondContact O-CB 3.43Å; L102-R105 PolarHBondContact O-N 2.93Å; T103-R105 PolarHBondContact O-N 2.94Å; R105-V168 PolarHBondContact NH2-O 2.83Å; R105-R170 VanDerWaalsContact CD-O 3.32Å; R105-R170 WeakPolarHBondContact CD-O 3.45Å; R105-R170 PolarHBondContact NE-O 2.93Å; R105-R170 VanDerWaalsContact NE-O 3.08Å; R105-R170 WeakPolarHBondContact O-CB 3.5Å; R105-R170 PolarHBondContact O-N 3.37Å
106	H	90.1	Very high	80.2	Confident	36 Å²	36	48 Å²	48	17%	0.167	27%	0.266	C	S	.	.	S	Bend	trans	-84.3	145.1	175.9	-63.7	-169.7	0	0	0	109.2	F99 I100 L102 T103 R170 Y295	F99-H106 AromaticContact CD1-NE2 3.74Å; F99-H106 AromaticContact CE1-CD2 3.49Å; F99-H106 VanDerWaalsContact CE1-CD2 3.49Å; F99-H106 WeakPolarHBondContact CE1-CD2 3.2Å; F99-H106 AromaticContact CE1-CE1 3.85Å; F99-H106 AromaticContact CE1-NE2 3.36Å; F99-H106 WeakPolarHBondContact CE1-NE2 3.34Å; I100-H106 PolarHBondContact O-NE2 3.06Å; L102-H106 PolarHBondContact O-CD2 2.84Å; L102-H106 PolarHBondContact O-NE2 3.46Å; T103-H106 WeakPolarHBondContact O-CB 3.25Å; T103-H106 PolarHBondContact O-N 2.8Å; H106-R170 WeakPolarHBondContact O-CD 3.31Å; H106-Y295 HydrophobicContact CB-CE1 4.02Å
107	W	93.6	Very high	83.3	Confident	17 Å²	17	44.3 Å²	44.3	6%	0.064	25%	0.25	C	S	.	.			trans	-72.8	149.2	169	-65	91.9	0	0	0	110.5	A109 I113 N154 I156 R170 A198 Y295	W107-A109 PolarHBondContact O-N 3.08Å; W107-A109 VanDerWaalsContact O-N 3.17Å; W107-I113 HydrophobicContact CB-CD1 3.79Å; W107-I113 HydrophobicContact CB-CG1 4.05Å; W107-I113 HydrophobicContact CD2-CD1 3.86Å; W107-I113 HydrophobicContact CD2-CG1 3.9Å; W107-I113 HydrophobicContact CD2-CG2 4.09Å; W107-I113 HydrophobicContact CE3-CB 4.27Å; W107-I113 HydrophobicContact CE3-CD1 4.29Å; W107-I113 HydrophobicContact CE3-CG1 3.8Å; W107-I113 HydrophobicContact CE3-CG2 3.79Å; W107-I113 HydrophobicContact CG-CD1 3.62Å; W107-I113 HydrophobicContact CG-CG1 4.03Å; W107-I113 HydrophobicContact CH2-CG2 3.93Å; W107-I113 HydrophobicContact CZ2-CG2 4.23Å; W107-I113 HydrophobicContact CZ3-CG2 3.69Å; W107-N154 HydrophobicContact CH2-CB 4.2Å; W107-N154 HydrophobicContact CZ3-CB 3.8Å; W107-I156 HydrophobicContact CH2-CD1 4.45Å; W107-I156 HydrophobicContact CH2-CG1 3.99Å; W107-I156 HydrophobicContact CZ2-CD1 4Å; W107-I156 HydrophobicContact CZ2-CG1 3.86Å; W107-R170 HydrophobicContact CD2-CB 3.87Å; W107-R170 HydrophobicContact CD2-CG 4.11Å; W107-R170 HydrophobicContact CE3-CB 4.36Å; W107-R170 HydrophobicContact CE3-CG 4.08Å; W107-R170 HydrophobicContact CG-CB 4.18Å; W107-R170 HydrophobicContact CH2-CG 4.28Å; W107-R170 HydrophobicContact CZ2-CB 4.11Å; W107-R170 HydrophobicContact CZ2-CG 4.29Å; W107-R170 HydrophobicContact CZ3-CG 4.18Å; W107-A198 PolarHBondContact NE1-O 3.48Å; W107-Y295 HydrophobicContact CB-CE1 4.16Å; W107-Y295 PolarHBondContact N-OH 2.74Å; W107-Y295 VanDerWaalsContact N-OH 3.09Å; W107-Y295 WeakPolarHBondContact O-CE1 3.35Å
108	N	92.2	Very high	85.4	Confident	93 Å²	93	44.2 Å²	44.2	50%	0.497	26%	0.255	S	S	.	.			trans	-76	106	172.2	-177.1	-7	0	0	0	109.3	S110 M111	N108-S110 PolarHBondContact O-N 3.5Å; N108-S110 VanDerWaalsContact O-N 3.12Å; N108-S110 WeakPolarHBondContact OD1-CB 3.41Å; N108-S110 PolarHBondContact OD1-N 3.35Å; N108-M111 PolarHBondContact O-N 3.28Å
109	A	92.9	Very high	87.1	Confident	22 Å²	22	47 Å²	47	18%	0.182	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.1	-178.5	0	0	0	0	0	114.3	W107 M111 L142 Y295	W107-A109 PolarHBondContact O-N 3.08Å; W107-A109 VanDerWaalsContact O-N 3.17Å; A109-M111 PolarHBondContact O-N 2.03Å; A109-L142 HydrophobicContact CB-CD2 4.07Å; A109-Y295 HydrophobicContact CB-CD1 4.12Å; A109-Y295 WeakPolarHBondContact CB-O 3.46Å
110	S	92.8	Very high	88.7	Confident	99 Å²	99	48.7 Å²	48.7	69%	0.692	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-8.4	176.3	-56.2	0	0	0	0	113.4	N108	N108-S110 PolarHBondContact O-N 3.5Å; N108-S110 VanDerWaalsContact O-N 3.12Å; N108-S110 WeakPolarHBondContact OD1-CB 3.41Å; N108-S110 PolarHBondContact OD1-N 3.35Å
111	M	93.8	Very high	90.2	Very high	110 Å²	110	48.9 Å²	48.9	54%	0.542	30%	0.297	S	S	.	.	S	Bend	trans	-124.7	146.1	-179.2	-67.6	-175.6	63.6	0	0	111.1	N108 A109 I113	N108-M111 PolarHBondContact O-N 3.28Å; A109-M111 PolarHBondContact O-N 2.03Å; M111-I113 PolarHBondContact O-N 3.48Å
112	P	96.9	Very high	91.8	Very high	51 Å²	51	51 Å²	51	33%	0.331	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-61.3	137.6	170.7	-20.8	32.5	0	0	0	111.5	D114 R143 R145	P112-D114 PolarHBondContact O-N 2.81Å; P112-R143 CarbonylContact C-O 3.59Å; P112-R143 WeakPolarHBondContact CA-O 3.47Å; P112-R143 HydrophobicContact CB-CB 4.15Å; P112-R143 HydrophobicContact CG-CB 4.34Å; P112-R145 HydrophobicContact CB-CB 3.73Å
113	I	97.5	Very high	93	Very high	3 Å²	3	54 Å²	54	2%	0.015	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	116	169.2	-60.5	172.8	0	0	0	107.3	W107 M111 R143 F144 R145 I156 L199	W107-I113 HydrophobicContact CB-CD1 3.79Å; W107-I113 HydrophobicContact CB-CG1 4.05Å; W107-I113 HydrophobicContact CD2-CD1 3.86Å; W107-I113 HydrophobicContact CD2-CG1 3.9Å; W107-I113 HydrophobicContact CD2-CG2 4.09Å; W107-I113 HydrophobicContact CE3-CB 4.27Å; W107-I113 HydrophobicContact CE3-CD1 4.29Å; W107-I113 HydrophobicContact CE3-CG1 3.8Å; W107-I113 HydrophobicContact CE3-CG2 3.79Å; W107-I113 HydrophobicContact CG-CD1 3.62Å; W107-I113 HydrophobicContact CG-CG1 4.03Å; W107-I113 HydrophobicContact CH2-CG2 3.93Å; W107-I113 HydrophobicContact CZ2-CG2 4.23Å; W107-I113 HydrophobicContact CZ3-CG2 3.69Å; M111-I113 PolarHBondContact O-N 3.48Å; I113-R143 PolarHBondContact N-O 3.25Å; I113-F144 HydrophobicContact CB-CD1 3.86Å; I113-F144 HydrophobicContact CB-CE1 4.05Å; I113-F144 HydrophobicContact CD1-CE1 4.01Å; I113-F144 HydrophobicContact CD1-CZ 4.41Å; I113-F144 HydrophobicContact CG2-CD1 4.1Å; I113-F144 HydrophobicContact CG2-CE1 4.12Å; I113-F144 WeakPolarHBondContact O-CA 3.5Å; I113-R145 PolarHBondContact O-N 3.32Å; I113-I156 HydrophobicContact CG2-CD1 3.82Å; I113-I156 HydrophobicContact CG2-CG1 4.28Å; I113-L199 HydrophobicContact CD1-CD2 3.42Å; I113-L199 VanDerWaalsContact CD1-CD2 3.42Å
114	D	97.7	Very high	94.1	Very high	29 Å²	29	56.5 Å²	56.5	16%	0.155	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	137.2	177.7	-77.3	-30.3	0	0	0	110.4	P112 R145 R147 R155 I156	P112-D114 PolarHBondContact O-N 2.81Å; D114-R145 WeakPolarHBondContact CA-O 3.35Å; D114-R145 VanDerWaalsContact CG-NH2 3.3Å; D114-R145 IonicContact OD1-CZ 2.7Å; D114-R145 IonicContact OD1-NE 3.22Å; D114-R145 PolarHBondContact OD1-NE 3.46Å; D114-R145 IonicContact OD1-NH2 3.2Å; D114-R145 PolarHBondContact OD1-NH2 3.05Å; D114-R145 IonicContact OD2-CZ 3.96Å; D114-R145 IonicContact OD2-NH2 2.93Å; D114-R145 PolarHBondContact OD2-NH2 3.15Å; D114-R147 HydrophobicContact CB-CG 3.86Å; D114-R155 HydrophobicContact CB-CB 4.49Å; D114-R155 HydrophobicContact CB-CG 4.17Å; D114-R155 WeakPolarHBondContact O-CA 3.03Å; D114-R155 WeakPolarHBondContact O-CG 2.98Å; D114-I156 PolarHBondContact O-N 2.82Å
115	Y	98.4	Very high	95.1	Very high	16 Å²	16	54.8 Å²	54.8	6%	0.063	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	156.3	171.7	76.6	-83.6	0	0	0	112.5	F117 E130 L133 F144 R145 R146 R147 I156 F158	Y115-F117 HydrophobicContact CD2-CE2 4.28Å; Y115-F117 HydrophobicContact CD2-CZ 4.46Å; Y115-F117 AromaticContact CE2-CE2 3.74Å; Y115-F117 HydrophobicContact CE2-CE2 3.74Å; Y115-F117 HydrophobicContact CE2-CZ 4.03Å; Y115-E130 HydrophobicContact CE2-CG 4.32Å; Y115-E130 WeakPolarHBondContact OH-CG 3.04Å; Y115-E130 PolarHBondContact OH-OE1 3.37Å; Y115-L133 HydrophobicContact CD1-CD1 3.83Å; Y115-L133 HydrophobicContact CD2-CD1 4.01Å; Y115-L133 HydrophobicContact CE1-CD1 3.68Å; Y115-L133 HydrophobicContact CE2-CD1 3.88Å; Y115-L133 HydrophobicContact CG-CD1 3.98Å; Y115-F144 HydrophobicContact CD1-CB 3.91Å; Y115-F144 HydrophobicContact CE1-CB 3.85Å; Y115-R145 WeakPolarHBondContact CD1-O 3.45Å; Y115-R145 VanDerWaalsContact CE1-C 3.48Å; Y115-R145 PolarHBondContact N-O 2.84Å; Y115-R146 HydrophobicContact CE1-CB 3.97Å; Y115-R146 VanDerWaalsContact CE1-N 3.32Å; Y115-R146 HydrophobicContact CE2-CB 4.11Å; Y115-R146 HydrophobicContact CE2-CG 4Å; Y115-R146 CarbonylContact O-C 3.11Å; Y115-R146 WeakPolarHBondContact O-CA 3.31Å; Y115-R146 WeakPolarHBondContact OH-CB 3.37Å; Y115-R147 WeakPolarHBondContact O-CB 3.38Å; Y115-R147 PolarHBondContact O-N 3.45Å; Y115-I156 CarbonylContact C-O 3.57Å; Y115-I156 WeakPolarHBondContact CA-O 3.32Å; Y115-I156 WeakPolarHBondContact CB-O 3.3Å; Y115-F158 AromaticContact CD2-CD2 3.93Å; Y115-F158 HydrophobicContact CD2-CD2 3.93Å; Y115-F158 AromaticContact CD2-CE2 3.74Å; Y115-F158 HydrophobicContact CD2-CE2 3.74Å; Y115-F158 HydrophobicContact CG-CE2 4.06Å
116	S	98.1	Very high	95.7	Very high	6 Å²	6	55.1 Å²	55.1	4%	0.042	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	165.6	174.6	55.2	0	0	0	0	110.9	R147 R155 I156 I157 F158	S116-R147 VanDerWaalsContact CB-O 3.27Å; S116-R147 WeakPolarHBondContact CB-O 3.36Å; S116-R155 VanDerWaalsContact OG-CD 3.3Å; S116-R155 WeakPolarHBondContact OG-CD 3.46Å; S116-I156 PolarHBondContact N-O 3.42Å; S116-I157 WeakPolarHBondContact O-CA 3.25Å; S116-F158 PolarHBondContact O-N 3.47Å
117	F	97.8	Very high	96	Very high	27 Å²	27	59.8 Å²	59.8	12%	0.118	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	144.4	171.2	-60.4	-83.7	0	0	0	109.1	Y115 G119 H121 E126 I129 E130 F158	Y115-F117 HydrophobicContact CD2-CE2 4.28Å; Y115-F117 HydrophobicContact CD2-CZ 4.46Å; Y115-F117 AromaticContact CE2-CE2 3.74Å; Y115-F117 HydrophobicContact CE2-CE2 3.74Å; Y115-F117 HydrophobicContact CE2-CZ 4.03Å; F117-G119 PolarHBondContact O-N 2.03Å; F117-H121 HydrophobicContact CD1-CB 4.46Å; F117-H121 AromaticContact CD1-ND1 3.73Å; F117-E126 WeakPolarHBondContact CB-OE1 3.37Å; F117-E126 HydrophobicContact CD1-CB 4.45Å; F117-E126 HydrophobicContact CD1-CG 3.76Å; F117-E126 HydrophobicContact CD2-CB 4.38Å; F117-E126 HydrophobicContact CD2-CG 3.89Å; F117-E126 WeakPolarHBondContact CD2-OE1 3.31Å; F117-E126 HydrophobicContact CE1-CB 4Å; F117-E126 HydrophobicContact CE1-CG 3.82Å; F117-E126 HydrophobicContact CE2-CB 3.89Å; F117-E126 HydrophobicContact CE2-CG 3.91Å; F117-E126 HydrophobicContact CG-CG 3.82Å; F117-E126 WeakPolarHBondContact CG-OE1 3.41Å; F117-E126 HydrophobicContact CZ-CB 3.69Å; F117-E126 HydrophobicContact CZ-CG 3.89Å; F117-I129 HydrophobicContact CD1-CD1 4.49Å; F117-I129 HydrophobicContact CE1-CB 4.09Å; F117-I129 HydrophobicContact CE1-CD1 3.72Å; F117-I129 HydrophobicContact CE1-CG2 3.99Å; F117-I129 HydrophobicContact CZ-CB 4.25Å; F117-I129 HydrophobicContact CZ-CG2 4.14Å; F117-E130 HydrophobicContact CZ-CG 4.28Å; F117-F158 HydrophobicContact CD1-CB 3.56Å; F117-F158 HydrophobicContact CD1-CD2 4.35Å; F117-F158 HydrophobicContact CD1-CG 4.29Å; F117-F158 HydrophobicContact CE1-CB 3.78Å; F117-F158 AromaticContact CE1-CD2 3.96Å; F117-F158 HydrophobicContact CE1-CD2 3.96Å; F117-F158 HydrophobicContact CE1-CG 4.04Å; F117-F158 HydrophobicContact CZ-CD2 4.4Å
118	D	95.6	Very high	96.2	Very high	69 Å²	69	61.7 Å²	61.7	37%	0.369	33%	0.334	S	S	.	.			trans	-81.4	-2.5	176.1	71.5	-10.6	0	0	0	113.6	S120 I157 F158 T159	D118-S120 WeakPolarHBondContact OD1-CB 3.35Å; D118-S120 PolarHBondContact OD1-N 3.35Å; D118-S120 PolarHBondContact OD1-OG 2.86Å; D118-I157 HydrophobicContact CB-CG2 4.12Å; D118-F158 PolarHBondContact N-O 3.42Å; D118-F158 VanDerWaalsContact N-O 3.14Å; D118-T159 WeakPolarHBondContact OD2-CB 3.35Å; D118-T159 PolarHBondContact OD2-OG1 3.03Å
119	G	94.6	Very high	96.5	Very high	61 Å²	61	57.3 Å²	57.3	63%	0.629	31%	0.31	S	S	*	.	S	Bend	trans	92.1	2.1	-177.7	0	0	0	0	0	114.9	F117	F117-G119 PolarHBondContact O-N 2.03Å
120	S	96.2	Very high	96.8	Very high	37 Å²	37	58.8 Å²	58.8	26%	0.259	31%	0.313	S	S	.	.			trans	-75.7	-26.1	175.5	61.7	0	0	0	0	113.8	D118 D160	D118-S120 WeakPolarHBondContact OD1-CB 3.35Å; D118-S120 PolarHBondContact OD1-N 3.35Å; D118-S120 PolarHBondContact OD1-OG 2.86Å; S120-D160 VanDerWaalsContact CB-CG 3.44Å; S120-D160 VanDerWaalsContact CB-OD1 3.23Å; S120-D160 WeakPolarHBondContact CB-OD1 3.37Å; S120-D160 PolarHBondContact OG-N 3.23Å; S120-D160 VanDerWaalsContact OG-N 3.13Å
121	H	97.1	Very high	96.9	Very high	11 Å²	11	55.7 Å²	55.7	5%	0.051	29%	0.289	C	S	.	.	S	Bend	trans	-86.5	140.3	178.8	-62.2	115	0	0	0	112.7	F117 Q125 E126 T159 L181	F117-H121 HydrophobicContact CD1-CB 4.46Å; F117-H121 AromaticContact CD1-ND1 3.73Å; H121-Q125 HydrophobicContact CB-CB 4.08Å; H121-E126 HydrophobicContact CB-CG 3.96Å; H121-T159 PolarHBondContact CE1-N 2.92Å; H121-T159 PolarHBondContact CE1-O 3.39Å; H121-T159 PolarHBondContact NE2-O 3.08Å; H121-L181 PolarHBondContact NE2-O 3.24Å
122	T	96.7	Very high	97.1	Very high	80 Å²	80	50.4 Å²	50.4	49%	0.491	26%	0.263	S	S	.	.			trans	-70.4	156.6	167.5	63	0	0	0	0	111.1	K124 Q125 E126	T122-K124 PolarHBondContact O-N 3.04Å; T122-K124 VanDerWaalsContact O-N 3.08Å; T122-Q125 WeakPolarHBondContact O-CA 3.13Å; T122-Q125 WeakPolarHBondContact O-CB 3.44Å; T122-Q125 PolarHBondContact O-N 3.3Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.12Å; T122-Q125 PolarHBondContact OG1-N 2.84Å; T122-Q125 PolarHBondContact OG1-OE1 2.83Å; T122-E126 PolarHBondContact O-N 3.21Å
123	E	96.8	Very high	97.1	Very high	168 Å²	168	48.2 Å²	48.2	79%	0.785	25%	0.248	S	C	*	.	H	α-helix	trans	-52	-36	177.2	-174.2	179.5	-166.4	0	0	113.1	R127	E123-R127 WeakPolarHBondContact O-CB 3.24Å; E123-R127 PolarHBondContact O-N 2.92Å
124	K	95.9	Very high	97.1	Very high	165 Å²	165	50.2 Å²	50.2	72%	0.717	26%	0.257	S	S	*	.	H	α-helix	trans	-66.6	-38.8	176	-174	-179.9	177.8	-176.1	0	112.4	T122 L128	T122-K124 PolarHBondContact O-N 3.04Å; T122-K124 VanDerWaalsContact O-N 3.08Å; K124-L128 PolarHBondContact O-N 2.02Å
125	Q	97.2	Very high	97.1	Very high	29 Å²	29	50.8 Å²	50.8	14%	0.136	26%	0.259	C	S	.	.	H	α-helix	trans	-72	-44.2	177.4	-70.3	166.7	-55.4	0	0	110.8	H121 T122 R127 L128 I129 M186	H121-Q125 HydrophobicContact CB-CB 4.08Å; T122-Q125 WeakPolarHBondContact O-CA 3.13Å; T122-Q125 WeakPolarHBondContact O-CB 3.44Å; T122-Q125 PolarHBondContact O-N 3.3Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.12Å; T122-Q125 PolarHBondContact OG1-N 2.84Å; T122-Q125 PolarHBondContact OG1-OE1 2.83Å; Q125-R127 VanDerWaalsContact C-N 3.25Å; Q125-R127 PolarHBondContact O-N 2.72Å; Q125-L128 WeakPolarHBondContact O-CB 3.46Å; Q125-L128 PolarHBondContact O-N 3.47Å; Q125-I129 WeakPolarHBondContact O-CG1 3.44Å; Q125-I129 PolarHBondContact O-N 3.01Å; Q125-M186 HydrophobicContact CB-SD 3.72Å; Q125-M186 HydrophobicContact CG-CG 4.02Å; Q125-M186 HydrophobicContact CG-SD 3.67Å
126	E	98.1	Very high	97	Very high	28 Å²	28	50 Å²	50	13%	0.131	26%	0.256	C	S	.	.	H	α-helix	trans	-53.5	-45.8	173.5	-65.3	-169.2	158.7	0	0	110.9	F117 H121 T122 L128 I129 E130 R146	F117-E126 WeakPolarHBondContact CB-OE1 3.37Å; F117-E126 HydrophobicContact CD1-CB 4.45Å; F117-E126 HydrophobicContact CD1-CG 3.76Å; F117-E126 HydrophobicContact CD2-CB 4.38Å; F117-E126 HydrophobicContact CD2-CG 3.89Å; F117-E126 WeakPolarHBondContact CD2-OE1 3.31Å; F117-E126 HydrophobicContact CE1-CB 4Å; F117-E126 HydrophobicContact CE1-CG 3.82Å; F117-E126 HydrophobicContact CE2-CB 3.89Å; F117-E126 HydrophobicContact CE2-CG 3.91Å; F117-E126 HydrophobicContact CG-CG 3.82Å; F117-E126 WeakPolarHBondContact CG-OE1 3.41Å; F117-E126 HydrophobicContact CZ-CB 3.69Å; F117-E126 HydrophobicContact CZ-CG 3.89Å; H121-E126 HydrophobicContact CB-CG 3.96Å; T122-E126 PolarHBondContact O-N 3.21Å; E126-L128 VanDerWaalsContact C-N 3.33Å; E126-L128 PolarHBondContact O-N 3.01Å; E126-I129 WeakPolarHBondContact O-CA 2.98Å; E126-I129 WeakPolarHBondContact O-CB 3.03Å; E126-I129 PolarHBondContact O-N 2.84Å; E126-I129 VanDerWaalsContact O-N 3.08Å; E126-E130 WeakPolarHBondContact O-CG 3.07Å; E126-E130 PolarHBondContact O-N 2.87Å; E126-R146 VanDerWaalsContact CD-NH2 3.34Å; E126-R146 IonicContact OE1-NH2 3.66Å; E126-R146 PolarHBondContact OE1-NH2 2.95Å; E126-R146 IonicContact OE2-CZ 3.43Å; E126-R146 IonicContact OE2-NH1 3.49Å; E126-R146 PolarHBondContact OE2-NH1 2.92Å; E126-R146 IonicContact OE2-NH2 2.73Å; E126-R146 PolarHBondContact OE2-NH2 2.71Å
127	R	97.2	Very high	97	Very high	135 Å²	135	50.8 Å²	50.8	51%	0.509	26%	0.259	S	S	.	.	H	α-helix	trans	-61.1	-38	177.4	-174	174.1	179.9	167.5	3	113.2	E123 Q125 I129 E130 L131	E123-R127 WeakPolarHBondContact O-CB 3.24Å; E123-R127 PolarHBondContact O-N 2.92Å; Q125-R127 VanDerWaalsContact C-N 3.25Å; Q125-R127 PolarHBondContact O-N 2.72Å; R127-I129 VanDerWaalsContact C-N 3.33Å; R127-E130 PolarHBondContact O-N 3.02Å; R127-L131 VanDerWaalsContact O-CG 3.25Å; R127-L131 WeakPolarHBondContact O-CG 3.03Å; R127-L131 PolarHBondContact O-N 2.81Å
128	L	96.7	Very high	96.9	Very high	57 Å²	57	52 Å²	52	30%	0.298	27%	0.266	S	S	.	.	H	α-helix	trans	-66.3	-37.9	174.8	-73.6	173	0	0	0	111.5	K124 Q125 E126 L131 A132 M186 I191	K124-L128 PolarHBondContact O-N 2.02Å; Q125-L128 WeakPolarHBondContact O-CB 3.46Å; Q125-L128 PolarHBondContact O-N 3.47Å; E126-L128 VanDerWaalsContact C-N 3.33Å; E126-L128 PolarHBondContact O-N 3.01Å; L128-L131 HydrophobicContact CD2-CD1 4.38Å; L128-L131 PolarHBondContact O-N 2.83Å; L128-A132 PolarHBondContact O-N 2.6Å; L128-M186 HydrophobicContact CD1-CB 4.36Å; L128-I191 HydrophobicContact CB-CD1 4.15Å
129	I	98.3	Very high	97	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-64.6	-47.5	175.8	-65.8	166.5	0	0	0	110.3	F117 Q125 E126 R127 L131 A132 L133 F158 L181 I191	F117-I129 HydrophobicContact CD1-CD1 4.49Å; F117-I129 HydrophobicContact CE1-CB 4.09Å; F117-I129 HydrophobicContact CE1-CD1 3.72Å; F117-I129 HydrophobicContact CE1-CG2 3.99Å; F117-I129 HydrophobicContact CZ-CB 4.25Å; F117-I129 HydrophobicContact CZ-CG2 4.14Å; Q125-I129 WeakPolarHBondContact O-CG1 3.44Å; Q125-I129 PolarHBondContact O-N 3.01Å; E126-I129 WeakPolarHBondContact O-CA 2.98Å; E126-I129 WeakPolarHBondContact O-CB 3.03Å; E126-I129 PolarHBondContact O-N 2.84Å; E126-I129 VanDerWaalsContact O-N 3.08Å; R127-I129 VanDerWaalsContact C-N 3.33Å; I129-L131 VanDerWaalsContact C-N 3.28Å; I129-L131 PolarHBondContact O-N 2.98Å; I129-A132 WeakPolarHBondContact O-CB 3.27Å; I129-A132 PolarHBondContact O-N 2.9Å; I129-L133 WeakPolarHBondContact O-CG 3.29Å; I129-L133 PolarHBondContact O-N 2.81Å; I129-F158 HydrophobicContact CD1-CB 4.49Å; I129-F158 HydrophobicContact CD1-CD1 4.44Å; I129-F158 HydrophobicContact CG2-CD1 3.83Å; I129-F158 HydrophobicContact CG2-CD2 3.96Å; I129-F158 HydrophobicContact CG2-CE1 3.63Å; I129-F158 HydrophobicContact CG2-CE2 3.79Å; I129-F158 HydrophobicContact CG2-CG 3.98Å; I129-F158 HydrophobicContact CG2-CZ 3.62Å; I129-L181 HydrophobicContact CD1-CD1 3.71Å; I129-L181 HydrophobicContact CG1-CD1 3.77Å; I129-I191 HydrophobicContact CB-CG2 4.44Å; I129-I191 HydrophobicContact CG1-CD1 3.97Å; I129-I191 HydrophobicContact CG1-CG2 4.23Å; I129-I191 HydrophobicContact CG2-CG2 4.31Å
130	E	98.5	Very high	97.1	Very high	53 Å²	53	46.2 Å²	46.2	25%	0.248	22%	0.221	C	C	.	.	H	α-helix	trans	-61.6	-34.5	176.5	-69.4	178.3	162.5	0	0	112.6	Y115 F117 E126 R127 L133 K134 R146	Y115-E130 HydrophobicContact CE2-CG 4.32Å; Y115-E130 WeakPolarHBondContact OH-CG 3.04Å; Y115-E130 PolarHBondContact OH-OE1 3.37Å; F117-E130 HydrophobicContact CZ-CG 4.28Å; E126-E130 WeakPolarHBondContact O-CG 3.07Å; E126-E130 PolarHBondContact O-N 2.87Å; R127-E130 PolarHBondContact O-N 3.02Å; E130-L133 PolarHBondContact O-N 2.93Å; E130-K134 WeakPolarHBondContact O-CB 3.25Å; E130-K134 PolarHBondContact O-N 3.16Å; E130-R146 WeakPolarHBondContact OE1-CD 3.28Å; E130-R146 IonicContact OE1-CZ 3.12Å; E130-R146 IonicContact OE1-NE 2.72Å; E130-R146 IonicContact OE1-NH1 3.25Å; E130-R146 PolarHBondContact OE1-NH1 3Å
131	L	96.8	Very high	97.1	Very high	34 Å²	34	45.4 Å²	45.4	18%	0.178	22%	0.216	C	C	.	.	H	α-helix	trans	-64.2	-38.1	172.4	-76.1	170.9	0	0	0	112.4	I13 R127 L128 I129 K134 H135 L188	I13-L131 HydrophobicContact CG2-CD2 3.86Å; R127-L131 VanDerWaalsContact O-CG 3.25Å; R127-L131 WeakPolarHBondContact O-CG 3.03Å; R127-L131 PolarHBondContact O-N 2.81Å; L128-L131 HydrophobicContact CD2-CD1 4.38Å; L128-L131 PolarHBondContact O-N 2.83Å; I129-L131 VanDerWaalsContact C-N 3.28Å; I129-L131 PolarHBondContact O-N 2.98Å; L131-K134 PolarHBondContact O-N 3.11Å; L131-H135 PolarHBondContact O-N 2.98Å; L131-L188 HydrophobicContact CB-CD1 4.05Å
132	A	96.5	Very high	97.2	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-67.2	-41.1	174.2	0	0	0	0	0	111.7	L128 I129 K134 H135 W136 L188 I191	L128-A132 PolarHBondContact O-N 2.6Å; I129-A132 WeakPolarHBondContact O-CB 3.27Å; I129-A132 PolarHBondContact O-N 2.9Å; A132-K134 VanDerWaalsContact C-N 3.35Å; A132-H135 WeakPolarHBondContact O-CB 3.33Å; A132-H135 PolarHBondContact O-N 2.83Å; A132-W136 PolarHBondContact O-N 2.86Å; A132-W136 VanDerWaalsContact O-N 3.13Å; A132-L188 HydrophobicContact CB-CD1 3.87Å; A132-I191 HydrophobicContact CB-CB 3.8Å; A132-I191 HydrophobicContact CB-CG2 3.5Å
133	L	98.4	Very high	97.2	Very high	4 Å²	4	47 Å²	47	2%	0.021	21%	0.212	C	C	.	.	H	α-helix	trans	-60.8	-45.7	172.8	-63.8	-177.3	0	0	0	110.9	Y115 I129 E130 H135 W136 E137 F144 F158 V195	Y115-L133 HydrophobicContact CD1-CD1 3.83Å; Y115-L133 HydrophobicContact CD2-CD1 4.01Å; Y115-L133 HydrophobicContact CE1-CD1 3.68Å; Y115-L133 HydrophobicContact CE2-CD1 3.88Å; Y115-L133 HydrophobicContact CG-CD1 3.98Å; I129-L133 WeakPolarHBondContact O-CG 3.29Å; I129-L133 PolarHBondContact O-N 2.81Å; E130-L133 PolarHBondContact O-N 2.93Å; L133-H135 VanDerWaalsContact C-N 3.25Å; L133-H135 PolarHBondContact O-N 2.77Å; L133-W136 WeakPolarHBondContact O-CB 3.4Å; L133-W136 PolarHBondContact O-N 3.19Å; L133-W136 VanDerWaalsContact O-N 3.1Å; L133-E137 WeakPolarHBondContact O-CG 3.45Å; L133-E137 PolarHBondContact O-N 3.39Å; L133-F144 HydrophobicContact CB-CB 4.41Å; L133-F144 HydrophobicContact CB-CD2 3.9Å; L133-F144 HydrophobicContact CB-CE2 4.36Å; L133-F144 HydrophobicContact CB-CG 4.11Å; L133-F144 HydrophobicContact CD1-CB 4.24Å; L133-F144 HydrophobicContact CD1-CD1 4.38Å; L133-F144 HydrophobicContact CD1-CG 4.25Å; L133-F144 HydrophobicContact CD2-CD1 3.84Å; L133-F144 HydrophobicContact CD2-CD2 4.15Å; L133-F144 HydrophobicContact CD2-CE1 3.76Å; L133-F144 HydrophobicContact CD2-CE2 4.09Å; L133-F144 HydrophobicContact CD2-CG 4.03Å; L133-F144 HydrophobicContact CD2-CZ 3.89Å; L133-F144 HydrophobicContact CG-CG 4.36Å; L133-F158 HydrophobicContact CD1-CE2 4.09Å; L133-F158 HydrophobicContact CD1-CZ 4.31Å; L133-F158 HydrophobicContact CD2-CZ 4.16Å; L133-V195 HydrophobicContact CD2-CG1 3.86Å; L133-V195 HydrophobicContact CD2-CG2 3.8Å
134	K	97.7	Very high	97.3	Very high	46 Å²	46	40 Å²	40	20%	0.2	18%	0.179	C	C	.	.	H	α-helix	trans	-61.9	-35.2	176.9	-169.1	62.1	175.9	-171.9	0	112.1	A16 E130 L131 A132 E137 N138	A16-K134 HydrophobicContact CB-CG 4.06Å; E130-K134 WeakPolarHBondContact O-CB 3.25Å; E130-K134 PolarHBondContact O-N 3.16Å; L131-K134 PolarHBondContact O-N 3.11Å; A132-K134 VanDerWaalsContact C-N 3.35Å; K134-E137 HydrophobicContact CD-CB 4.44Å; K134-E137 VanDerWaalsContact CD-OE2 3.28Å; K134-E137 WeakPolarHBondContact CD-OE2 3.29Å; K134-E137 IonicContact NZ-OE2 2.86Å; K134-E137 PolarHBondContact NZ-OE2 3.05Å; K134-E137 VanDerWaalsContact NZ-OE2 3.12Å; K134-E137 PolarHBondContact O-N 2.81Å; K134-N138 WeakPolarHBondContact O-CB 2.98Å; K134-N138 PolarHBondContact O-N 3.47Å; K134-N138 PolarHBondContact O-ND2 3.24Å
135	H	96.3	Very high	97.4	Very high	41 Å²	41	37 Å²	37	19%	0.19	16%	0.163	C	C	.	.	H	α-helix	trans	-59.8	-48.4	172.9	-175.3	73.4	0	0	0	111.3	L131 A132 L133 E137 N138 V139	L131-H135 PolarHBondContact O-N 2.98Å; A132-H135 WeakPolarHBondContact O-CB 3.33Å; A132-H135 PolarHBondContact O-N 2.83Å; L133-H135 VanDerWaalsContact C-N 3.25Å; L133-H135 PolarHBondContact O-N 2.77Å; H135-E137 PolarHBondContact O-N 3.04Å; H135-N138 PolarHBondContact O-N 2.77Å; H135-V139 WeakPolarHBondContact O-CG2 3.48Å; H135-V139 PolarHBondContact O-N 2.87Å
136	W	97.6	Very high	97.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.1	-43.8	173.1	-83.2	115.5	0	0	0	112.6	A132 L133 N138 V139 T140 F144 A192 V195 A196 L199 F201 L283 M291	A132-W136 PolarHBondContact O-N 2.86Å; A132-W136 VanDerWaalsContact O-N 3.13Å; L133-W136 WeakPolarHBondContact O-CB 3.4Å; L133-W136 PolarHBondContact O-N 3.19Å; L133-W136 VanDerWaalsContact O-N 3.1Å; W136-N138 VanDerWaalsContact C-N 3.28Å; W136-N138 PolarHBondContact O-N 3.43Å; W136-V139 HydrophobicContact CE3-CG2 4.29Å; W136-V139 PolarHBondContact O-N 3.11Å; W136-T140 HydrophobicContact CE3-CG2 3.84Å; W136-T140 HydrophobicContact CZ3-CG2 4.16Å; W136-T140 WeakPolarHBondContact O-CB 3.49Å; W136-T140 PolarHBondContact O-N 3.3Å; W136-T140 PolarHBondContact O-OG1 2.79Å; W136-F144 HydrophobicContact CB-CE2 3.88Å; W136-F144 HydrophobicContact CB-CZ 4.44Å; W136-A192 PolarHBondContact NE1-O 2.8Å; W136-A192 VanDerWaalsContact NE1-O 3.14Å; W136-V195 HydrophobicContact CG-CG1 4.46Å; W136-A196 HydrophobicContact CH2-CB 4.4Å; W136-A196 HydrophobicContact CZ2-CB 3.64Å; W136-L199 HydrophobicContact CD2-CD1 4.06Å; W136-L199 HydrophobicContact CE3-CD1 4.37Å; W136-L199 HydrophobicContact CG-CD1 4.31Å; W136-F201 AromaticContact CH2-CE1 3.95Å; W136-F201 HydrophobicContact CH2-CE1 3.95Å; W136-L283 HydrophobicContact CD2-CD1 3.98Å; W136-L283 HydrophobicContact CE3-CD1 4.05Å; W136-L283 HydrophobicContact CH2-CD1 3.62Å; W136-L283 HydrophobicContact CH2-CD2 3.58Å; W136-L283 HydrophobicContact CH2-CG 4.27Å; W136-L283 HydrophobicContact CZ2-CD1 3.55Å; W136-L283 HydrophobicContact CZ2-CD2 3.33Å; W136-L283 HydrophobicContact CZ2-CG 4.09Å; W136-L283 HydrophobicContact CZ3-CD1 3.87Å; W136-M291 HydrophobicContact CE3-CE 4.39Å; W136-M291 HydrophobicContact CE3-CG 4.23Å; W136-M291 HydrophobicContact CH2-CB 4.48Å; W136-M291 HydrophobicContact CH2-CE 3.54Å; W136-M291 HydrophobicContact CH2-CG 4.48Å; W136-M291 HydrophobicContact CZ2-CE 4.13Å; W136-M291 HydrophobicContact CZ3-CB 3.84Å; W136-M291 HydrophobicContact CZ3-CE 3.69Å; W136-M291 HydrophobicContact CZ3-CG 3.72Å
137	E	97.4	Very high	97.4	Very high	22 Å²	22	41.3 Å²	41.3	10%	0.103	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-37.5	175.4	-64.2	-161.7	137.1	0	0	112.2	L133 K134 H135 V139 R143 F144 K314	L133-E137 WeakPolarHBondContact O-CG 3.45Å; L133-E137 PolarHBondContact O-N 3.39Å; K134-E137 HydrophobicContact CD-CB 4.44Å; K134-E137 VanDerWaalsContact CD-OE2 3.28Å; K134-E137 WeakPolarHBondContact CD-OE2 3.29Å; K134-E137 IonicContact NZ-OE2 2.86Å; K134-E137 PolarHBondContact NZ-OE2 3.05Å; K134-E137 VanDerWaalsContact NZ-OE2 3.12Å; K134-E137 PolarHBondContact O-N 2.81Å; H135-E137 PolarHBondContact O-N 3.04Å; E137-V139 VanDerWaalsContact C-N 3.3Å; E137-V139 PolarHBondContact O-N 3.12Å; E137-R143 VanDerWaalsContact OE1-CA 3.31Å; E137-R143 WeakPolarHBondContact OE1-CA 3.23Å; E137-F144 HydrophobicContact CG-CD2 3.71Å; E137-F144 HydrophobicContact CG-CE2 4.35Å; E137-F144 PolarHBondContact OE1-N 2.89Å; E137-K314 WeakPolarHBondContact O-CE 3.02Å; E137-K314 PolarHBondContact O-NZ 3.17Å
138	N	96.3	Very high	97.4	Very high	52 Å²	52	41.6 Å²	41.6	28%	0.278	18%	0.179	S	C	.	.	H	α-helix	trans	-75.9	-19.5	-176	-76.5	-17.8	0	0	0	113.2	I12 K134 H135 W136	I12-N138 VanDerWaalsContact CG2-ND2 3.31Å; I12-N138 WeakPolarHBondContact CG2-ND2 3.3Å; K134-N138 WeakPolarHBondContact O-CB 2.98Å; K134-N138 PolarHBondContact O-N 3.47Å; K134-N138 PolarHBondContact O-ND2 3.24Å; H135-N138 PolarHBondContact O-N 2.77Å; W136-N138 VanDerWaalsContact C-N 3.28Å; W136-N138 PolarHBondContact O-N 3.43Å
139	V	96.5	Very high	97.3	Very high	8 Å²	8	42 Å²	42	5%	0.048	18%	0.181	C	C	.	.	H	α-helix	trans	-112.6	-2.6	-176.5	-53.3	0	0	0	0	113.3	H135 W136 E137 I288 N292	H135-V139 WeakPolarHBondContact O-CG2 3.48Å; H135-V139 PolarHBondContact O-N 2.87Å; W136-V139 HydrophobicContact CE3-CG2 4.29Å; W136-V139 PolarHBondContact O-N 3.11Å; E137-V139 VanDerWaalsContact C-N 3.3Å; E137-V139 PolarHBondContact O-N 3.12Å; V139-I288 HydrophobicContact CB-CD1 4.16Å; V139-I288 HydrophobicContact CB-CG2 3.74Å; V139-I288 HydrophobicContact CG1-CD1 4.3Å; V139-I288 HydrophobicContact CG2-CD1 4.04Å; V139-I288 HydrophobicContact CG2-CG1 4.08Å; V139-I288 HydrophobicContact CG2-CG2 3.76Å; V139-I288 WeakPolarHBondContact O-CG2 3.28Å; V139-N292 PolarHBondContact O-ND2 2.81Å; V139-N292 PolarHBondContact O-OD1 2.88Å
140	T	97.5	Very high	97	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	-136.8	177.5	177.7	73	0	0	0	0	112.7	W136 L142 M291 N292 K314	W136-T140 HydrophobicContact CE3-CG2 3.84Å; W136-T140 HydrophobicContact CZ3-CG2 4.16Å; W136-T140 WeakPolarHBondContact O-CB 3.49Å; W136-T140 PolarHBondContact O-N 3.3Å; W136-T140 PolarHBondContact O-OG1 2.79Å; T140-L142 VanDerWaalsContact C-N 3.34Å; T140-L142 WeakPolarHBondContact OG1-CB 3.29Å; T140-L142 PolarHBondContact OG1-N 3.36Å; T140-M291 HydrophobicContact CG2-CB 4.19Å; T140-M291 HydrophobicContact CG2-CG 3.83Å; T140-N292 WeakPolarHBondContact CA-OD1 3.37Å; T140-N292 WeakPolarHBondContact CB-OD1 3.36Å; T140-K314 WeakPolarHBondContact O-CD 3.44Å; T140-K314 WeakPolarHBondContact O-CE 3.26Å; T140-K314 PolarHBondContact O-NZ 3.41Å
141	C	96.7	Very high	96.6	Very high	21 Å²	21	46.8 Å²	46.8	14%	0.142	21%	0.21	C	C	.	.	S	Bend	trans	-81.1	-13.6	170.4	62.5	0	0	0	0	113.4	Y295 C296 V299	C141-Y295 PolarHBondContact SG-O 3.37Å; C141-Y295 VanDerWaalsContact SG-O 3.35Å; C141-C296 VanDerWaalsContact CA-SG 3.6Å; C141-C296 HydrophobicContact CB-CB 3.7Å; C141-C296 WeakPolarHBondContact CB-SG 3.02Å; C141-C296 PolarHBondContact N-SG 2.97Å; C141-C296 WeakPolarHBondContact SG-CA 3.43Å; C141-C296 WeakPolarHBondContact SG-CB 3.46Å; C141-C296 CovalentContact SG-SG 2.04Å; C141-C296 PolarHBondContact SG-SG 2.89Å; C141-V299 HydrophobicContact CB-CG2 3.82Å
142	L	97.6	Very high	96.3	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	23%	0.234	C	C	.	.			trans	-63.9	153.4	-178.2	-60.6	174.8	0	0	0	111.4	A109 T140 L199 M291 Y295	A109-L142 HydrophobicContact CB-CD2 4.07Å; T140-L142 VanDerWaalsContact C-N 3.34Å; T140-L142 WeakPolarHBondContact OG1-CB 3.29Å; T140-L142 PolarHBondContact OG1-N 3.36Å; L142-L199 HydrophobicContact CD1-CD1 3.99Å; L142-L199 HydrophobicContact CD1-CD2 3.82Å; L142-L199 HydrophobicContact CD1-CG 4.49Å; L142-M291 HydrophobicContact CD1-CG 4.33Å; L142-M291 HydrophobicContact CD1-SD 4.36Å; L142-Y295 HydrophobicContact CD1-CD2 3.95Å; L142-Y295 HydrophobicContact CD1-CE2 4.26Å; L142-Y295 HydrophobicContact CD1-CG 4.37Å; L142-Y295 HydrophobicContact CD2-CD1 4.1Å; L142-Y295 HydrophobicContact CD2-CD2 4.3Å; L142-Y295 HydrophobicContact CD2-CG 3.9Å; L142-Y295 HydrophobicContact CG-CD2 4.46Å; L142-Y295 HydrophobicContact CG-CG 4.41Å
143	R	97.9	Very high	96.1	Very high	123 Å²	123	55.5 Å²	55.5	46%	0.464	25%	0.251	S	S	.	.			trans	-132.7	146.6	178.2	-65.5	-63.3	-150.1	-161.6	5.4	109.3	P112 I113 E137	P112-R143 CarbonylContact C-O 3.59Å; P112-R143 WeakPolarHBondContact CA-O 3.47Å; P112-R143 HydrophobicContact CB-CB 4.15Å; P112-R143 HydrophobicContact CG-CB 4.34Å; I113-R143 PolarHBondContact N-O 3.25Å; E137-R143 VanDerWaalsContact OE1-CA 3.31Å; E137-R143 WeakPolarHBondContact OE1-CA 3.23Å
144	F	98.4	Very high	95.9	Very high	21 Å²	21	56.6 Å²	56.6	9%	0.092	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	140.5	174.7	-64.2	-85.6	0	0	0	110.1	I113 Y115 L133 W136 E137 V195 L199	I113-F144 HydrophobicContact CB-CD1 3.86Å; I113-F144 HydrophobicContact CB-CE1 4.05Å; I113-F144 HydrophobicContact CD1-CE1 4.01Å; I113-F144 HydrophobicContact CD1-CZ 4.41Å; I113-F144 HydrophobicContact CG2-CD1 4.1Å; I113-F144 HydrophobicContact CG2-CE1 4.12Å; I113-F144 WeakPolarHBondContact O-CA 3.5Å; Y115-F144 HydrophobicContact CD1-CB 3.91Å; Y115-F144 HydrophobicContact CE1-CB 3.85Å; L133-F144 HydrophobicContact CB-CB 4.41Å; L133-F144 HydrophobicContact CB-CD2 3.9Å; L133-F144 HydrophobicContact CB-CE2 4.36Å; L133-F144 HydrophobicContact CB-CG 4.11Å; L133-F144 HydrophobicContact CD1-CB 4.24Å; L133-F144 HydrophobicContact CD1-CD1 4.38Å; L133-F144 HydrophobicContact CD1-CG 4.25Å; L133-F144 HydrophobicContact CD2-CD1 3.84Å; L133-F144 HydrophobicContact CD2-CD2 4.15Å; L133-F144 HydrophobicContact CD2-CE1 3.76Å; L133-F144 HydrophobicContact CD2-CE2 4.09Å; L133-F144 HydrophobicContact CD2-CG 4.03Å; L133-F144 HydrophobicContact CD2-CZ 3.89Å; L133-F144 HydrophobicContact CG-CG 4.36Å; W136-F144 HydrophobicContact CB-CE2 3.88Å; W136-F144 HydrophobicContact CB-CZ 4.44Å; E137-F144 HydrophobicContact CG-CD2 3.71Å; E137-F144 HydrophobicContact CG-CE2 4.35Å; E137-F144 PolarHBondContact OE1-N 2.89Å; F144-V195 HydrophobicContact CZ-CG1 4.14Å; F144-L199 HydrophobicContact CE1-CD2 4.43Å; F144-L199 HydrophobicContact CZ-CD1 4.35Å; F144-L199 HydrophobicContact CZ-CD2 4.18Å
145	R	97.8	Very high	95.8	Very high	103 Å²	103	54.6 Å²	54.6	39%	0.389	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	119.3	178.9	-178.3	173.6	63.6	-170.9	-1.6	110.4	P112 I113 D114 Y115	P112-R145 HydrophobicContact CB-CB 3.73Å; I113-R145 PolarHBondContact O-N 3.32Å; D114-R145 WeakPolarHBondContact CA-O 3.35Å; D114-R145 VanDerWaalsContact CG-NH2 3.3Å; D114-R145 IonicContact OD1-CZ 2.7Å; D114-R145 IonicContact OD1-NE 3.22Å; D114-R145 PolarHBondContact OD1-NE 3.46Å; D114-R145 IonicContact OD1-NH2 3.2Å; D114-R145 PolarHBondContact OD1-NH2 3.05Å; D114-R145 IonicContact OD2-CZ 3.96Å; D114-R145 IonicContact OD2-NH2 2.93Å; D114-R145 PolarHBondContact OD2-NH2 3.15Å; Y115-R145 WeakPolarHBondContact CD1-O 3.45Å; Y115-R145 VanDerWaalsContact CE1-C 3.48Å; Y115-R145 PolarHBondContact N-O 2.84Å
146	R	98.2	Very high	95.8	Very high	64 Å²	64	52.7 Å²	52.7	24%	0.242	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	136.2	175.6	-168.3	161.9	174.6	178.2	-1.2	110.5	Y115 E126 E130 Y148	Y115-R146 HydrophobicContact CE1-CB 3.97Å; Y115-R146 VanDerWaalsContact CE1-N 3.32Å; Y115-R146 HydrophobicContact CE2-CB 4.11Å; Y115-R146 HydrophobicContact CE2-CG 4Å; Y115-R146 CarbonylContact O-C 3.11Å; Y115-R146 WeakPolarHBondContact O-CA 3.31Å; Y115-R146 WeakPolarHBondContact OH-CB 3.37Å; E126-R146 VanDerWaalsContact CD-NH2 3.34Å; E126-R146 IonicContact OE1-NH2 3.66Å; E126-R146 PolarHBondContact OE1-NH2 2.95Å; E126-R146 IonicContact OE2-CZ 3.43Å; E126-R146 IonicContact OE2-NH1 3.49Å; E126-R146 PolarHBondContact OE2-NH1 2.92Å; E126-R146 IonicContact OE2-NH2 2.73Å; E126-R146 PolarHBondContact OE2-NH2 2.71Å; E130-R146 WeakPolarHBondContact OE1-CD 3.28Å; E130-R146 IonicContact OE1-CZ 3.12Å; E130-R146 IonicContact OE1-NE 2.72Å; E130-R146 IonicContact OE1-NH1 3.25Å; E130-R146 PolarHBondContact OE1-NH1 3Å; R146-Y148 WeakPolarHBondContact CD-OH 3.44Å; R146-Y148 HydrophobicContact CG-CE1 4.4Å; R146-Y148 HydrophobicContact CG-CE2 4.11Å; R146-Y148 PolarHBondContact NE-OH 3.02Å
147	R	97.6	Very high	95.8	Very high	82 Å²	82	53 Å²	53	31%	0.309	24%	0.241	S	C	.	.			trans	-124.5	139.3	178.3	-65.5	-58.7	-64.6	-162	-8.2	109.4	D114 Y115 S116 D149 R155	D114-R147 HydrophobicContact CB-CG 3.86Å; Y115-R147 WeakPolarHBondContact O-CB 3.38Å; Y115-R147 PolarHBondContact O-N 3.45Å; S116-R147 VanDerWaalsContact CB-O 3.27Å; S116-R147 WeakPolarHBondContact CB-O 3.36Å; R147-D149 WeakPolarHBondContact CB-OD1 3.35Å; R147-D149 IonicContact CZ-OD1 3.5Å; R147-D149 IonicContact CZ-OD2 3.63Å; R147-D149 IonicContact NE-OD1 2.86Å; R147-D149 PolarHBondContact NE-OD1 2.04Å; R147-D149 IonicContact NE-OD2 3.62Å; R147-D149 VanDerWaalsContact NH2-CG 3.34Å; R147-D149 IonicContact NH2-OD1 3.38Å; R147-D149 PolarHBondContact NH2-OD1 3.29Å; R147-D149 IonicContact NH2-OD2 2.79Å; R147-D149 PolarHBondContact NH2-OD2 2.97Å; R147-R155 VanDerWaalsContact CB-CZ 3.46Å
148	Y	95.8	Very high	95.9	Very high	141 Å²	141	51.9 Å²	51.9	55%	0.553	24%	0.236	S	C	*	.			trans	-115.6	-11.1	178.9	-59.7	-84.9	0	0	0	112	R146	R146-Y148 WeakPolarHBondContact CD-OH 3.44Å; R146-Y148 HydrophobicContact CG-CE1 4.4Å; R146-Y148 HydrophobicContact CG-CE2 4.11Å; R146-Y148 PolarHBondContact NE-OH 3.02Å
149	D	95	Very high	95.9	Very high	65 Å²	65	49.8 Å²	49.8	35%	0.348	23%	0.225	S	C	.	.	S	Bend	trans	-74.1	160.4	174.7	58.5	-39.5	0	0	0	111.4	R147 R155	R147-D149 WeakPolarHBondContact CB-OD1 3.35Å; R147-D149 IonicContact CZ-OD1 3.5Å; R147-D149 IonicContact CZ-OD2 3.63Å; R147-D149 IonicContact NE-OD1 2.86Å; R147-D149 PolarHBondContact NE-OD1 2.04Å; R147-D149 IonicContact NE-OD2 3.62Å; R147-D149 VanDerWaalsContact NH2-CG 3.34Å; R147-D149 IonicContact NH2-OD1 3.38Å; R147-D149 PolarHBondContact NH2-OD1 3.29Å; R147-D149 IonicContact NH2-OD2 2.79Å; R147-D149 PolarHBondContact NH2-OD2 2.97Å; D149-R155 PolarHBondContact O-NH1 2.89Å; D149-R155 IonicContact OD1-CZ 3.52Å; D149-R155 IonicContact OD1-NH1 2.86Å; D149-R155 PolarHBondContact OD1-NH1 3.45Å; D149-R155 IonicContact OD1-NH2 3.04Å; D149-R155 PolarHBondContact OD1-NH2 3.46Å; D149-R155 IonicContact OD2-NH2 3.09Å; D149-R155 PolarHBondContact OD2-NH2 3.33Å; D149-R155 VanDerWaalsContact OD2-NH2 3.09Å
150	M	92.3	Very high	95.8	Very high	99 Å²	99	53 Å²	53	49%	0.488	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-48.1	131.8	175.8	-176.2	179.1	-87.8	0	0	111.2	E45 R152	E45-M150 VanDerWaalsContact OE2-CE 3.29Å; E45-M150 WeakPolarHBondContact OE2-CE 3.48Å; M150-R152 PolarHBondContact O-N 2.85Å
151	P	91	Very high	95.4	Very high	56 Å²	56	57.8 Å²	57.8	36%	0.364	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-58.4	122.7	-177.6	-24.6	33.7	0	0	0	112.8	I157 P176	P151-I157 HydrophobicContact CB-CD1 3.56Å; P151-I157 HydrophobicContact CB-CG1 4.2Å; P151-I157 HydrophobicContact CG-CD1 3.78Å; P151-I157 HydrophobicContact CG-CG1 4.35Å; P151-P176 HydrophobicContact CB-CB 4.39Å; P151-P176 HydrophobicContact CB-CG 3.96Å
152	R	90.7	Very high	94.8	Very high	181 Å²	181	60.3 Å²	60.3	68%	0.683	28%	0.283	S	S	*	.			trans	-145.7	151.4	177.1	-67	-178	-179.4	176.2	-0.5	109.6	M150	M150-R152 PolarHBondContact O-N 2.85Å
153	G	91.9	Very high	94.5	Very high	35 Å²	35	61.1 Å²	61.1	36%	0.361	29%	0.292	S	S	.	.	S	Bend	trans	70.3	-171	178.7	0	0	0	0	0	112.5	R155 Q174 E175 P176	G153-R155 PolarHBondContact O-N 3.32Å; G153-Q174 CarbonylContact C-O 3.57Å; G153-Q174 WeakPolarHBondContact CA-O 3.02Å; G153-E175 CarbonylContact O-C 3.05Å; G153-P176 WeakPolarHBondContact O-CD 3.47Å
154	N	93.1	Very high	94.2	Very high	27 Å²	27	55.9 Å²	55.9	14%	0.144	27%	0.274	C	S	.	.	S	Bend	trans	-66	103.5	169.6	-67.9	106.6	0	0	0	111.2	W107 R170 N171 Q174	W107-N154 HydrophobicContact CH2-CB 4.2Å; W107-N154 HydrophobicContact CZ3-CB 3.8Å; N154-R170 HydrophobicContact CB-CG 4.34Å; N154-R170 WeakPolarHBondContact ND2-CG 3.49Å; N154-R170 PolarHBondContact ND2-NE 2.86Å; N154-R170 PolarHBondContact OD1-NE 3.21Å; N154-R170 PolarHBondContact OD1-NH2 3.07Å; N154-N171 PolarHBondContact ND2-O 3.36Å; N154-Q174 PolarHBondContact N-O 2.81Å; N154-Q174 VanDerWaalsContact OD1-CA 3.31Å; N154-Q174 WeakPolarHBondContact OD1-CA 3.32Å
155	R	95.6	Very high	93.9	Very high	5 Å²	5	55 Å²	55	2%	0.019	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	138.7	179.9	-174.8	177.1	-64.4	-171.7	-1.7	109.3	D114 S116 R147 D149 G153 P176 Q177	D114-R155 HydrophobicContact CB-CB 4.49Å; D114-R155 HydrophobicContact CB-CG 4.17Å; D114-R155 WeakPolarHBondContact O-CA 3.03Å; D114-R155 WeakPolarHBondContact O-CG 2.98Å; S116-R155 VanDerWaalsContact OG-CD 3.3Å; S116-R155 WeakPolarHBondContact OG-CD 3.46Å; R147-R155 VanDerWaalsContact CB-CZ 3.46Å; D149-R155 PolarHBondContact O-NH1 2.89Å; D149-R155 IonicContact OD1-CZ 3.52Å; D149-R155 IonicContact OD1-NH1 2.86Å; D149-R155 PolarHBondContact OD1-NH1 3.45Å; D149-R155 IonicContact OD1-NH2 3.04Å; D149-R155 PolarHBondContact OD1-NH2 3.46Å; D149-R155 IonicContact OD2-NH2 3.09Å; D149-R155 PolarHBondContact OD2-NH2 3.33Å; D149-R155 VanDerWaalsContact OD2-NH2 3.09Å; G153-R155 PolarHBondContact O-N 3.32Å; R155-P176 HydrophobicContact CB-CB 4.46Å; R155-P176 CarbonylContact O-C 3.6Å; R155-P176 VanDerWaalsContact O-CA 3.29Å; R155-P176 WeakPolarHBondContact O-CA 3.03Å; R155-Q177 PolarHBondContact O-N 3.35Å
156	I	97.8	Very high	93.7	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	122	169.3	-64.4	174.1	0	0	0	108.3	W107 I113 D114 Y115 S116 F158 Q177 V179 A198	W107-I156 HydrophobicContact CH2-CD1 4.45Å; W107-I156 HydrophobicContact CH2-CG1 3.99Å; W107-I156 HydrophobicContact CZ2-CD1 4Å; W107-I156 HydrophobicContact CZ2-CG1 3.86Å; I113-I156 HydrophobicContact CG2-CD1 3.82Å; I113-I156 HydrophobicContact CG2-CG1 4.28Å; D114-I156 PolarHBondContact O-N 2.82Å; Y115-I156 CarbonylContact C-O 3.57Å; Y115-I156 WeakPolarHBondContact CA-O 3.32Å; Y115-I156 WeakPolarHBondContact CB-O 3.3Å; S116-I156 PolarHBondContact N-O 3.42Å; I156-F158 HydrophobicContact CG2-CD2 4.35Å; I156-F158 HydrophobicContact CG2-CE1 4.3Å; I156-F158 HydrophobicContact CG2-CE2 3.93Å; I156-F158 HydrophobicContact CG2-CZ 3.9Å; I156-Q177 CarbonylContact C-O 3.57Å; I156-Q177 HydrophobicContact CG1-CG 4.28Å; I156-V179 HydrophobicContact CG2-CB 4.15Å; I156-V179 HydrophobicContact CG2-CG2 3.6Å; I156-A198 HydrophobicContact CD1-CB 3.83Å; I156-A198 HydrophobicContact CG1-CB 4.47Å
157	I	97.7	Very high	93.3	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	117.9	173.9	-55.4	173.9	0	0	0	108.2	S116 D118 P151 P176 Q177 Y178 V179	S116-I157 WeakPolarHBondContact O-CA 3.25Å; D118-I157 HydrophobicContact CB-CG2 4.12Å; P151-I157 HydrophobicContact CB-CD1 3.56Å; P151-I157 HydrophobicContact CB-CG1 4.2Å; P151-I157 HydrophobicContact CG-CD1 3.78Å; P151-I157 HydrophobicContact CG-CG1 4.35Å; I157-P176 HydrophobicContact CD1-CB 3.49Å; I157-P176 VanDerWaalsContact CD1-CB 3.49Å; I157-P176 HydrophobicContact CD1-CG 4.31Å; I157-P176 HydrophobicContact CG1-CB 4Å; I157-Q177 PolarHBondContact N-O 3.05Å; I157-Y178 HydrophobicContact CB-CD1 3.76Å; I157-Y178 HydrophobicContact CB-CE1 3.86Å; I157-Y178 HydrophobicContact CD1-CD1 4.42Å; I157-Y178 HydrophobicContact CD1-CE1 3.74Å; I157-Y178 HydrophobicContact CG1-CE1 4.41Å; I157-Y178 HydrophobicContact CG2-CD1 3.93Å; I157-Y178 HydrophobicContact CG2-CE1 3.82Å; I157-Y178 WeakPolarHBondContact O-CA 3.34Å; I157-V179 PolarHBondContact O-N 2.89Å
158	F	98.2	Very high	92.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	131.4	171.5	-67.7	-77.1	0	0	0	110.1	Y115 S116 F117 D118 I129 L133 I156 V179 L181 V195	Y115-F158 AromaticContact CD2-CD2 3.93Å; Y115-F158 HydrophobicContact CD2-CD2 3.93Å; Y115-F158 AromaticContact CD2-CE2 3.74Å; Y115-F158 HydrophobicContact CD2-CE2 3.74Å; Y115-F158 HydrophobicContact CG-CE2 4.06Å; S116-F158 PolarHBondContact O-N 3.47Å; F117-F158 HydrophobicContact CD1-CB 3.56Å; F117-F158 HydrophobicContact CD1-CD2 4.35Å; F117-F158 HydrophobicContact CD1-CG 4.29Å; F117-F158 HydrophobicContact CE1-CB 3.78Å; F117-F158 AromaticContact CE1-CD2 3.96Å; F117-F158 HydrophobicContact CE1-CD2 3.96Å; F117-F158 HydrophobicContact CE1-CG 4.04Å; F117-F158 HydrophobicContact CZ-CD2 4.4Å; D118-F158 PolarHBondContact N-O 3.42Å; D118-F158 VanDerWaalsContact N-O 3.14Å; I129-F158 HydrophobicContact CD1-CB 4.49Å; I129-F158 HydrophobicContact CD1-CD1 4.44Å; I129-F158 HydrophobicContact CG2-CD1 3.83Å; I129-F158 HydrophobicContact CG2-CD2 3.96Å; I129-F158 HydrophobicContact CG2-CE1 3.63Å; I129-F158 HydrophobicContact CG2-CE2 3.79Å; I129-F158 HydrophobicContact CG2-CG 3.98Å; I129-F158 HydrophobicContact CG2-CZ 3.62Å; L133-F158 HydrophobicContact CD1-CE2 4.09Å; L133-F158 HydrophobicContact CD1-CZ 4.31Å; L133-F158 HydrophobicContact CD2-CZ 4.16Å; I156-F158 HydrophobicContact CG2-CD2 4.35Å; I156-F158 HydrophobicContact CG2-CE1 4.3Å; I156-F158 HydrophobicContact CG2-CE2 3.93Å; I156-F158 HydrophobicContact CG2-CZ 3.9Å; F158-V179 WeakPolarHBondContact CA-O 3.42Å; F158-V179 HydrophobicContact CD1-CB 3.76Å; F158-V179 HydrophobicContact CD1-CG1 3.8Å; F158-V179 HydrophobicContact CE1-CB 3.78Å; F158-V179 HydrophobicContact CE1-CG1 3.64Å; F158-V179 HydrophobicContact CE1-CG2 4.38Å; F158-L181 HydrophobicContact CD1-CD1 3.68Å; F158-L181 HydrophobicContact CE1-CD1 3.98Å; F158-V195 HydrophobicContact CE1-CG2 4.14Å; F158-V195 HydrophobicContact CZ-CG2 4.11Å
159	T	96.8	Very high	92.7	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.043	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	169.4	-178.6	-173.5	0	0	0	0	111.2	D118 H121 V161 Y178 V179 S180 L181	D118-T159 WeakPolarHBondContact OD2-CB 3.35Å; D118-T159 PolarHBondContact OD2-OG1 3.03Å; H121-T159 PolarHBondContact CE1-N 2.92Å; H121-T159 PolarHBondContact CE1-O 3.39Å; H121-T159 PolarHBondContact NE2-O 3.08Å; T159-V161 HydrophobicContact CG2-CB 4.45Å; T159-V161 VanDerWaalsContact OG1-CG2 3.28Å; T159-V161 WeakPolarHBondContact OG1-CG2 2.96Å; T159-Y178 HydrophobicContact CG2-CD1 4.15Å; T159-V179 PolarHBondContact N-O 3.3Å; T159-S180 CarbonylContact O-C 3.57Å; T159-S180 WeakPolarHBondContact O-CA 3.4Å; T159-L181 PolarHBondContact O-N 3.36Å
160	D	94.7	Very high	92.6	Very high	76 Å²	76	36.5 Å²	36.5	41%	0.406	20%	0.196	S	C	.	.	S	Bend	trans	-113.1	11	176	80.7	-19.3	0	0	0	113.9	S120 S182	S120-D160 VanDerWaalsContact CB-CG 3.44Å; S120-D160 VanDerWaalsContact CB-OD1 3.23Å; S120-D160 WeakPolarHBondContact CB-OD1 3.37Å; S120-D160 PolarHBondContact OG-N 3.23Å; S120-D160 VanDerWaalsContact OG-N 3.13Å; D160-S182 PolarHBondContact O-OG 3.13Å
161	V	89.5	Confident	92.5	Very high	100 Å²	100	32.4 Å²	32.4	61%	0.606	18%	0.176	S	C	*	.	S	Bend	trans	-67.6	-39.6	-165.4	168.6	0	0	0	0	114.6	T159	T159-V161 HydrophobicContact CG2-CB 4.45Å; T159-V161 VanDerWaalsContact OG1-CG2 3.28Å; T159-V161 WeakPolarHBondContact OG1-CG2 2.96Å
162	D	84.3	Confident	92.3	Very high	75 Å²	75	32 Å²	32	40%	0.401	17%	0.173	S	C	.	.	S	Bend	trans	-138.1	88.3	-171.2	-170.9	21.3	0	0	0	112.6	S180	D162-S180 WeakPolarHBondContact CA-OG 3.23Å; D162-S180 PolarHBondContact N-OG 2.87Å; D162-S180 WeakPolarHBondContact O-CB 3Å; D162-S180 PolarHBondContact O-OG 3.17Å
163	G	89.6	Confident	92.1	Very high	18 Å²	18	27.4 Å²	27.4	19%	0.186	16%	0.161	C	C	.	.	S	Bend	trans	51.1	-141.9	171.6	0	0	0	0	0	114.3	S180 S182 C185	G163-S180 CarbonylContact O-C 3.57Å; G163-S180 PolarHBondContact O-OG 2.91Å; G163-S182 VanDerWaalsContact CA-OG 3.29Å; G163-S182 WeakPolarHBondContact CA-OG 3.15Å; G163-S182 PolarHBondContact N-OG 3.39Å; G163-S182 VanDerWaalsContact N-OG 3.17Å; G163-S182 WeakPolarHBondContact O-CB 3.32Å; G163-S182 PolarHBondContact O-N 3.03Å; G163-S182 PolarHBondContact O-OG 2.85Å; G163-C185 VanDerWaalsContact C-SG 3.58Å; G163-C185 PolarHBondContact O-SG 2.92Å
164	C	92.3	Very high	91.8	Very high	13 Å²	13	32 Å²	32	9%	0.088	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	109.6	165.3	-41.8	0	0	0	0	106.7	D72 S180 C185 V190 E194	D72-C164 WeakPolarHBondContact CA-O 3.27Å; D72-C164 WeakPolarHBondContact CB-O 3.32Å; C164-S180 WeakPolarHBondContact CA-O 3.39Å; C164-C185 WeakPolarHBondContact CA-SG 3.48Å; C164-C185 HydrophobicContact CB-CB 4Å; C164-C185 WeakPolarHBondContact CB-SG 3.47Å; C164-C185 PolarHBondContact N-SG 2.95Å; C164-C185 VanDerWaalsContact N-SG 3.4Å; C164-C185 WeakPolarHBondContact SG-CB 3.09Å; C164-C185 CovalentContact SG-SG 2.02Å; C164-C185 PolarHBondContact SG-SG 3.46Å; C164-V190 HydrophobicContact CB-CG1 4.33Å; C164-E194 HydrophobicContact CB-CG 4.34Å
165	A	92.1	Very high	91.7	Very high	2 Å²	2	35.5 Å²	35.5	2%	0.017	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	153.4	-176.5	0	0	0	0	0	113.1	D72 V74 V179 S180 E194	D72-A165 CarbonylContact O-C 3.58Å; D72-A165 WeakPolarHBondContact O-CA 3.4Å; D72-A165 WeakPolarHBondContact O-CB 3.44Å; V74-A165 HydrophobicContact CG2-CB 3.95Å; A165-V179 CarbonylContact O-C 3.5Å; A165-V179 WeakPolarHBondContact O-CA 3.44Å; A165-S180 PolarHBondContact N-O 3.04Å; A165-S180 PolarHBondContact O-N 3.08Å; A165-E194 WeakPolarHBondContact CA-OE2 3.4Å
166	S	92.7	Very high	91.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	147	178.9	178.7	0	0	0	0	111.9	D72 V74 E194 A198	D72-S166 PolarHBondContact O-N 3.23Å; V74-S166 PolarHBondContact N-O 2.86Å; V74-S166 VanDerWaalsContact N-O 3.15Å; S166-E194 WeakPolarHBondContact CB-O 3.49Å; S166-E194 PolarHBondContact OG-O 3.15Å; S166-A198 PolarHBondContact OG-N 3.05Å
167	N	89.7	Confident	91.5	Very high	17 Å²	17	37 Å²	37	9%	0.091	20%	0.199	C	C	.	.			trans	-67.4	150.1	160.3	-61.6	104.4	0	0	0	110.4	V74 Q177 Y178 H197 A198	V74-N167 PolarHBondContact O-ND2 2.01Å; N167-Q177 HydrophobicContact CB-CB 4.42Å; N167-Y178 PolarHBondContact N-O 3.03Å; N167-Y178 PolarHBondContact OD1-N 3.3Å; N167-Y178 PolarHBondContact OD1-O 2.78Å; N167-H197 CarbonylContact O-C 3.56Å; N167-A198 VanDerWaalsContact O-CA 3.3Å; N167-A198 WeakPolarHBondContact O-CA 3.2Å; N167-A198 PolarHBondContact O-N 3.31Å
168	V	90.2	Very high	91.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-93.9	116.8	-179.6	179.3	0	0	0	0	110.9	I73 I100 R105 H197 W202	I73-V168 HydrophobicContact CB-CG2 4.44Å; I73-V168 HydrophobicContact CD1-CG2 4.06Å; I73-V168 HydrophobicContact CG1-CG2 3.88Å; I73-V168 HydrophobicContact CG2-CG2 3.84Å; I100-V168 HydrophobicContact CD1-CB 4.4Å; I100-V168 HydrophobicContact CD1-CG1 3.55Å; I100-V168 VanDerWaalsContact CD1-O 3.27Å; I100-V168 WeakPolarHBondContact CD1-O 3.45Å; I100-V168 HydrophobicContact CG1-CG1 3.68Å; R105-V168 PolarHBondContact NH2-O 2.83Å; V168-H197 CarbonylContact C-O 3.49Å; V168-H197 VanDerWaalsContact CA-O 3.31Å; V168-H197 WeakPolarHBondContact CA-O 3.44Å; V168-H197 HydrophobicContact CG2-CB 4.28Å; V168-W202 HydrophobicContact CB-CE3 4.42Å; V168-W202 HydrophobicContact CB-CH2 4.06Å; V168-W202 HydrophobicContact CB-CZ2 4.3Å; V168-W202 HydrophobicContact CB-CZ3 4.13Å; V168-W202 HydrophobicContact CG1-CD2 3.84Å; V168-W202 HydrophobicContact CG1-CE3 4.04Å; V168-W202 HydrophobicContact CG1-CG 4.44Å; V168-W202 HydrophobicContact CG1-CH2 4.06Å; V168-W202 HydrophobicContact CG1-CZ2 3.85Å; V168-W202 HydrophobicContact CG1-CZ3 4.16Å; V168-W202 HydrophobicContact CG2-CE3 4.05Å; V168-W202 HydrophobicContact CG2-CH2 4.3Å; V168-W202 HydrophobicContact CG2-CZ3 3.87Å
169	G	92.1	Very high	91.3	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	72.2	-177.4	-179.7	0	0	0	0	0	114.9	I100 Q177 H197 A198	I100-G169 VanDerWaalsContact CD1-CA 3.44Å; G169-Q177 PolarHBondContact O-NE2 2.77Å; G169-Q177 PolarHBondContact O-OE1 3.3Å; G169-H197 PolarHBondContact N-O 2.84Å; G169-A198 CarbonylContact C-O 3.48Å; G169-A198 VanDerWaalsContact C-O 3.23Å; G169-A198 WeakPolarHBondContact CA-O 3.05Å; G169-A198 PolarHBondContact N-O 2.87Å
170	R	93.1	Very high	91.3	Very high	50 Å²	50	42.8 Å²	42.8	19%	0.189	22%	0.221	C	C	.	.			trans	-68.8	133.7	178.9	-179	179.8	163.1	-87.8	-0.2	111.3	S104 R105 H106 W107 N154	S104-R170 PolarHBondContact O-NH1 3.14Å; S104-R170 VanDerWaalsContact O-NH1 3.15Å; R105-R170 VanDerWaalsContact CD-O 3.32Å; R105-R170 WeakPolarHBondContact CD-O 3.45Å; R105-R170 PolarHBondContact NE-O 2.93Å; R105-R170 VanDerWaalsContact NE-O 3.08Å; R105-R170 WeakPolarHBondContact O-CB 3.5Å; R105-R170 PolarHBondContact O-N 3.37Å; H106-R170 WeakPolarHBondContact O-CD 3.31Å; W107-R170 HydrophobicContact CD2-CB 3.87Å; W107-R170 HydrophobicContact CD2-CG 4.11Å; W107-R170 HydrophobicContact CE3-CB 4.36Å; W107-R170 HydrophobicContact CE3-CG 4.08Å; W107-R170 HydrophobicContact CG-CB 4.18Å; W107-R170 HydrophobicContact CH2-CG 4.28Å; W107-R170 HydrophobicContact CZ2-CB 4.11Å; W107-R170 HydrophobicContact CZ2-CG 4.29Å; W107-R170 HydrophobicContact CZ3-CG 4.18Å; N154-R170 HydrophobicContact CB-CG 4.34Å; N154-R170 WeakPolarHBondContact ND2-CG 3.49Å; N154-R170 PolarHBondContact ND2-NE 2.86Å; N154-R170 PolarHBondContact OD1-NE 3.21Å; N154-R170 PolarHBondContact OD1-NH2 3.07Å
171	N	90	Very high	91.4	Very high	12 Å²	12	39.1 Å²	39.1	6%	0.064	20%	0.202	C	C	.	.			trans	-61.3	120.4	172.8	-173.9	-17.7	0	0	0	111.4	N154 M173 Q174 Q177	N154-N171 PolarHBondContact ND2-O 3.36Å; N171-M173 VanDerWaalsContact C-N 3.3Å; N171-M173 PolarHBondContact O-N 2.93Å; N171-M173 PolarHBondContact OD1-N 2.81Å; N171-Q174 PolarHBondContact O-N 3.42Å; N171-Q177 HydrophobicContact CB-CB 4.44Å
172	P	85.9	Confident	91.6	Very high	47 Å²	47	35.8 Å²	35.8	31%	0.305	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-26.3	-177.1	28.3	-35.1	0	0	0	113.4	Q174	P172-Q174 PolarHBondContact O-N 2.83Å
173	M	85.8	Confident	92	Very high	86 Å²	86	38.4 Å²	38.4	42%	0.424	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	2.9	-179	-64.6	-167.3	-69	0	0	114.2	E78 N171 E175	E78-M173 VanDerWaalsContact OE1-SD 3.4Å; N171-M173 VanDerWaalsContact C-N 3.3Å; N171-M173 PolarHBondContact O-N 2.93Å; N171-M173 PolarHBondContact OD1-N 2.81Å; M173-E175 HydrophobicContact CB-CG 4.18Å; M173-E175 PolarHBondContact O-N 2.77Å
174	Q	85.8	Confident	92	Very high	131 Å²	131	42.5 Å²	42.5	61%	0.612	21%	0.214	S	C	*	.	S	Bend	trans	61.3	28.5	-175.1	-47.4	-173.1	4.4	0	0	114.3	G153 N154 N171 P172	G153-Q174 CarbonylContact C-O 3.57Å; G153-Q174 WeakPolarHBondContact CA-O 3.02Å; N154-Q174 PolarHBondContact N-O 2.81Å; N154-Q174 VanDerWaalsContact OD1-CA 3.31Å; N154-Q174 WeakPolarHBondContact OD1-CA 3.32Å; N171-Q174 PolarHBondContact O-N 3.42Å; P172-Q174 PolarHBondContact O-N 2.83Å
175	E	91.2	Very high	92	Very high	100 Å²	100	42 Å²	42	47%	0.467	21%	0.21	S	C	.	.			trans	-102.6	162.6	176.3	-65.1	-179.4	163.5	0	0	111.6	G153 M173	G153-E175 CarbonylContact O-C 3.05Å; M173-E175 HydrophobicContact CB-CG 4.18Å; M173-E175 PolarHBondContact O-N 2.77Å
176	P	94.4	Very high	92.1	Very high	35 Å²	35	43.2 Å²	43.2	23%	0.227	22%	0.216	C	C	.	.			trans	-60.5	153.7	171	-21.3	33.1	0	0	0	111.9	P151 G153 R155 I157	P151-P176 HydrophobicContact CB-CB 4.39Å; P151-P176 HydrophobicContact CB-CG 3.96Å; G153-P176 WeakPolarHBondContact O-CD 3.47Å; R155-P176 HydrophobicContact CB-CB 4.46Å; R155-P176 CarbonylContact O-C 3.6Å; R155-P176 VanDerWaalsContact O-CA 3.29Å; R155-P176 WeakPolarHBondContact O-CA 3.03Å; I157-P176 HydrophobicContact CD1-CB 3.49Å; I157-P176 VanDerWaalsContact CD1-CB 3.49Å; I157-P176 HydrophobicContact CD1-CG 4.31Å; I157-P176 HydrophobicContact CG1-CB 4Å
177	Q	94.4	Very high	92	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.019	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	157.8	175.1	65.8	-171.6	74.2	0	0	109.5	R155 I156 I157 N167 G169 N171	R155-Q177 PolarHBondContact O-N 3.35Å; I156-Q177 CarbonylContact C-O 3.57Å; I156-Q177 HydrophobicContact CG1-CG 4.28Å; I157-Q177 PolarHBondContact N-O 3.05Å; N167-Q177 HydrophobicContact CB-CB 4.42Å; G169-Q177 PolarHBondContact O-NE2 2.77Å; G169-Q177 PolarHBondContact O-OE1 3.3Å; N171-Q177 HydrophobicContact CB-CB 4.44Å
178	Y	94.9	Very high	92.2	Very high	124 Å²	124	50.7 Å²	50.7	49%	0.486	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143.4	-171.8	-63.1	-88.4	0	0	0	111.9	I157 T159 N167	I157-Y178 HydrophobicContact CB-CD1 3.76Å; I157-Y178 HydrophobicContact CB-CE1 3.86Å; I157-Y178 HydrophobicContact CD1-CD1 4.42Å; I157-Y178 HydrophobicContact CD1-CE1 3.74Å; I157-Y178 HydrophobicContact CG1-CE1 4.41Å; I157-Y178 HydrophobicContact CG2-CD1 3.93Å; I157-Y178 HydrophobicContact CG2-CE1 3.82Å; I157-Y178 WeakPolarHBondContact O-CA 3.34Å; T159-Y178 HydrophobicContact CG2-CD1 4.15Å; N167-Y178 PolarHBondContact N-O 3.03Å; N167-Y178 PolarHBondContact OD1-N 3.3Å; N167-Y178 PolarHBondContact OD1-O 2.78Å
179	V	97.3	Very high	92.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	106.9	163.4	175.9	0	0	0	0	106.6	I156 I157 F158 T159 A165 L181 E194 A198	I156-V179 HydrophobicContact CG2-CB 4.15Å; I156-V179 HydrophobicContact CG2-CG2 3.6Å; I157-V179 PolarHBondContact O-N 2.89Å; F158-V179 WeakPolarHBondContact CA-O 3.42Å; F158-V179 HydrophobicContact CD1-CB 3.76Å; F158-V179 HydrophobicContact CD1-CG1 3.8Å; F158-V179 HydrophobicContact CE1-CB 3.78Å; F158-V179 HydrophobicContact CE1-CG1 3.64Å; F158-V179 HydrophobicContact CE1-CG2 4.38Å; T159-V179 PolarHBondContact N-O 3.3Å; A165-V179 CarbonylContact O-C 3.5Å; A165-V179 WeakPolarHBondContact O-CA 3.44Å; V179-L181 HydrophobicContact CG1-CD1 4.17Å; V179-L181 HydrophobicContact CG1-CG 4.07Å; V179-E194 HydrophobicContact CG1-CB 3.72Å; V179-A198 HydrophobicContact CG2-CB 3.85Å
180	S	97.3	Very high	92.3	Very high	8 Å²	8	51.1 Å²	51.1	6%	0.056	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	128	179	-178.1	0	0	0	0	110.5	T159 D162 G163 C164 A165	T159-S180 CarbonylContact O-C 3.57Å; T159-S180 WeakPolarHBondContact O-CA 3.4Å; D162-S180 WeakPolarHBondContact CA-OG 3.23Å; D162-S180 PolarHBondContact N-OG 2.87Å; D162-S180 WeakPolarHBondContact O-CB 3Å; D162-S180 PolarHBondContact O-OG 3.17Å; G163-S180 CarbonylContact O-C 3.57Å; G163-S180 PolarHBondContact O-OG 2.91Å; C164-S180 WeakPolarHBondContact CA-O 3.39Å; A165-S180 PolarHBondContact N-O 3.04Å; A165-S180 PolarHBondContact O-N 3.08Å
181	L	96.4	Very high	92.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	89.3	-178.3	-67.1	169.1	0	0	0	108.7	H121 I129 F158 T159 V179 C185 M186 I191 E194	H121-L181 PolarHBondContact NE2-O 3.24Å; I129-L181 HydrophobicContact CD1-CD1 3.71Å; I129-L181 HydrophobicContact CG1-CD1 3.77Å; F158-L181 HydrophobicContact CD1-CD1 3.68Å; F158-L181 HydrophobicContact CE1-CD1 3.98Å; T159-L181 PolarHBondContact O-N 3.36Å; V179-L181 HydrophobicContact CG1-CD1 4.17Å; V179-L181 HydrophobicContact CG1-CG 4.07Å; L181-C185 HydrophobicContact CB-CB 4.27Å; L181-C185 HydrophobicContact CD2-CB 3.79Å; L181-M186 HydrophobicContact CB-CE 3.55Å; L181-M186 WeakPolarHBondContact O-CE 3.49Å; L181-I191 HydrophobicContact CD1-CG1 4.24Å; L181-I191 HydrophobicContact CD1-CG2 3.9Å; L181-I191 HydrophobicContact CD2-CG1 4.25Å; L181-E194 HydrophobicContact CD2-CB 4.07Å; L181-E194 HydrophobicContact CD2-CG 3.58Å
182	S	94.4	Very high	92.8	Very high	30 Å²	30	48.4 Å²	48.4	21%	0.21	24%	0.243	C	C	.	.			trans	-64	170.7	169.4	-68.8	0	0	0	0	112.2	D160 G163 D184 C185 M186	D160-S182 PolarHBondContact O-OG 3.13Å; G163-S182 VanDerWaalsContact CA-OG 3.29Å; G163-S182 WeakPolarHBondContact CA-OG 3.15Å; G163-S182 PolarHBondContact N-OG 3.39Å; G163-S182 VanDerWaalsContact N-OG 3.17Å; G163-S182 WeakPolarHBondContact O-CB 3.32Å; G163-S182 PolarHBondContact O-N 3.03Å; G163-S182 PolarHBondContact O-OG 2.85Å; S182-D184 PolarHBondContact O-N 3.19Å; S182-D184 VanDerWaalsContact O-N 3.15Å; S182-C185 PolarHBondContact N-SG 3.33Å; S182-C185 VanDerWaalsContact N-SG 3.41Å; S182-C185 VanDerWaalsContact O-CB 3.26Å; S182-C185 WeakPolarHBondContact O-CB 3.49Å; S182-C185 PolarHBondContact O-N 3.28Å; S182-C185 PolarHBondContact O-SG 2.93Å; S182-M186 VanDerWaalsContact O-CE 3.32Å; S182-M186 WeakPolarHBondContact O-CE 3.42Å
183	L	92.3	Very high	93.3	Very high	129 Å²	129	46.2 Å²	46.2	68%	0.675	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-54.1	-37.9	-177	-176.7	60.5	0	0	0	113.6	C185 M186	L183-C185 PolarHBondContact O-N 3.4Å; L183-M186 WeakPolarHBondContact O-CB 3.42Å; L183-M186 VanDerWaalsContact O-CG 3.26Å; L183-M186 WeakPolarHBondContact O-CG 3.26Å; L183-M186 PolarHBondContact O-N 2.66Å
184	D	89.1	Confident	93.8	Very high	105 Å²	105	42.3 Å²	42.3	56%	0.561	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-71	-16.3	-179	-62.9	-39.1	0	0	0	113.7	P67 S182 M186	P67-D184 HydrophobicContact CB-CB 4Å; P67-D184 HydrophobicContact CG-CB 4.13Å; S182-D184 PolarHBondContact O-N 3.19Å; S182-D184 VanDerWaalsContact O-N 3.15Å; D184-M186 VanDerWaalsContact C-N 3.32Å
185	C	93.3	Very high	94.3	Very high	1 Å²	1	36 Å²	36	1%	0.007	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-83.8	-4.4	179.6	-43.9	0	0	0	0	113.1	G163 C164 L181 S182 L183 K187 V190 I191	G163-C185 VanDerWaalsContact C-SG 3.58Å; G163-C185 PolarHBondContact O-SG 2.92Å; C164-C185 WeakPolarHBondContact CA-SG 3.48Å; C164-C185 HydrophobicContact CB-CB 4Å; C164-C185 WeakPolarHBondContact CB-SG 3.47Å; C164-C185 PolarHBondContact N-SG 2.95Å; C164-C185 VanDerWaalsContact N-SG 3.4Å; C164-C185 WeakPolarHBondContact SG-CB 3.09Å; C164-C185 CovalentContact SG-SG 2.02Å; C164-C185 PolarHBondContact SG-SG 3.46Å; L181-C185 HydrophobicContact CB-CB 4.27Å; L181-C185 HydrophobicContact CD2-CB 3.79Å; S182-C185 PolarHBondContact N-SG 3.33Å; S182-C185 VanDerWaalsContact N-SG 3.41Å; S182-C185 VanDerWaalsContact O-CB 3.26Å; S182-C185 WeakPolarHBondContact O-CB 3.49Å; S182-C185 PolarHBondContact O-N 3.28Å; S182-C185 PolarHBondContact O-SG 2.93Å; L183-C185 PolarHBondContact O-N 3.4Å; C185-K187 PolarHBondContact O-N 3.41Å; C185-V190 HydrophobicContact CB-CG1 3.99Å; C185-I191 WeakPolarHBondContact O-CG1 3.44Å
186	M	94.3	Very high	94.6	Very high	29 Å²	29	31.3 Å²	31.3	14%	0.143	16%	0.158	C	C	.	.			trans	-75.1	49.9	-172.2	-62.7	-63.2	131.3	0	0	113.8	Q125 L128 L181 S182 L183 D184	Q125-M186 HydrophobicContact CB-SD 3.72Å; Q125-M186 HydrophobicContact CG-CG 4.02Å; Q125-M186 HydrophobicContact CG-SD 3.67Å; L128-M186 HydrophobicContact CD1-CB 4.36Å; L181-M186 HydrophobicContact CB-CE 3.55Å; L181-M186 WeakPolarHBondContact O-CE 3.49Å; S182-M186 VanDerWaalsContact O-CE 3.32Å; S182-M186 WeakPolarHBondContact O-CE 3.42Å; L183-M186 WeakPolarHBondContact O-CB 3.42Å; L183-M186 VanDerWaalsContact O-CG 3.26Å; L183-M186 WeakPolarHBondContact O-CG 3.26Å; L183-M186 PolarHBondContact O-N 2.66Å; D184-M186 VanDerWaalsContact C-N 3.32Å
187	K	91	Very high	94.7	Very high	125 Å²	125	29.6 Å²	29.6	54%	0.543	15%	0.147	S	C	.	.	S	Bend	trans	-122.3	135.4	173.8	-64.5	170.5	-171.8	146.5	0	108.2	C185 G189 V190 I191	C185-K187 PolarHBondContact O-N 3.41Å; K187-G189 VanDerWaalsContact C-N 3.26Å; K187-G189 PolarHBondContact O-N 3.46Å; K187-G189 VanDerWaalsContact O-N 3.13Å; K187-V190 HydrophobicContact CB-CB 4.31Å; K187-V190 HydrophobicContact CB-CG2 4.03Å; K187-V190 HydrophobicContact CD-CG2 4.34Å; K187-V190 PolarHBondContact O-N 3.41Å; K187-I191 WeakPolarHBondContact O-CG1 3.39Å; K187-I191 PolarHBondContact O-N 3.33Å
188	L	92.2	Very high	94.7	Very high	48 Å²	48	29.4 Å²	29.4	25%	0.251	15%	0.146	S	C	.	.	H	α-helix	trans	-50.8	-44.4	-174.5	-172	71	0	0	0	113	L9 L131 A132 A192	L9-L188 HydrophobicContact CD2-CD2 4.03Å; L131-L188 HydrophobicContact CB-CD1 4.05Å; A132-L188 HydrophobicContact CB-CD1 3.87Å; L188-A192 VanDerWaalsContact O-CB 3.3Å; L188-A192 WeakPolarHBondContact O-CB 3.47Å; L188-A192 PolarHBondContact O-N 3.44Å
189	G	92.1	Very high	94.8	Very high	4 Å²	4	23.5 Å²	23.5	4%	0.041	12%	0.123	C	C	.	.	H	α-helix	trans	-69.9	-35.9	178.8	0	0	0	0	0	114.1	K187 A192 H193 I249 R280	K187-G189 VanDerWaalsContact C-N 3.26Å; K187-G189 PolarHBondContact O-N 3.46Å; K187-G189 VanDerWaalsContact O-N 3.13Å; G189-A192 PolarHBondContact O-N 2.95Å; G189-H193 WeakPolarHBondContact O-CB 3.3Å; G189-H193 PolarHBondContact O-N 2.03Å; G189-I249 WeakPolarHBondContact O-CD1 3.32Å; G189-R280 WeakPolarHBondContact CA-O 3.42Å
190	V	93.8	Very high	94.6	Very high	6 Å²	6	23.5 Å²	23.5	4%	0.036	12%	0.123	C	C	.	.	H	α-helix	trans	-67.1	-44.8	175.5	178.4	0	0	0	0	110	C164 C185 K187 A192 H193 E194 R280	C164-V190 HydrophobicContact CB-CG1 4.33Å; C185-V190 HydrophobicContact CB-CG1 3.99Å; K187-V190 HydrophobicContact CB-CB 4.31Å; K187-V190 HydrophobicContact CB-CG2 4.03Å; K187-V190 HydrophobicContact CD-CG2 4.34Å; K187-V190 PolarHBondContact O-N 3.41Å; V190-A192 VanDerWaalsContact C-N 3.31Å; V190-A192 PolarHBondContact O-N 3.03Å; V190-H193 VanDerWaalsContact O-CB 3.28Å; V190-H193 WeakPolarHBondContact O-CB 3.47Å; V190-H193 PolarHBondContact O-N 3Å; V190-H193 VanDerWaalsContact O-N 3.12Å; V190-E194 PolarHBondContact O-N 2.79Å; V190-R280 HydrophobicContact CG2-CB 4.09Å; V190-R280 HydrophobicContact CG2-CG 4.42Å
191	I	96.3	Very high	94.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-61.9	-43	175.3	-56.3	166.1	0	0	0	110.6	L128 I129 A132 L181 C185 K187 H193 E194 V195	L128-I191 HydrophobicContact CB-CD1 4.15Å; I129-I191 HydrophobicContact CB-CG2 4.44Å; I129-I191 HydrophobicContact CG1-CD1 3.97Å; I129-I191 HydrophobicContact CG1-CG2 4.23Å; I129-I191 HydrophobicContact CG2-CG2 4.31Å; A132-I191 HydrophobicContact CB-CB 3.8Å; A132-I191 HydrophobicContact CB-CG2 3.5Å; L181-I191 HydrophobicContact CD1-CG1 4.24Å; L181-I191 HydrophobicContact CD1-CG2 3.9Å; L181-I191 HydrophobicContact CD2-CG1 4.25Å; C185-I191 WeakPolarHBondContact O-CG1 3.44Å; K187-I191 WeakPolarHBondContact O-CG1 3.39Å; K187-I191 PolarHBondContact O-N 3.33Å; I191-H193 PolarHBondContact O-N 3.12Å; I191-E194 PolarHBondContact O-N 3.49Å; I191-V195 HydrophobicContact CG2-CG2 4.25Å; I191-V195 WeakPolarHBondContact O-CB 3.31Å; I191-V195 VanDerWaalsContact O-CG2 3.29Å; I191-V195 WeakPolarHBondContact O-CG2 3.07Å; I191-V195 PolarHBondContact O-N 3.12Å
192	A	97	Very high	94.1	Very high	4 Å²	4	24 Å²	24	3%	0.033	12%	0.124	C	C	.	.	H	α-helix	trans	-61	-34.1	177.2	0	0	0	0	0	112.4	W136 L188 G189 V190 A196 I249 L283	W136-A192 PolarHBondContact NE1-O 2.8Å; W136-A192 VanDerWaalsContact NE1-O 3.14Å; L188-A192 VanDerWaalsContact O-CB 3.3Å; L188-A192 WeakPolarHBondContact O-CB 3.47Å; L188-A192 PolarHBondContact O-N 3.44Å; G189-A192 PolarHBondContact O-N 2.95Å; V190-A192 VanDerWaalsContact C-N 3.31Å; V190-A192 PolarHBondContact O-N 3.03Å; A192-A196 WeakPolarHBondContact O-CB 3.38Å; A192-A196 PolarHBondContact O-N 2.82Å; A192-I249 HydrophobicContact CB-CD1 4.46Å; A192-L283 HydrophobicContact CB-CG 4.47Å
193	H	96	Very high	94.1	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-64.5	-51.8	173.7	176.7	106	0	0	0	111.7	D72 G189 V190 I191 V195 A196 H197 I249	D72-H193 IonicContact OD2-NE2 3.54Å; D72-H193 PolarHBondContact OD2-NE2 3.38Å; G189-H193 WeakPolarHBondContact O-CB 3.3Å; G189-H193 PolarHBondContact O-N 2.03Å; V190-H193 VanDerWaalsContact O-CB 3.28Å; V190-H193 WeakPolarHBondContact O-CB 3.47Å; V190-H193 PolarHBondContact O-N 3Å; V190-H193 VanDerWaalsContact O-N 3.12Å; I191-H193 PolarHBondContact O-N 3.12Å; H193-V195 VanDerWaalsContact C-N 3.33Å; H193-V195 PolarHBondContact O-N 3.39Å; H193-A196 WeakPolarHBondContact O-CA 3.3Å; H193-A196 WeakPolarHBondContact O-CB 3.45Å; H193-A196 PolarHBondContact O-N 2.82Å; H193-H197 AromaticContact CD2-CD2 3.74Å; H193-H197 AromaticContact CD2-NE2 3.75Å; H193-H197 AromaticContact CE1-NE2 3.95Å; H193-H197 AromaticContact NE2-CD2 3.66Å; H193-H197 AromaticContact NE2-NE2 3.16Å; H193-H197 PolarHBondContact NE2-NE2 2.86Å; H193-H197 VanDerWaalsContact NE2-NE2 3.16Å; H193-H197 PolarHBondContact O-N 3.29Å; H193-I249 HydrophobicContact CB-CD1 4.3Å; H193-I249 HydrophobicContact CB-CG1 4.27Å; H193-I249 HydrophobicContact CB-CG2 4.44Å; H193-I249 PolarHBondContact CE1-O 3.37Å; H193-I249 PolarHBondContact ND1-O 2.93Å
194	E	96.7	Very high	94.2	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.019	8%	0.082	C	C	.	.	H	α-helix	trans	-62.8	-40.5	178.7	-58.4	-45.7	140.6	0	0	112.2	C164 A165 S166 V179 L181 V190 I191 A196 H197 A198	C164-E194 HydrophobicContact CB-CG 4.34Å; A165-E194 WeakPolarHBondContact CA-OE2 3.4Å; S166-E194 WeakPolarHBondContact CB-O 3.49Å; S166-E194 PolarHBondContact OG-O 3.15Å; V179-E194 HydrophobicContact CG1-CB 3.72Å; L181-E194 HydrophobicContact CD2-CB 4.07Å; L181-E194 HydrophobicContact CD2-CG 3.58Å; V190-E194 PolarHBondContact O-N 2.79Å; I191-E194 PolarHBondContact O-N 3.49Å; E194-A196 PolarHBondContact O-N 2.91Å; E194-H197 WeakPolarHBondContact O-CB 3.43Å; E194-H197 PolarHBondContact O-N 3.04Å; E194-H197 IonicContact OE2-CD2 2.67Å; E194-A198 PolarHBondContact O-N 3.45Å; E194-A198 VanDerWaalsContact O-N 3.13Å
195	V	97.1	Very high	94.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.6	-36	172.7	173.3	0	0	0	0	110.7	L133 W136 F144 F158 I191 H193 H197 A198 L199	L133-V195 HydrophobicContact CD2-CG1 3.86Å; L133-V195 HydrophobicContact CD2-CG2 3.8Å; W136-V195 HydrophobicContact CG-CG1 4.46Å; F144-V195 HydrophobicContact CZ-CG1 4.14Å; F158-V195 HydrophobicContact CE1-CG2 4.14Å; F158-V195 HydrophobicContact CZ-CG2 4.11Å; I191-V195 HydrophobicContact CG2-CG2 4.25Å; I191-V195 WeakPolarHBondContact O-CB 3.31Å; I191-V195 VanDerWaalsContact O-CG2 3.29Å; I191-V195 WeakPolarHBondContact O-CG2 3.07Å; I191-V195 PolarHBondContact O-N 3.12Å; H193-V195 VanDerWaalsContact C-N 3.33Å; H193-V195 PolarHBondContact O-N 3.39Å; V195-H197 VanDerWaalsContact C-N 3.32Å; V195-H197 PolarHBondContact O-N 2.93Å; V195-A198 WeakPolarHBondContact O-CB 3.14Å; V195-A198 PolarHBondContact O-N 3.22Å; V195-L199 HydrophobicContact CG1-CD1 4.05Å; V195-L199 HydrophobicContact CG1-CG 4.23Å; V195-L199 WeakPolarHBondContact O-CB 3.38Å; V195-L199 VanDerWaalsContact O-CG 3.26Å; V195-L199 WeakPolarHBondContact O-CG 3.02Å; V195-L199 PolarHBondContact O-N 3.38Å
196	A	97	Very high	94.1	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-63.5	-38	176.9	0	0	0	0	0	112.3	W136 A192 H193 E194 L199 G200 F201 M250	W136-A196 HydrophobicContact CH2-CB 4.4Å; W136-A196 HydrophobicContact CZ2-CB 3.64Å; A192-A196 WeakPolarHBondContact O-CB 3.38Å; A192-A196 PolarHBondContact O-N 2.82Å; H193-A196 WeakPolarHBondContact O-CA 3.3Å; H193-A196 WeakPolarHBondContact O-CB 3.45Å; H193-A196 PolarHBondContact O-N 2.82Å; E194-A196 PolarHBondContact O-N 2.91Å; A196-L199 PolarHBondContact O-N 2.85Å; A196-G200 PolarHBondContact O-N 2.77Å; A196-F201 HydrophobicContact CB-CB 4.35Å; A196-F201 HydrophobicContact CB-CD1 3.46Å; A196-F201 VanDerWaalsContact CB-CD1 3.46Å; A196-F201 HydrophobicContact CB-CE1 4.19Å; A196-F201 HydrophobicContact CB-CG 4.33Å; A196-F201 PolarHBondContact O-N 2.77Å; A196-M250 HydrophobicContact CB-CE 4.37Å; A196-M250 HydrophobicContact CB-SD 3.65Å
197	H	95.5	Very high	93.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-58.1	-53.3	169.6	-78.6	-52	0	0	0	110.9	D72 N167 V168 G169 H193 E194 V195 L199 G200 F201 H203 M250	D72-H197 IonicContact OD2-NE2 2.77Å; N167-H197 CarbonylContact O-C 3.56Å; V168-H197 CarbonylContact C-O 3.49Å; V168-H197 VanDerWaalsContact CA-O 3.31Å; V168-H197 WeakPolarHBondContact CA-O 3.44Å; V168-H197 HydrophobicContact CG2-CB 4.28Å; G169-H197 PolarHBondContact N-O 2.84Å; H193-H197 AromaticContact CD2-CD2 3.74Å; H193-H197 AromaticContact CD2-NE2 3.75Å; H193-H197 AromaticContact CE1-NE2 3.95Å; H193-H197 AromaticContact NE2-CD2 3.66Å; H193-H197 AromaticContact NE2-NE2 3.16Å; H193-H197 PolarHBondContact NE2-NE2 2.86Å; H193-H197 VanDerWaalsContact NE2-NE2 3.16Å; H193-H197 PolarHBondContact O-N 3.29Å; E194-H197 WeakPolarHBondContact O-CB 3.43Å; E194-H197 PolarHBondContact O-N 3.04Å; E194-H197 IonicContact OE2-CD2 2.67Å; V195-H197 VanDerWaalsContact C-N 3.32Å; V195-H197 PolarHBondContact O-N 2.93Å; H197-L199 PolarHBondContact O-N 3.09Å; H197-L199 VanDerWaalsContact O-N 3.13Å; H197-G200 WeakPolarHBondContact O-CA 3.43Å; H197-G200 PolarHBondContact O-N 3.25Å; H197-F201 PolarHBondContact ND1-O 2.81Å; H197-H203 AromaticContact CE1-CD2 3.44Å; H197-H203 PolarHBondContact CE1-CD2 3.26Å; H197-H203 VanDerWaalsContact CE1-CD2 3.44Å; H197-H203 AromaticContact CE1-CE1 3.96Å; H197-H203 AromaticContact CE1-NE2 3.32Å; H197-H203 PolarHBondContact CE1-NE2 3.48Å; H197-H203 VanDerWaalsContact CE1-NE2 3.32Å; H197-H203 AromaticContact NE2-CD2 3.56Å; H197-H203 AromaticContact NE2-NE2 3.18Å; H197-H203 PolarHBondContact NE2-NE2 3.13Å; H197-H203 VanDerWaalsContact NE2-NE2 3.18Å; H197-M250 WeakPolarHBondContact CE1-CE 3.42Å; H197-M250 WeakPolarHBondContact ND1-CE 3.31Å; H197-M250 VanDerWaalsContact NE2-CE 3.3Å; H197-M250 WeakPolarHBondContact NE2-CE 3.13Å
198	A	95.8	Very high	93.5	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-56.1	-32.6	177.2	0	0	0	0	0	113	W107 I156 S166 N167 G169 V179 E194 V195	W107-A198 PolarHBondContact NE1-O 3.48Å; I156-A198 HydrophobicContact CD1-CB 3.83Å; I156-A198 HydrophobicContact CG1-CB 4.47Å; S166-A198 PolarHBondContact OG-N 3.05Å; N167-A198 VanDerWaalsContact O-CA 3.3Å; N167-A198 WeakPolarHBondContact O-CA 3.2Å; N167-A198 PolarHBondContact O-N 3.31Å; G169-A198 CarbonylContact C-O 3.48Å; G169-A198 VanDerWaalsContact C-O 3.23Å; G169-A198 WeakPolarHBondContact CA-O 3.05Å; G169-A198 PolarHBondContact N-O 2.87Å; V179-A198 HydrophobicContact CG2-CB 3.85Å; E194-A198 PolarHBondContact O-N 3.45Å; E194-A198 VanDerWaalsContact O-N 3.13Å; V195-A198 WeakPolarHBondContact O-CB 3.14Å; V195-A198 PolarHBondContact O-N 3.22Å
199	L	95.7	Very high	93.2	Very high	0 Å²	0	3 Å²	3	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-76.5	-20.9	175.8	-69.3	177.5	0	0	0	113.9	F99 I113 W136 L142 F144 V195 A196 H197 M291 Y295	F99-L199 VanDerWaalsContact CE2-O 3.26Å; F99-L199 WeakPolarHBondContact CE2-O 3.04Å; F99-L199 WeakPolarHBondContact CZ-O 3.38Å; I113-L199 HydrophobicContact CD1-CD2 3.42Å; I113-L199 VanDerWaalsContact CD1-CD2 3.42Å; W136-L199 HydrophobicContact CD2-CD1 4.06Å; W136-L199 HydrophobicContact CE3-CD1 4.37Å; W136-L199 HydrophobicContact CG-CD1 4.31Å; L142-L199 HydrophobicContact CD1-CD1 3.99Å; L142-L199 HydrophobicContact CD1-CD2 3.82Å; L142-L199 HydrophobicContact CD1-CG 4.49Å; F144-L199 HydrophobicContact CE1-CD2 4.43Å; F144-L199 HydrophobicContact CZ-CD1 4.35Å; F144-L199 HydrophobicContact CZ-CD2 4.18Å; V195-L199 HydrophobicContact CG1-CD1 4.05Å; V195-L199 HydrophobicContact CG1-CG 4.23Å; V195-L199 WeakPolarHBondContact O-CB 3.38Å; V195-L199 VanDerWaalsContact O-CG 3.26Å; V195-L199 WeakPolarHBondContact O-CG 3.02Å; V195-L199 PolarHBondContact O-N 3.38Å; A196-L199 PolarHBondContact O-N 2.85Å; H197-L199 PolarHBondContact O-N 3.09Å; H197-L199 VanDerWaalsContact O-N 3.13Å; L199-M291 HydrophobicContact CB-CE 3.64Å; L199-M291 HydrophobicContact CB-SD 4.07Å; L199-M291 HydrophobicContact CD1-CE 3.64Å; L199-M291 HydrophobicContact CD1-SD 4.17Å; L199-M291 HydrophobicContact CG-CE 4.31Å; L199-Y295 PolarHBondContact O-OH 2.79Å
200	G	93.4	Very high	92.9	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	126.6	13.1	172.7	0	0	0	0	0	116	F99 I100 A196 H197	F99-G200 CarbonylContact C-O 3.55Å; F99-G200 WeakPolarHBondContact CA-O 3.23Å; F99-G200 VanDerWaalsContact CD2-C 3.47Å; F99-G200 VanDerWaalsContact CD2-O 3.23Å; F99-G200 WeakPolarHBondContact CD2-O 3.09Å; F99-G200 WeakPolarHBondContact CG-O 3.48Å; I100-G200 PolarHBondContact N-O 3.41Å; A196-G200 PolarHBondContact O-N 2.77Å; H197-G200 WeakPolarHBondContact O-CA 3.43Å; H197-G200 PolarHBondContact O-N 3.25Å
201	F	93.5	Very high	92.6	Very high	0 Å²	0	6.6 Å²	6.6	0%	0	3%	0.034	C	C	.	.	B	Isolated β-bridge	trans	-77.2	132.3	171.3	-75.5	153.9	0	0	0	112.5	F99 W136 A196 H197 M250 D287 L290 M291	F99-F201 HydrophobicContact CB-CD2 4.38Å; F99-F201 AromaticContact CD2-CD2 3.54Å; F99-F201 HydrophobicContact CD2-CD2 3.54Å; F99-F201 AromaticContact CD2-CE2 3.66Å; F99-F201 HydrophobicContact CD2-CE2 3.66Å; F99-F201 HydrophobicContact CD2-CG 4.5Å; F99-F201 HydrophobicContact CE2-CD2 4.35Å; F99-F201 HydrophobicContact CE2-CE2 4.41Å; F99-F201 HydrophobicContact CG-CD2 4.42Å; W136-F201 AromaticContact CH2-CE1 3.95Å; W136-F201 HydrophobicContact CH2-CE1 3.95Å; A196-F201 HydrophobicContact CB-CB 4.35Å; A196-F201 HydrophobicContact CB-CD1 3.46Å; A196-F201 VanDerWaalsContact CB-CD1 3.46Å; A196-F201 HydrophobicContact CB-CE1 4.19Å; A196-F201 HydrophobicContact CB-CG 4.33Å; A196-F201 PolarHBondContact O-N 2.77Å; H197-F201 PolarHBondContact ND1-O 2.81Å; F201-M250 HydrophobicContact CB-CE 3.92Å; F201-M250 HydrophobicContact CB-CG 3.97Å; F201-M250 HydrophobicContact CB-SD 4.18Å; F201-M250 HydrophobicContact CD1-CG 3.78Å; F201-M250 HydrophobicContact CD1-SD 4.08Å; F201-M250 HydrophobicContact CG-CG 4.12Å; F201-D287 HydrophobicContact CE1-CB 4.28Å; F201-D287 VanDerWaalsContact CZ-O 3.3Å; F201-D287 WeakPolarHBondContact CZ-O 3.45Å; F201-L290 HydrophobicContact CD2-CD2 4.06Å; F201-L290 HydrophobicContact CE2-CB 4.06Å; F201-L290 HydrophobicContact CE2-CD2 3.41Å; F201-L290 VanDerWaalsContact CE2-CD2 3.41Å; F201-L290 HydrophobicContact CE2-CG 3.67Å; F201-L290 HydrophobicContact CZ-CB 4.15Å; F201-L290 HydrophobicContact CZ-CD2 4.22Å; F201-L290 HydrophobicContact CZ-CG 4.26Å; F201-M291 HydrophobicContact CD1-CE 4.05Å; F201-M291 HydrophobicContact CE1-CE 3.56Å; F201-M291 HydrophobicContact CE2-CE 4.26Å; F201-M291 HydrophobicContact CZ-CB 4.2Å; F201-M291 HydrophobicContact CZ-CE 3.64Å; F201-M291 HydrophobicContact CZ-SD 4.49Å
202	W	90.2	Very high	92	Very high	19 Å²	19	11 Å²	11	7%	0.072	6%	0.055	C	C	.	.	P	Polyproline II helix	trans	-84	165.9	154.7	-64.5	108.6	0	0	0	109.7	I73 L75 I100 V168 E232	I73-W202 HydrophobicContact CD1-CE3 3.75Å; I73-W202 HydrophobicContact CD1-CZ3 3.91Å; I73-W202 HydrophobicContact CG2-CZ3 4.12Å; L75-W202 HydrophobicContact CD2-CH2 4.3Å; I100-W202 HydrophobicContact CG1-CZ2 4.4Å; V168-W202 HydrophobicContact CB-CE3 4.42Å; V168-W202 HydrophobicContact CB-CH2 4.06Å; V168-W202 HydrophobicContact CB-CZ2 4.3Å; V168-W202 HydrophobicContact CB-CZ3 4.13Å; V168-W202 HydrophobicContact CG1-CD2 3.84Å; V168-W202 HydrophobicContact CG1-CE3 4.04Å; V168-W202 HydrophobicContact CG1-CG 4.44Å; V168-W202 HydrophobicContact CG1-CH2 4.06Å; V168-W202 HydrophobicContact CG1-CZ2 3.85Å; V168-W202 HydrophobicContact CG1-CZ3 4.16Å; V168-W202 HydrophobicContact CG2-CE3 4.05Å; V168-W202 HydrophobicContact CG2-CH2 4.3Å; V168-W202 HydrophobicContact CG2-CZ3 3.87Å; W202-E232 HydrophobicContact CB-CG 4.15Å; W202-E232 HydrophobicContact CD2-CG 4.01Å; W202-E232 HydrophobicContact CE3-CG 4.24Å; W202-E232 HydrophobicContact CG-CG 3.95Å
203	H	93.3	Very high	91.4	Very high	2 Å²	2	13 Å²	13	1%	0.009	6%	0.062	C	C	.	.	P	Polyproline II helix	trans	-63.3	149	171.9	-59.1	124	0	0	0	113.1	D72 I73 H197 Q205 S206 M250 Y252	D72-H203 IonicContact OD1-CE1 3.25Å; D72-H203 PolarHBondContact OD1-CE1 3.12Å; D72-H203 IonicContact OD1-NE2 3.67Å; D72-H203 PolarHBondContact OD1-NE2 3.12Å; D72-H203 IonicContact OD2-CD2 2.83Å; D72-H203 IonicContact OD2-CE1 3.21Å; D72-H203 IonicContact OD2-NE2 3.91Å; D72-H203 PolarHBondContact OD2-NE2 3.24Å; I73-H203 WeakPolarHBondContact CD1-CE1 3.35Å; H197-H203 AromaticContact CE1-CD2 3.44Å; H197-H203 PolarHBondContact CE1-CD2 3.26Å; H197-H203 VanDerWaalsContact CE1-CD2 3.44Å; H197-H203 AromaticContact CE1-CE1 3.96Å; H197-H203 AromaticContact CE1-NE2 3.32Å; H197-H203 PolarHBondContact CE1-NE2 3.48Å; H197-H203 VanDerWaalsContact CE1-NE2 3.32Å; H197-H203 AromaticContact NE2-CD2 3.56Å; H197-H203 AromaticContact NE2-NE2 3.18Å; H197-H203 PolarHBondContact NE2-NE2 3.13Å; H197-H203 VanDerWaalsContact NE2-NE2 3.18Å; H203-Q205 VanDerWaalsContact CG-NE2 3.35Å; H203-Q205 PolarHBondContact ND1-NE2 3.3Å; H203-Q205 PolarHBondContact O-N 3.16Å; H203-S206 PolarHBondContact O-N 2.85Å; H203-M250 CarbonylContact C-O 3.56Å; H203-M250 VanDerWaalsContact CA-O 3.23Å; H203-M250 WeakPolarHBondContact CA-O 3.35Å; H203-M250 WeakPolarHBondContact CB-O 3.45Å; H203-Y252 AromaticContact CD2-CE1 3.73Å; H203-Y252 AromaticContact CE1-CE1 3.43Å; H203-Y252 VanDerWaalsContact CE1-CE1 3.43Å; H203-Y252 WeakPolarHBondContact CE1-CE1 3.02Å; H203-Y252 AromaticContact CE1-CZ 3.67Å; H203-Y252 PolarHBondContact CE1-OH 3.27Å; H203-Y252 VanDerWaalsContact CE1-OH 3.22Å; H203-Y252 AromaticContact CG-CE1 3.86Å; H203-Y252 AromaticContact ND1-CE1 3.71Å; H203-Y252 AromaticContact ND1-CZ 3.82Å; H203-Y252 AromaticContact NE2-CE1 3.46Å; H203-Y252 WeakPolarHBondContact NE2-CE1 3.32Å
204	E	95	Very high	90.9	Very high	1 Å²	1	13 Å²	13	1%	0.005	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-63	-43.7	177.1	-165.7	74.2	-149.5	0	0	111	K98 S206 R207 Y244 D245 S248 M250 H251	K98-E204 WeakPolarHBondContact CD-OE2 3.28Å; K98-E204 WeakPolarHBondContact CE-OE2 3.44Å; K98-E204 IonicContact NZ-OE2 3.4Å; K98-E204 PolarHBondContact NZ-OE2 2.99Å; E204-S206 PolarHBondContact O-N 3.46Å; E204-R207 WeakPolarHBondContact O-CB 3.4Å; E204-R207 WeakPolarHBondContact O-CG 3.14Å; E204-R207 PolarHBondContact O-N 2.67Å; E204-R207 VanDerWaalsContact O-N 3.17Å; E204-R207 WeakPolarHBondContact OE1-CD 3.48Å; E204-R207 IonicContact OE1-CZ 3.07Å; E204-R207 IonicContact OE1-NE 3.99Å; E204-R207 IonicContact OE1-NH1 3.93Å; E204-R207 PolarHBondContact OE1-NH1 2.88Å; E204-Y244 HydrophobicContact CG-CD1 4.26Å; E204-Y244 HydrophobicContact CG-CD2 4.19Å; E204-Y244 HydrophobicContact CG-CE1 3.91Å; E204-Y244 HydrophobicContact CG-CE2 3.86Å; E204-Y244 HydrophobicContact CG-CG 4.38Å; E204-Y244 WeakPolarHBondContact O-CE2 3.13Å; E204-Y244 WeakPolarHBondContact OE1-CA 3.37Å; E204-D245 PolarHBondContact OE1-N 3.13Å; E204-S248 VanDerWaalsContact OE2-CB 3.23Å; E204-S248 WeakPolarHBondContact OE2-CB 3.39Å; E204-S248 PolarHBondContact OE2-OG 2.83Å; E204-M250 PolarHBondContact N-O 2.88Å; E204-H251 HydrophobicContact CB-CB 3.86Å; E204-H251 HydrophobicContact CG-CB 4.5Å
205	Q	90.7	Very high	90.5	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-73.9	-1.7	180	82.8	-68.1	-24.7	0	0	113.6	H203 R210 Y244 M250 Y252 L266	H203-Q205 VanDerWaalsContact CG-NE2 3.35Å; H203-Q205 PolarHBondContact ND1-NE2 3.3Å; H203-Q205 PolarHBondContact O-N 3.16Å; Q205-R210 WeakPolarHBondContact O-CD 3.33Å; Q205-R210 PolarHBondContact O-NH1 3.42Å; Q205-Y244 WeakPolarHBondContact CA-OH 3.44Å; Q205-M250 PolarHBondContact OE1-O 2.04Å; Q205-Y252 HydrophobicContact CG-CD2 3.86Å; Q205-Y252 HydrophobicContact CG-CG 3.96Å; Q205-Y252 VanDerWaalsContact NE2-CE1 3.28Å; Q205-Y252 VanDerWaalsContact NE2-CZ 3.28Å; Q205-L266 HydrophobicContact CB-CD1 4.26Å; Q205-L266 HydrophobicContact CG-CD1 4.17Å
206	S	89.8	Confident	89.8	Confident	4 Å²	4	18 Å²	18	3%	0.028	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-97.5	-0.1	173.4	-53.6	0	0	0	0	111.4	H203 E204 K231 E232	H203-S206 PolarHBondContact O-N 2.85Å; E204-S206 PolarHBondContact O-N 3.46Å; S206-K231 CarbonylContact O-C 3.23Å; S206-K231 WeakPolarHBondContact O-CA 3.06Å; S206-E232 PolarHBondContact O-N 3.2Å
207	R	87.7	Confident	89.2	Confident	2 Å²	2	18.4 Å²	18.4	1%	0.008	9%	0.092	C	C	.	.	S	Bend	trans	-58.2	143.6	179.2	-73.3	176.4	59.6	137.8	5.3	113	K98 E204 D209 R210 I242 P243 Y244	K98-R207 HydrophobicContact CB-CG 4.3Å; E204-R207 WeakPolarHBondContact O-CB 3.4Å; E204-R207 WeakPolarHBondContact O-CG 3.14Å; E204-R207 PolarHBondContact O-N 2.67Å; E204-R207 VanDerWaalsContact O-N 3.17Å; E204-R207 WeakPolarHBondContact OE1-CD 3.48Å; E204-R207 IonicContact OE1-CZ 3.07Å; E204-R207 IonicContact OE1-NE 3.99Å; E204-R207 IonicContact OE1-NH1 3.93Å; E204-R207 PolarHBondContact OE1-NH1 2.88Å; R207-D209 WeakPolarHBondContact CB-OD1 3.28Å; R207-D209 IonicContact CZ-OD1 3.82Å; R207-D209 IonicContact CZ-OD2 3.3Å; R207-D209 IonicContact NE-OD1 3.41Å; R207-D209 PolarHBondContact NE-OD1 2.85Å; R207-D209 IonicContact NE-OD2 3.24Å; R207-D209 IonicContact NH2-OD1 2.66Å; R207-D209 PolarHBondContact NH2-OD1 3.42Å; R207-D209 IonicContact NH2-OD2 3.03Å; R207-D209 PolarHBondContact NH2-OD2 3.29Å; R207-D209 VanDerWaalsContact NH2-OD2 3.07Å; R207-D209 PolarHBondContact O-N 3.06Å; R207-D209 VanDerWaalsContact O-N 3.12Å; R207-R210 VanDerWaalsContact O-CB 3.3Å; R207-R210 WeakPolarHBondContact O-CB 3.5Å; R207-R210 WeakPolarHBondContact O-CG 3.39Å; R207-R210 PolarHBondContact O-N 2.82Å; R207-I242 PolarHBondContact NH1-O 2.98Å; R207-I242 PolarHBondContact NH2-O 3.04Å; R207-P243 PolarHBondContact NH1-O 3.14Å; R207-Y244 HydrophobicContact CB-CD2 4.37Å; R207-Y244 HydrophobicContact CB-CE2 4.39Å
208	P	84.7	Confident	88.8	Confident	13 Å²	13	24 Å²	24	8%	0.084	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.3	176.6	-22.2	28.5	0	0	0	114.8	R97 E232 S234	R97-P208 WeakPolarHBondContact O-CD 3.45Å; P208-E232 WeakPolarHBondContact CG-O 3.25Å; P208-S234 WeakPolarHBondContact CB-OG 3.45Å
209	D	85.5	Confident	88.4	Confident	2 Å²	2	33.4 Å²	33.4	1%	0.011	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	1.5	-179.9	62.3	-18.2	0	0	0	114.3	K96 R207 D211 Q212 Y213	K96-D209 HydrophobicContact CG-CB 4.34Å; K96-D209 WeakPolarHBondContact CG-OD2 3.49Å; R207-D209 WeakPolarHBondContact CB-OD1 3.28Å; R207-D209 IonicContact CZ-OD1 3.82Å; R207-D209 IonicContact CZ-OD2 3.3Å; R207-D209 IonicContact NE-OD1 3.41Å; R207-D209 PolarHBondContact NE-OD1 2.85Å; R207-D209 IonicContact NE-OD2 3.24Å; R207-D209 IonicContact NH2-OD1 2.66Å; R207-D209 PolarHBondContact NH2-OD1 3.42Å; R207-D209 IonicContact NH2-OD2 3.03Å; R207-D209 PolarHBondContact NH2-OD2 3.29Å; R207-D209 VanDerWaalsContact NH2-OD2 3.07Å; R207-D209 PolarHBondContact O-N 3.06Å; R207-D209 VanDerWaalsContact O-N 3.12Å; D209-D211 PolarHBondContact O-N 2.84Å; D209-D211 VanDerWaalsContact O-N 3.09Å; D209-Q212 WeakPolarHBondContact O-CB 3.35Å; D209-Q212 PolarHBondContact O-N 2.77Å; D209-Q212 VanDerWaalsContact O-N 3.14Å; D209-Y213 WeakPolarHBondContact O-CD2 3.17Å
210	R	87.2	Confident	88	Confident	7 Å²	7	34.7 Å²	34.7	3%	0.026	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-54.5	-33.6	-173.6	78.8	-178.3	-174.6	-157.9	-0.9	114.8	Q205 R207 Q212 Y213 V214 F229 L230 K231 Y244	Q205-R210 WeakPolarHBondContact O-CD 3.33Å; Q205-R210 PolarHBondContact O-NH1 3.42Å; R207-R210 VanDerWaalsContact O-CB 3.3Å; R207-R210 WeakPolarHBondContact O-CB 3.5Å; R207-R210 WeakPolarHBondContact O-CG 3.39Å; R207-R210 PolarHBondContact O-N 2.82Å; R210-Q212 PolarHBondContact O-N 3.11Å; R210-Y213 CarbonylContact O-C 3.6Å; R210-Y213 WeakPolarHBondContact O-CA 3.42Å; R210-Y213 PolarHBondContact O-N 3.16Å; R210-V214 HydrophobicContact CB-CG2 4.05Å; R210-V214 HydrophobicContact CG-CG2 4.29Å; R210-V214 PolarHBondContact O-N 2.91Å; R210-F229 PolarHBondContact NH1-O 2.87Å; R210-F229 PolarHBondContact NH2-O 2.8Å; R210-L230 VanDerWaalsContact NH1-C 3.35Å; R210-L230 PolarHBondContact NH1-O 3.43Å; R210-K231 HydrophobicContact CG-CD 3.97Å; R210-K231 HydrophobicContact CG-CG 4.18Å; R210-K231 VanDerWaalsContact NE-CG 3.28Å; R210-Y244 HydrophobicContact CB-CD2 4.48Å; R210-Y244 HydrophobicContact CB-CE2 3.74Å
211	D	85.7	Confident	87.5	Confident	78 Å²	78	34.8 Å²	34.8	42%	0.417	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-69.2	-7.7	-173.5	-55.9	-24.3	0	0	0	112	D209 Y213 V214 K231	D209-D211 PolarHBondContact O-N 2.84Å; D209-D211 VanDerWaalsContact O-N 3.09Å; D211-Y213 VanDerWaalsContact C-N 3.32Å; D211-V214 WeakPolarHBondContact CA-O 3.28Å; D211-K231 IonicContact OD2-NZ 2.9Å; D211-K231 PolarHBondContact OD2-NZ 2.92Å
212	Q	84.7	Confident	87.1	Confident	92 Å²	92	38.1 Å²	38.1	43%	0.43	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-79.1	-16.2	168.6	-61.6	-176.6	-19.7	0	0	112.7	D209 R210	D209-Q212 WeakPolarHBondContact O-CB 3.35Å; D209-Q212 PolarHBondContact O-N 2.77Å; D209-Q212 VanDerWaalsContact O-N 3.14Å; R210-Q212 PolarHBondContact O-N 3.11Å
213	Y	85.1	Confident	86.8	Confident	46 Å²	46	43.9 Å²	43.9	18%	0.18	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.7	-34.9	-168.3	-58.2	-83.5	0	0	0	112.5	D209 R210 D211 Y244 Y246 S269	D209-Y213 WeakPolarHBondContact O-CD2 3.17Å; R210-Y213 CarbonylContact O-C 3.6Å; R210-Y213 WeakPolarHBondContact O-CA 3.42Å; R210-Y213 PolarHBondContact O-N 3.16Å; D211-Y213 VanDerWaalsContact C-N 3.32Å; Y213-Y244 HydrophobicContact CD1-CD1 4.28Å; Y213-Y244 HydrophobicContact CD1-CG 4.27Å; Y213-Y244 HydrophobicContact CD2-CD1 4.25Å; Y213-Y244 AromaticContact CD2-CD2 3.87Å; Y213-Y244 HydrophobicContact CD2-CD2 3.87Å; Y213-Y244 AromaticContact CD2-CG 3.63Å; Y213-Y244 HydrophobicContact CD2-CG 3.63Å; Y213-Y244 VanDerWaalsContact CE2-CB 3.45Å; Y213-Y244 HydrophobicContact CE2-CD2 4.43Å; Y213-Y244 HydrophobicContact CE2-CG 4.1Å; Y213-Y244 AromaticContact CG-CD1 3.87Å; Y213-Y244 HydrophobicContact CG-CD1 3.87Å; Y213-Y244 HydrophobicContact CG-CD2 4.3Å; Y213-Y244 AromaticContact CG-CG 3.72Å; Y213-Y244 HydrophobicContact CG-CG 3.72Å; Y213-Y246 WeakPolarHBondContact CA-OH 3.45Å; Y213-Y246 WeakPolarHBondContact O-CE1 3.48Å; Y213-Y246 PolarHBondContact O-OH 3.06Å; Y213-S269 VanDerWaalsContact C-OG 3.28Å; Y213-S269 WeakPolarHBondContact O-CB 3.48Å; Y213-S269 PolarHBondContact O-N 3.31Å; Y213-S269 PolarHBondContact O-OG 3.39Å; Y213-S269 VanDerWaalsContact O-OG 3.11Å
214	V	84.7	Confident	86.4	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	149.2	-179.7	-62.5	0	0	0	0	111.3	R210 D211 Y244 Y246 L266 L267 T268	R210-V214 HydrophobicContact CB-CG2 4.05Å; R210-V214 HydrophobicContact CG-CG2 4.29Å; R210-V214 PolarHBondContact O-N 2.91Å; D211-V214 WeakPolarHBondContact CA-O 3.28Å; V214-Y244 HydrophobicContact CG1-CE1 4.5Å; V214-Y246 HydrophobicContact CG1-CD1 4.39Å; V214-Y246 HydrophobicContact CG1-CE1 3.85Å; V214-L266 HydrophobicContact CB-CD2 4.47Å; V214-L266 HydrophobicContact CG2-CD2 4.27Å; V214-L267 CarbonylContact C-O 3.59Å; V214-L267 VanDerWaalsContact CA-O 3.29Å; V214-L267 WeakPolarHBondContact CA-O 3.49Å; V214-T268 HydrophobicContact CG1-CG2 4.39Å
215	N	87.4	Confident	86	Confident	101 Å²	101	48.2 Å²	48.2	54%	0.54	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	124.5	169.8	-175.9	2.1	0	0	0	109.1	L267	N215-L267 HydrophobicContact CB-CB 4.47Å; N215-L267 PolarHBondContact N-O 3.33Å; N215-L267 PolarHBondContact O-N 3.26Å
216	V	82.5	Confident	85.5	Confident	7 Å²	7	51.3 Å²	51.3	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	118.7	175.4	-177.9	0	0	0	0	109	W218 I221 F229 L266	V216-W218 HydrophobicContact CB-CZ2 4.36Å; V216-W218 HydrophobicContact CG1-CD2 3.83Å; V216-W218 HydrophobicContact CG1-CE3 4.21Å; V216-W218 HydrophobicContact CG1-CG 4.25Å; V216-W218 HydrophobicContact CG1-CH2 4.39Å; V216-W218 HydrophobicContact CG1-CZ2 4.01Å; V216-W218 HydrophobicContact CG1-CZ3 4.48Å; V216-W218 VanDerWaalsContact O-CD1 3.32Å; V216-W218 PolarHBondContact O-N 3.21Å; V216-W218 VanDerWaalsContact O-N 3.17Å; V216-I221 HydrophobicContact CG1-CD1 3.59Å; V216-F229 HydrophobicContact CG1-CB 4.09Å; V216-F229 HydrophobicContact CG1-CD1 3.83Å; V216-F229 HydrophobicContact CG1-CG 4.22Å; V216-L266 HydrophobicContact CG2-CD2 3.86Å
217	V	86.2	Confident	85	Confident	9 Å²	9	54.4 Å²	54.4	6%	0.055	29%	0.286	C	S	.	.			trans	-90.7	75.6	-179.7	-168.5	0	0	0	0	109.6	R219 N220 T265 L267	V217-R219 VanDerWaalsContact C-N 3.26Å; V217-R219 HydrophobicContact CG1-CG 3.91Å; V217-R219 PolarHBondContact O-N 2.86Å; V217-R219 VanDerWaalsContact O-N 3.08Å; V217-N220 HydrophobicContact CB-CB 4.37Å; V217-N220 HydrophobicContact CG1-CB 4.12Å; V217-N220 WeakPolarHBondContact CG1-ND2 3.29Å; V217-N220 WeakPolarHBondContact O-CB 3.38Å; V217-N220 PolarHBondContact O-N 2.83Å; V217-T265 PolarHBondContact N-O 3.08Å; V217-L267 HydrophobicContact CG2-CD1 3.62Å; V217-L267 HydrophobicContact CG2-CG 3.77Å
218	W	86.5	Confident	84.8	Confident	117 Å²	117	56.7 Å²	56.7	44%	0.443	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-48.4	-40.8	-172.9	-63.2	99.1	0	0	0	115.1	V216 N220 I221 L226 F229 L230	V216-W218 HydrophobicContact CB-CZ2 4.36Å; V216-W218 HydrophobicContact CG1-CD2 3.83Å; V216-W218 HydrophobicContact CG1-CE3 4.21Å; V216-W218 HydrophobicContact CG1-CG 4.25Å; V216-W218 HydrophobicContact CG1-CH2 4.39Å; V216-W218 HydrophobicContact CG1-CZ2 4.01Å; V216-W218 HydrophobicContact CG1-CZ3 4.48Å; V216-W218 VanDerWaalsContact O-CD1 3.32Å; V216-W218 PolarHBondContact O-N 3.21Å; V216-W218 VanDerWaalsContact O-N 3.17Å; W218-N220 PolarHBondContact O-N 3.17Å; W218-N220 VanDerWaalsContact O-N 3.16Å; W218-I221 HydrophobicContact CE3-CD1 4.01Å; W218-I221 PolarHBondContact O-N 2.81Å; W218-I221 VanDerWaalsContact O-N 3.13Å; W218-L226 HydrophobicContact CE3-CD2 3.96Å; W218-L226 HydrophobicContact CZ3-CD2 4.5Å; W218-F229 HydrophobicContact CH2-CB 3.9Å; W218-F229 HydrophobicContact CZ3-CB 3.84Å; W218-L230 HydrophobicContact CH2-CD2 4.5Å
219	R	87.4	Confident	84.7	Confident	197 Å²	197	56 Å²	56	74%	0.743	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-61.5	-22.4	179	63.2	171.1	-178.6	-94.8	-0.7	114.7	V217	V217-R219 VanDerWaalsContact C-N 3.26Å; V217-R219 HydrophobicContact CG1-CG 3.91Å; V217-R219 PolarHBondContact O-N 2.86Å; V217-R219 VanDerWaalsContact O-N 3.08Å
220	N	87.4	Confident	84.6	Confident	28 Å²	28	61 Å²	61	15%	0.15	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-90.8	-10.9	-178.7	-71.8	0.9	0	0	0	112.4	V217 W218 A258 K259 L263 Y264 T265	V217-N220 HydrophobicContact CB-CB 4.37Å; V217-N220 HydrophobicContact CG1-CB 4.12Å; V217-N220 WeakPolarHBondContact CG1-ND2 3.29Å; V217-N220 WeakPolarHBondContact O-CB 3.38Å; V217-N220 PolarHBondContact O-N 2.83Å; W218-N220 PolarHBondContact O-N 3.17Å; W218-N220 VanDerWaalsContact O-N 3.16Å; N220-A258 CarbonylContact O-C 3.14Å; N220-A258 WeakPolarHBondContact O-CA 3.36Å; N220-K259 PolarHBondContact O-N 3.5Å; N220-L263 HydrophobicContact CB-CB 4.04Å; N220-L263 HydrophobicContact CB-CD1 4.31Å; N220-Y264 PolarHBondContact ND2-O 2.92Å; N220-T265 HydrophobicContact CB-CG2 4.28Å
221	I	81.6	Confident	84.5	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-85.2	140.4	-176.1	-55.7	171.7	0	0	0	109.4	V216 W218 L226 F229 F257 K259 T265	V216-I221 HydrophobicContact CG1-CD1 3.59Å; W218-I221 HydrophobicContact CE3-CD1 4.01Å; W218-I221 PolarHBondContact O-N 2.81Å; W218-I221 VanDerWaalsContact O-N 3.13Å; I221-L226 HydrophobicContact CB-CD2 3.91Å; I221-L226 HydrophobicContact CG2-CD2 3.97Å; I221-F229 HydrophobicContact CD1-CB 4.22Å; I221-F229 HydrophobicContact CD1-CD1 3.86Å; I221-F229 HydrophobicContact CD1-CD2 3.71Å; I221-F229 HydrophobicContact CD1-CE1 4.1Å; I221-F229 HydrophobicContact CD1-CE2 3.98Å; I221-F229 HydrophobicContact CD1-CG 3.65Å; I221-F229 HydrophobicContact CD1-CZ 4.16Å; I221-F229 HydrophobicContact CG1-CD2 4.44Å; I221-F229 HydrophobicContact CG1-CE2 4.25Å; I221-F229 HydrophobicContact CG1-CZ 4.33Å; I221-F229 HydrophobicContact CG2-CD2 3.88Å; I221-F229 HydrophobicContact CG2-CE2 3.67Å; I221-F229 HydrophobicContact CG2-CZ 4.44Å; I221-F257 WeakPolarHBondContact CA-O 3.14Å; I221-F257 HydrophobicContact CG2-CB 4.37Å; I221-K259 WeakPolarHBondContact O-CE 2.87Å; I221-K259 WeakPolarHBondContact O-CG 3.42Å; I221-T265 HydrophobicContact CB-CG2 4.46Å; I221-T265 HydrophobicContact CG1-CG2 3.71Å
222	D	85.9	Confident	84.4	Confident	71 Å²	71	62.7 Å²	62.7	38%	0.38	32%	0.323	S	S	.	.			trans	-55.3	134.5	169.8	176.2	67.8	0	0	0	111.4	G224 S225 L226 F257	D222-G224 VanDerWaalsContact C-N 3.27Å; D222-G224 PolarHBondContact O-N 2.84Å; D222-G224 PolarHBondContact OD2-N 3.24Å; D222-G224 VanDerWaalsContact OD2-N 3.12Å; D222-S225 PolarHBondContact O-N 3.14Å; D222-S225 PolarHBondContact OD2-OG 3.32Å; D222-L226 PolarHBondContact O-N 2.74Å; D222-F257 PolarHBondContact N-O 3.18Å
223	E	84.6	Confident	83.9	Confident	139 Å²	139	60.7 Å²	60.7	65%	0.65	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-64.5	-32.7	-170.5	-72.9	173.5	-162.4	0	0	112.5	S225 K259	E223-S225 PolarHBondContact O-N 2.9Å; E223-K259 IonicContact OE1-NZ 3.38Å; E223-K259 PolarHBondContact OE1-NZ 3.11Å
224	G	84.2	Confident	83.5	Confident	74 Å²	74	60 Å²	60	76%	0.763	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-72.2	-12.1	175.4	0	0	0	0	0	113.9	D222	D222-G224 VanDerWaalsContact C-N 3.27Å; D222-G224 PolarHBondContact O-N 2.84Å; D222-G224 PolarHBondContact OD2-N 3.24Å; D222-G224 VanDerWaalsContact OD2-N 3.12Å
225	S	86.4	Confident	82.9	Confident	21 Å²	21	65.8 Å²	65.8	15%	0.147	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-111.1	2.2	-171.1	-56.9	0	0	0	0	113.7	D222 E223 A227 Q228	D222-S225 PolarHBondContact O-N 3.14Å; D222-S225 PolarHBondContact OD2-OG 3.32Å; E223-S225 PolarHBondContact O-N 2.9Å; S225-A227 PolarHBondContact O-N 2.97Å; S225-A227 VanDerWaalsContact O-N 3.17Å; S225-Q228 VanDerWaalsContact O-CB 3.23Å; S225-Q228 WeakPolarHBondContact O-CB 3.4Å; S225-Q228 PolarHBondContact O-N 3.27Å
226	L	80.9	Confident	81.9	Confident	65 Å²	65	62.2 Å²	62.2	34%	0.34	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-56.7	-36.1	-176.3	-64.8	172	0	0	0	113.1	W218 I221 D222 Q228 F229	W218-L226 HydrophobicContact CE3-CD2 3.96Å; W218-L226 HydrophobicContact CZ3-CD2 4.5Å; I221-L226 HydrophobicContact CB-CD2 3.91Å; I221-L226 HydrophobicContact CG2-CD2 3.97Å; D222-L226 PolarHBondContact O-N 2.74Å; L226-Q228 PolarHBondContact O-N 3.34Å; L226-F229 PolarHBondContact O-N 2.74Å; L226-F229 VanDerWaalsContact O-N 3.12Å
227	A	78.5	Confident	81.7	Confident	69 Å²	69	62 Å²	62	57%	0.57	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-61	-28.4	179	0	0	0	0	0	113.1	S225 F229 L230	S225-A227 PolarHBondContact O-N 2.97Å; S225-A227 VanDerWaalsContact O-N 3.17Å; A227-F229 PolarHBondContact O-N 3.17Å; A227-F229 VanDerWaalsContact O-N 3.17Å; A227-L230 HydrophobicContact CB-CD1 4.37Å; A227-L230 WeakPolarHBondContact O-CB 3.46Å; A227-L230 WeakPolarHBondContact O-CG 3.04Å; A227-L230 PolarHBondContact O-N 2.02Å
228	Q	83.1	Confident	81.5	Confident	50 Å²	50	63.4 Å²	63.4	23%	0.234	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-65.8	-16.9	178.3	-63.1	-64.7	-31.1	0	0	113.2	S71 S225 L226 Y252 F257	S71-Q228 PolarHBondContact OG-NE2 3.4Å; S71-Q228 PolarHBondContact OG-OE1 2.86Å; S225-Q228 VanDerWaalsContact O-CB 3.23Å; S225-Q228 WeakPolarHBondContact O-CB 3.4Å; S225-Q228 PolarHBondContact O-N 3.27Å; L226-Q228 PolarHBondContact O-N 3.34Å; Q228-Y252 PolarHBondContact OE1-OH 3.19Å; Q228-F257 HydrophobicContact CB-CE2 4.45Å; Q228-F257 HydrophobicContact CG-CE1 4.27Å; Q228-F257 HydrophobicContact CG-CZ 4.31Å
229	F	83.1	Confident	81.3	Confident	0 Å²	0	58 Å²	58	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-103.4	11	177.9	-67.5	-101.5	0	0	0	111.8	R210 V216 W218 I221 L226 A227 Y252 A256 F257 L266	R210-F229 PolarHBondContact NH1-O 2.87Å; R210-F229 PolarHBondContact NH2-O 2.8Å; V216-F229 HydrophobicContact CG1-CB 4.09Å; V216-F229 HydrophobicContact CG1-CD1 3.83Å; V216-F229 HydrophobicContact CG1-CG 4.22Å; W218-F229 HydrophobicContact CH2-CB 3.9Å; W218-F229 HydrophobicContact CZ3-CB 3.84Å; I221-F229 HydrophobicContact CD1-CB 4.22Å; I221-F229 HydrophobicContact CD1-CD1 3.86Å; I221-F229 HydrophobicContact CD1-CD2 3.71Å; I221-F229 HydrophobicContact CD1-CE1 4.1Å; I221-F229 HydrophobicContact CD1-CE2 3.98Å; I221-F229 HydrophobicContact CD1-CG 3.65Å; I221-F229 HydrophobicContact CD1-CZ 4.16Å; I221-F229 HydrophobicContact CG1-CD2 4.44Å; I221-F229 HydrophobicContact CG1-CE2 4.25Å; I221-F229 HydrophobicContact CG1-CZ 4.33Å; I221-F229 HydrophobicContact CG2-CD2 3.88Å; I221-F229 HydrophobicContact CG2-CE2 3.67Å; I221-F229 HydrophobicContact CG2-CZ 4.44Å; L226-F229 PolarHBondContact O-N 2.74Å; L226-F229 VanDerWaalsContact O-N 3.12Å; A227-F229 PolarHBondContact O-N 3.17Å; A227-F229 VanDerWaalsContact O-N 3.17Å; F229-Y252 HydrophobicContact CE1-CD2 4.36Å; F229-Y252 HydrophobicContact CZ-CD2 4.33Å; F229-A256 WeakPolarHBondContact CZ-O 3.19Å; F229-F257 HydrophobicContact CE2-CB 3.8Å; F229-F257 AromaticContact CE2-CD2 3.69Å; F229-F257 HydrophobicContact CE2-CD2 3.69Å; F229-F257 HydrophobicContact CE2-CG 4.03Å; F229-F257 HydrophobicContact CZ-CB 4.19Å; F229-F257 AromaticContact CZ-CD2 3.88Å; F229-F257 HydrophobicContact CZ-CD2 3.88Å; F229-F257 HydrophobicContact CZ-CG 4.48Å; F229-L266 HydrophobicContact CD1-CD2 4.35Å; F229-L266 HydrophobicContact CD1-CG 4.49Å; F229-L266 HydrophobicContact CE1-CD1 4.09Å; F229-L266 HydrophobicContact CE1-CD2 4.31Å; F229-L266 HydrophobicContact CE1-CG 3.96Å
230	L	83.8	Confident	81.2	Confident	105 Å²	105	53.2 Å²	53.2	55%	0.55	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-67.4	155.3	171.5	-65.8	175	0	0	0	110.5	R210 W218 A227	R210-L230 VanDerWaalsContact NH1-C 3.35Å; R210-L230 PolarHBondContact NH1-O 3.43Å; W218-L230 HydrophobicContact CH2-CD2 4.5Å; A227-L230 HydrophobicContact CB-CD1 4.37Å; A227-L230 WeakPolarHBondContact O-CB 3.46Å; A227-L230 WeakPolarHBondContact O-CG 3.04Å; A227-L230 PolarHBondContact O-N 2.02Å
231	K	84	Confident	81.1	Confident	90 Å²	90	55 Å²	55	39%	0.391	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-85.5	138	172.2	-69.2	-178.3	-64.7	-169.5	0	108	S206 R210 D211	S206-K231 CarbonylContact O-C 3.23Å; S206-K231 WeakPolarHBondContact O-CA 3.06Å; R210-K231 HydrophobicContact CG-CD 3.97Å; R210-K231 HydrophobicContact CG-CG 4.18Å; R210-K231 VanDerWaalsContact NE-CG 3.28Å; D211-K231 IonicContact OD2-NZ 2.9Å; D211-K231 PolarHBondContact OD2-NZ 2.92Å
232	E	83.6	Confident	81.6	Confident	32 Å²	32	55.2 Å²	55.2	15%	0.15	31%	0.313	C	S	.	.	P	Polyproline II helix	trans	-60.5	152.4	162	-63.9	-50.8	140.8	0	0	110.1	W202 S206 P208 V237	W202-E232 HydrophobicContact CB-CG 4.15Å; W202-E232 HydrophobicContact CD2-CG 4.01Å; W202-E232 HydrophobicContact CE3-CG 4.24Å; W202-E232 HydrophobicContact CG-CG 3.95Å; S206-E232 PolarHBondContact O-N 3.2Å; P208-E232 WeakPolarHBondContact CG-O 3.25Å; E232-V237 HydrophobicContact CB-CG2 3.37Å; E232-V237 HydrophobicContact CG-CG2 4.13Å
233	Q	75.1	Confident	81.8	Confident	49 Å²	49	53.4 Å²	53.4	23%	0.229	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-77.7	150.9	-178.3	-57.5	-164.7	10.1	0	0	111.8	T86 R235 E236 V237	T86-Q233 VanDerWaalsContact CG2-CD 3.47Å; Q233-R235 HydrophobicContact CB-CG 4.25Å; Q233-R235 PolarHBondContact O-N 2.78Å; Q233-E236 WeakPolarHBondContact CB-OE2 3.32Å; Q233-E236 WeakPolarHBondContact CG-OE2 3.5Å; Q233-E236 PolarHBondContact N-OE2 3.12Å; Q233-E236 PolarHBondContact O-N 3.42Å; Q233-E236 VanDerWaalsContact O-N 3.12Å; Q233-V237 VanDerWaalsContact O-CG2 3.32Å; Q233-V237 WeakPolarHBondContact O-CG2 3.29Å
234	S	76.2	Confident	82	Confident	33 Å²	33	46.9 Å²	46.9	23%	0.231	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-9.5	175.6	-69.7	0	0	0	0	113.4	R97 P208	R97-S234 WeakPolarHBondContact CD-O 3.36Å; R97-S234 PolarHBondContact NE-O 3.08Å; R97-S234 PolarHBondContact NH1-O 2.99Å; P208-S234 WeakPolarHBondContact CB-OG 3.45Å
235	R	71.9	Confident	82.5	Confident	123 Å²	123	43.4 Å²	43.4	46%	0.464	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-17.6	177	67.2	-166.5	-177.2	111.6	47.7	113.5	T86 A101 Q233 V237	T86-R235 VanDerWaalsContact CB-NH2 3.28Å; T86-R235 VanDerWaalsContact OG1-CZ 3.3Å; T86-R235 PolarHBondContact OG1-NH1 3.15Å; T86-R235 PolarHBondContact OG1-NH2 3.08Å; A101-R235 WeakPolarHBondContact CB-O 3.48Å; Q233-R235 HydrophobicContact CB-CG 4.25Å; Q233-R235 PolarHBondContact O-N 2.78Å; R235-V237 VanDerWaalsContact C-N 3.31Å
236	E	67.9	Low	82.9	Confident	27 Å²	27	43.4 Å²	43.4	13%	0.126	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-6.4	-176.7	-77.7	151	-168.5	0	0	112.6	I100 A101 Q233	I100-E236 CarbonylContact C-O 3.5Å; I100-E236 VanDerWaalsContact CA-O 3.31Å; I100-E236 WeakPolarHBondContact CA-O 3.35Å; A101-E236 PolarHBondContact N-O 3.15Å; Q233-E236 WeakPolarHBondContact CB-OE2 3.32Å; Q233-E236 WeakPolarHBondContact CG-OE2 3.5Å; Q233-E236 PolarHBondContact N-OE2 3.12Å; Q233-E236 PolarHBondContact O-N 3.42Å; Q233-E236 VanDerWaalsContact O-N 3.12Å
237	V	77.4	Confident	83.6	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	149.8	-164.9	-159.7	0	0	0	0	110.5	R97 K98 F99 E232 Q233 R235	R97-V237 HydrophobicContact CB-CB 3.61Å; R97-V237 HydrophobicContact CB-CG1 3.91Å; R97-V237 WeakPolarHBondContact CB-O 3.46Å; R97-V237 WeakPolarHBondContact CD-O 3.49Å; R97-V237 WeakPolarHBondContact CG-O 3.33Å; R97-V237 PolarHBondContact NE-O 3.34Å; R97-V237 VanDerWaalsContact O-CG1 3.23Å; R97-V237 WeakPolarHBondContact O-CG1 3.42Å; K98-V237 VanDerWaalsContact O-CG1 3.22Å; K98-V237 WeakPolarHBondContact O-CG1 3.49Å; F99-V237 CarbonylContact O-C 3.53Å; F99-V237 WeakPolarHBondContact O-CA 3.09Å; E232-V237 HydrophobicContact CB-CG2 3.37Å; E232-V237 HydrophobicContact CG-CG2 4.13Å; Q233-V237 VanDerWaalsContact O-CG2 3.32Å; Q233-V237 WeakPolarHBondContact O-CG2 3.29Å; R235-V237 VanDerWaalsContact C-N 3.31Å
238	D	81.6	Confident	84.5	Confident	40 Å²	40	37 Å²	37	21%	0.214	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	118.5	174.7	-175	2.2	0	0	0	110.3	K98 F99 K240	K98-D238 PolarHBondContact N-O 3.29Å; F99-D238 WeakPolarHBondContact CB-O 3.49Å; F99-D238 PolarHBondContact N-O 3.47Å; F99-D238 PolarHBondContact O-N 2.99Å; D238-K240 PolarHBondContact OD1-N 2.75Å; D238-K240 WeakPolarHBondContact OD2-CD 3.42Å; D238-K240 WeakPolarHBondContact OD2-CE 3.46Å; D238-K240 IonicContact OD2-NZ 3.74Å; D238-K240 PolarHBondContact OD2-NZ 3.05Å
239	S	82.4	Confident	85.1	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.014	18%	0.182	C	C	.	.			trans	-96.5	-9.8	-177.6	65	0	0	0	0	112.2	K96 R97 G241 I242 L290	K96-S239 VanDerWaalsContact C-OG 3.25Å; K96-S239 WeakPolarHBondContact O-CB 3.16Å; K96-S239 PolarHBondContact O-OG 2.97Å; R97-S239 VanDerWaalsContact CA-CB 3.43Å; R97-S239 VanDerWaalsContact CA-N 3.32Å; S239-G241 PolarHBondContact O-N 3.48Å; S239-G241 PolarHBondContact OG-N 3.41Å; S239-G241 VanDerWaalsContact OG-N 3.1Å; S239-I242 VanDerWaalsContact O-CB 3.29Å; S239-I242 WeakPolarHBondContact O-CB 3.32Å; S239-I242 PolarHBondContact O-N 3.39Å; S239-L290 WeakPolarHBondContact O-CD1 3.5Å
240	K	85.6	Confident	85.7	Confident	98 Å²	98	34.7 Å²	34.7	43%	0.426	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	27.1	-166.7	-58.6	-62	-168.3	-159	0	113.6	D238 I242 L290 E293 I294	D238-K240 PolarHBondContact OD1-N 2.75Å; D238-K240 WeakPolarHBondContact OD2-CD 3.42Å; D238-K240 WeakPolarHBondContact OD2-CE 3.46Å; D238-K240 IonicContact OD2-NZ 3.74Å; D238-K240 PolarHBondContact OD2-NZ 3.05Å; K240-I242 PolarHBondContact O-N 3.12Å; K240-L290 HydrophobicContact CB-CD1 4.07Å; K240-L290 HydrophobicContact CG-CD1 3.95Å; K240-E293 HydrophobicContact CB-CB 3.96Å; K240-E293 HydrophobicContact CB-CG 4.45Å; K240-E293 HydrophobicContact CG-CB 3.86Å; K240-I294 HydrophobicContact CD-CG1 4.49Å; K240-I294 HydrophobicContact CG-CG1 3.89Å
241	G	85.8	Confident	86.2	Confident	65 Å²	65	29.7 Å²	29.7	67%	0.67	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.1	3.8	-176.8	0	0	0	0	0	114.8	S239	S239-G241 PolarHBondContact O-N 3.48Å; S239-G241 PolarHBondContact OG-N 3.41Å; S239-G241 VanDerWaalsContact OG-N 3.1Å
242	I	91.5	Very high	86.6	Confident	5 Å²	5	25.7 Å²	25.7	3%	0.026	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-71.6	126.5	177.9	-61.9	174.2	0	0	0	109.2	R207 S239 K240 N286 R289 L290 E293	R207-I242 PolarHBondContact NH1-O 2.98Å; R207-I242 PolarHBondContact NH2-O 3.04Å; S239-I242 VanDerWaalsContact O-CB 3.29Å; S239-I242 WeakPolarHBondContact O-CB 3.32Å; S239-I242 PolarHBondContact O-N 3.39Å; K240-I242 PolarHBondContact O-N 3.12Å; I242-N286 HydrophobicContact CG2-CB 3.85Å; I242-R289 HydrophobicContact CD1-CB 4.09Å; I242-R289 HydrophobicContact CD1-CG 3.74Å; I242-L290 HydrophobicContact CD1-CB 3.66Å; I242-L290 HydrophobicContact CD1-CD1 3.97Å; I242-L290 HydrophobicContact CD1-CG 4.4Å; I242-E293 HydrophobicContact CD1-CG 4.26Å
243	P	89.7	Confident	87	Confident	33 Å²	33	25.8 Å²	25.8	21%	0.214	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-64.1	162.1	-178.3	28.6	-38.8	0	0	0	112.4	R207 D245 N414	R207-P243 PolarHBondContact NH1-O 3.14Å; P243-D245 PolarHBondContact O-N 2.77Å; P243-N414 VanDerWaalsContact CG-ND2 3.28Å; P243-N414 WeakPolarHBondContact CG-ND2 3.27Å; P243-N414 WeakPolarHBondContact CG-OD1 3.31Å
244	Y	89	Confident	87.7	Confident	2 Å²	2	23.5 Å²	23.5	1%	0.008	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-57.9	131.3	172.2	-167.9	-80	0	0	0	110.3	E204 Q205 R207 R210 Y213 V214 Y246 H251 N414	E204-Y244 HydrophobicContact CG-CD1 4.26Å; E204-Y244 HydrophobicContact CG-CD2 4.19Å; E204-Y244 HydrophobicContact CG-CE1 3.91Å; E204-Y244 HydrophobicContact CG-CE2 3.86Å; E204-Y244 HydrophobicContact CG-CG 4.38Å; E204-Y244 WeakPolarHBondContact O-CE2 3.13Å; E204-Y244 WeakPolarHBondContact OE1-CA 3.37Å; Q205-Y244 WeakPolarHBondContact CA-OH 3.44Å; R207-Y244 HydrophobicContact CB-CD2 4.37Å; R207-Y244 HydrophobicContact CB-CE2 4.39Å; R210-Y244 HydrophobicContact CB-CD2 4.48Å; R210-Y244 HydrophobicContact CB-CE2 3.74Å; Y213-Y244 HydrophobicContact CD1-CD1 4.28Å; Y213-Y244 HydrophobicContact CD1-CG 4.27Å; Y213-Y244 HydrophobicContact CD2-CD1 4.25Å; Y213-Y244 AromaticContact CD2-CD2 3.87Å; Y213-Y244 HydrophobicContact CD2-CD2 3.87Å; Y213-Y244 AromaticContact CD2-CG 3.63Å; Y213-Y244 HydrophobicContact CD2-CG 3.63Å; Y213-Y244 VanDerWaalsContact CE2-CB 3.45Å; Y213-Y244 HydrophobicContact CE2-CD2 4.43Å; Y213-Y244 HydrophobicContact CE2-CG 4.1Å; Y213-Y244 AromaticContact CG-CD1 3.87Å; Y213-Y244 HydrophobicContact CG-CD1 3.87Å; Y213-Y244 HydrophobicContact CG-CD2 4.3Å; Y213-Y244 AromaticContact CG-CG 3.72Å; Y213-Y244 HydrophobicContact CG-CG 3.72Å; V214-Y244 HydrophobicContact CG1-CE1 4.5Å; Y244-Y246 HydrophobicContact CD1-CD1 4.4Å; Y244-Y246 AromaticContact CE1-CD1 3.96Å; Y244-Y246 HydrophobicContact CE1-CD1 3.96Å; Y244-Y246 HydrophobicContact CE1-CE1 4.17Å; Y244-H251 AromaticContact CE1-CD2 3.72Å; Y244-H251 AromaticContact CE1-NE2 3.68Å; Y244-H251 AromaticContact CZ-CD2 3.75Å; Y244-H251 AromaticContact CZ-NE2 3.6Å; Y244-H251 PolarHBondContact OH-CD2 3.37Å; Y244-H251 PolarHBondContact OH-NE2 3.45Å; Y244-N414 PolarHBondContact O-ND2 3.18Å; Y244-N414 VanDerWaalsContact O-ND2 3.08Å
245	D	95.5	Very high	88.4	Confident	2 Å²	2	23.4 Å²	23.4	1%	0.011	12%	0.122	C	C	.	.			trans	-119.5	106.4	-177.3	-174.4	13.5	0	0	0	111.2	E204 P243 G247 S248 S284 N286 T415	E204-D245 PolarHBondContact OE1-N 3.13Å; P243-D245 PolarHBondContact O-N 2.77Å; D245-G247 PolarHBondContact O-N 2.86Å; D245-G247 VanDerWaalsContact O-N 3.15Å; D245-G247 PolarHBondContact OD1-N 2.6Å; D245-G247 VanDerWaalsContact OD1-N 3.12Å; D245-S248 WeakPolarHBondContact O-CB 3.42Å; D245-S248 PolarHBondContact O-N 3.04Å; D245-S284 WeakPolarHBondContact OD2-CB 3.37Å; D245-S284 PolarHBondContact OD2-OG 2.91Å; D245-N286 HydrophobicContact CB-CB 4.32Å; D245-T415 WeakPolarHBondContact OD1-CB 3.04Å; D245-T415 PolarHBondContact OD1-N 2.69Å; D245-T415 VanDerWaalsContact OD1-N 3.12Å; D245-T415 PolarHBondContact OD1-OG1 3.36Å; D245-T415 PolarHBondContact OD2-OG1 3.21Å
246	Y	95	Very high	89.1	Confident	21 Å²	21	18 Å²	18	8%	0.082	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-30.1	176.4	-66.2	-71.4	0	0	0	112.7	Y213 V214 Y244 S248 T268 Y273 I277	Y213-Y246 WeakPolarHBondContact CA-OH 3.45Å; Y213-Y246 WeakPolarHBondContact O-CE1 3.48Å; Y213-Y246 PolarHBondContact O-OH 3.06Å; V214-Y246 HydrophobicContact CG1-CD1 4.39Å; V214-Y246 HydrophobicContact CG1-CE1 3.85Å; Y244-Y246 HydrophobicContact CD1-CD1 4.4Å; Y244-Y246 AromaticContact CE1-CD1 3.96Å; Y244-Y246 HydrophobicContact CE1-CD1 3.96Å; Y244-Y246 HydrophobicContact CE1-CE1 4.17Å; Y246-S248 VanDerWaalsContact C-N 3.32Å; Y246-T268 HydrophobicContact CD1-CG2 3.8Å; Y246-T268 HydrophobicContact CE1-CG2 3.66Å; Y246-Y273 AromaticContact CD2-CD1 3.22Å; Y246-Y273 HydrophobicContact CD2-CD1 3.22Å; Y246-Y273 HydrophobicContact CD2-CD2 4.47Å; Y246-Y273 AromaticContact CD2-CE1 3.65Å; Y246-Y273 HydrophobicContact CD2-CE1 3.65Å; Y246-Y273 AromaticContact CD2-CG 3.67Å; Y246-Y273 HydrophobicContact CD2-CG 3.67Å; Y246-Y273 AromaticContact CE2-CD1 3.81Å; Y246-Y273 HydrophobicContact CE2-CD1 3.81Å; Y246-Y273 HydrophobicContact CE2-CD2 4.25Å; Y246-Y273 HydrophobicContact CE2-CE1 4.19Å; Y246-Y273 AromaticContact CE2-CG 3.81Å; Y246-Y273 HydrophobicContact CE2-CG 3.81Å; Y246-Y273 AromaticContact CG-CD1 3.8Å; Y246-Y273 HydrophobicContact CG-CD1 3.8Å; Y246-Y273 HydrophobicContact CG-CG 4.24Å; Y246-I277 HydrophobicContact CD1-CG2 3.56Å; Y246-I277 HydrophobicContact CG-CG2 4.12Å; Y246-I277 WeakPolarHBondContact O-CA 3.26Å
247	G	95.6	Very high	90.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	3.8	179.1	0	0	0	0	0	114.7	D245 I249 Q279 S284 T415	D245-G247 PolarHBondContact O-N 2.86Å; D245-G247 VanDerWaalsContact O-N 3.15Å; D245-G247 PolarHBondContact OD1-N 2.6Å; D245-G247 VanDerWaalsContact OD1-N 3.12Å; G247-I249 PolarHBondContact O-N 2.87Å; G247-Q279 PolarHBondContact O-NE2 2.87Å; G247-S284 WeakPolarHBondContact O-CB 3.07Å; G247-T415 WeakPolarHBondContact CA-OG1 3.35Å
248	S	97.2	Very high	90.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.109	C	C	.	.			trans	-50.9	132.4	173.1	173.4	0	0	0	0	110.1	K98 E204 D245 Y246 M250 H251 D287	K98-S248 PolarHBondContact NZ-OG 3.42Å; E204-S248 VanDerWaalsContact OE2-CB 3.23Å; E204-S248 WeakPolarHBondContact OE2-CB 3.39Å; E204-S248 PolarHBondContact OE2-OG 2.83Å; D245-S248 WeakPolarHBondContact O-CB 3.42Å; D245-S248 PolarHBondContact O-N 3.04Å; Y246-S248 VanDerWaalsContact C-N 3.32Å; S248-M250 PolarHBondContact O-N 2.98Å; S248-M250 VanDerWaalsContact O-N 3.14Å; S248-M250 WeakPolarHBondContact OG-CB 3.41Å; S248-M250 PolarHBondContact OG-N 2.95Å; S248-H251 WeakPolarHBondContact O-CB 2.99Å; S248-H251 PolarHBondContact O-N 3.29Å; S248-H251 VanDerWaalsContact O-N 3.08Å; S248-D287 WeakPolarHBondContact CA-OD2 3.31Å; S248-D287 PolarHBondContact OG-OD1 2.94Å; S248-D287 VanDerWaalsContact OG-OD1 3.04Å
249	I	95.7	Very high	90.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.6	173.7	-152.2	171.7	0	0	0	110.7	G189 A192 H193 G247 H251 R280 L283 D287	G189-I249 WeakPolarHBondContact O-CD1 3.32Å; A192-I249 HydrophobicContact CB-CD1 4.46Å; H193-I249 HydrophobicContact CB-CD1 4.3Å; H193-I249 HydrophobicContact CB-CG1 4.27Å; H193-I249 HydrophobicContact CB-CG2 4.44Å; H193-I249 PolarHBondContact CE1-O 3.37Å; H193-I249 PolarHBondContact ND1-O 2.93Å; G247-I249 PolarHBondContact O-N 2.87Å; I249-H251 VanDerWaalsContact C-N 3.26Å; I249-H251 PolarHBondContact O-N 3.28Å; I249-R280 PolarHBondContact O-NH1 3.25Å; I249-R280 VanDerWaalsContact O-NH1 3.12Å; I249-L283 HydrophobicContact CB-CD2 4.37Å; I249-L283 HydrophobicContact CD1-CD2 4.28Å; I249-L283 HydrophobicContact CG2-CD2 3.64Å; I249-D287 PolarHBondContact N-OD2 3.47Å
250	M	95.1	Very high	90.7	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	4.7	-180	-51.6	-51	-59.6	0	0	113.2	A196 H197 F201 H203 E204 Q205 S248	A196-M250 HydrophobicContact CB-CE 4.37Å; A196-M250 HydrophobicContact CB-SD 3.65Å; H197-M250 WeakPolarHBondContact CE1-CE 3.42Å; H197-M250 WeakPolarHBondContact ND1-CE 3.31Å; H197-M250 VanDerWaalsContact NE2-CE 3.3Å; H197-M250 WeakPolarHBondContact NE2-CE 3.13Å; F201-M250 HydrophobicContact CB-CE 3.92Å; F201-M250 HydrophobicContact CB-CG 3.97Å; F201-M250 HydrophobicContact CB-SD 4.18Å; F201-M250 HydrophobicContact CD1-CG 3.78Å; F201-M250 HydrophobicContact CD1-SD 4.08Å; F201-M250 HydrophobicContact CG-CG 4.12Å; H203-M250 CarbonylContact C-O 3.56Å; H203-M250 VanDerWaalsContact CA-O 3.23Å; H203-M250 WeakPolarHBondContact CA-O 3.35Å; H203-M250 WeakPolarHBondContact CB-O 3.45Å; E204-M250 PolarHBondContact N-O 2.88Å; Q205-M250 PolarHBondContact OE1-O 2.04Å; S248-M250 PolarHBondContact O-N 2.98Å; S248-M250 VanDerWaalsContact O-N 3.14Å; S248-M250 WeakPolarHBondContact OG-CB 3.41Å; S248-M250 PolarHBondContact OG-N 2.95Å
251	H	95.3	Very high	90.2	Very high	0 Å²	0	24 Å²	24	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-88.8	136	178.3	-160.6	-59.1	0	0	0	111.4	E204 Y244 S248 I249 I277 R280	E204-H251 HydrophobicContact CB-CB 3.86Å; E204-H251 HydrophobicContact CG-CB 4.5Å; Y244-H251 AromaticContact CE1-CD2 3.72Å; Y244-H251 AromaticContact CE1-NE2 3.68Å; Y244-H251 AromaticContact CZ-CD2 3.75Å; Y244-H251 AromaticContact CZ-NE2 3.6Å; Y244-H251 PolarHBondContact OH-CD2 3.37Å; Y244-H251 PolarHBondContact OH-NE2 3.45Å; S248-H251 WeakPolarHBondContact O-CB 2.99Å; S248-H251 PolarHBondContact O-N 3.29Å; S248-H251 VanDerWaalsContact O-N 3.08Å; I249-H251 VanDerWaalsContact C-N 3.26Å; I249-H251 PolarHBondContact O-N 3.28Å; H251-I277 WeakPolarHBondContact NE2-CG2 3.2Å; H251-R280 PolarHBondContact O-NH1 3.03Å; H251-R280 PolarHBondContact O-NH2 3.43Å
252	Y	91.7	Very high	90	Very high	7 Å²	7	26.1 Å²	26.1	3%	0.027	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-60.4	155	170	-81.8	2.4	0	0	0	113.3	H203 Q205 Q228 F229 A256 F257 G278	H203-Y252 AromaticContact CD2-CE1 3.73Å; H203-Y252 AromaticContact CE1-CE1 3.43Å; H203-Y252 VanDerWaalsContact CE1-CE1 3.43Å; H203-Y252 WeakPolarHBondContact CE1-CE1 3.02Å; H203-Y252 AromaticContact CE1-CZ 3.67Å; H203-Y252 PolarHBondContact CE1-OH 3.27Å; H203-Y252 VanDerWaalsContact CE1-OH 3.22Å; H203-Y252 AromaticContact CG-CE1 3.86Å; H203-Y252 AromaticContact ND1-CE1 3.71Å; H203-Y252 AromaticContact ND1-CZ 3.82Å; H203-Y252 AromaticContact NE2-CE1 3.46Å; H203-Y252 WeakPolarHBondContact NE2-CE1 3.32Å; Q205-Y252 HydrophobicContact CG-CD2 3.86Å; Q205-Y252 HydrophobicContact CG-CG 3.96Å; Q205-Y252 VanDerWaalsContact NE2-CE1 3.28Å; Q205-Y252 VanDerWaalsContact NE2-CZ 3.28Å; Q228-Y252 PolarHBondContact OE1-OH 3.19Å; F229-Y252 HydrophobicContact CE1-CD2 4.36Å; F229-Y252 HydrophobicContact CZ-CD2 4.33Å; Y252-A256 HydrophobicContact CD2-CB 4.21Å; Y252-A256 HydrophobicContact CG-CB 4.32Å; Y252-F257 HydrophobicContact CD2-CD2 4.37Å; Y252-F257 HydrophobicContact CD2-CE2 4.06Å; Y252-F257 HydrophobicContact CE1-CE2 4.48Å; Y252-F257 HydrophobicContact CE2-CD2 4.03Å; Y252-F257 AromaticContact CE2-CE2 3.46Å; Y252-F257 HydrophobicContact CE2-CE2 3.46Å; Y252-F257 VanDerWaalsContact CE2-CE2 3.46Å; Y252-F257 HydrophobicContact CE2-CZ 4.45Å; Y252-F257 AromaticContact CZ-CE2 3.71Å; Y252-G278 WeakPolarHBondContact O-CA 3.44Å; Y252-G278 PolarHBondContact O-N 3.06Å
253	R	91.2	Very high	89.9	Confident	34 Å²	34	28.9 Å²	28.9	13%	0.128	16%	0.161	C	C	.	.	P	Polyproline II helix	trans	-65.9	154.2	167.6	-62	179.1	-163.6	-71.4	-8.6	110.4	D66 D68 K255 A256 G278	D66-R253 IonicContact OD1-NE 3.85Å; D66-R253 WeakPolarHBondContact OD2-CD 3.24Å; D66-R253 IonicContact OD2-NE 3.2Å; D66-R253 PolarHBondContact OD2-NE 2.81Å; D68-R253 IonicContact OD2-CZ 3.56Å; D68-R253 IonicContact OD2-NE 3.53Å; D68-R253 PolarHBondContact OD2-NE 3.34Å; D68-R253 IonicContact OD2-NH2 2.77Å; D68-R253 PolarHBondContact OD2-NH2 3.08Å; R253-K255 PolarHBondContact O-N 3.3Å; R253-K255 VanDerWaalsContact O-N 3.15Å; R253-A256 HydrophobicContact CB-CB 4.47Å; R253-A256 WeakPolarHBondContact O-CB 3.12Å; R253-A256 PolarHBondContact O-N 3.28Å; R253-G278 PolarHBondContact NH1-O 2.95Å
254	S	91.1	Very high	89.8	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.007	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.5	-177.6	62.8	0	0	0	0	115.1	Y264 T265 L266	S254-Y264 CarbonylContact O-C 3.5Å; S254-Y264 WeakPolarHBondContact O-CA 3.44Å; S254-Y264 WeakPolarHBondContact OG-CE1 3.42Å; S254-T265 PolarHBondContact O-N 3.48Å; S254-T265 PolarHBondContact O-OG1 2.92Å; S254-L266 PolarHBondContact O-N 2.87Å
255	K	89.3	Confident	89.6	Confident	30 Å²	30	31 Å²	31	13%	0.13	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	17	-179.3	-54.1	-171.7	-179.4	170.3	0	113.3	R253 F257 A258 G261 D262 L263 Y264 E396	R253-K255 PolarHBondContact O-N 3.3Å; R253-K255 VanDerWaalsContact O-N 3.15Å; K255-F257 PolarHBondContact O-N 3.04Å; K255-A258 WeakPolarHBondContact O-CB 3.38Å; K255-A258 PolarHBondContact O-N 2.99Å; K255-G261 WeakPolarHBondContact CD-O 3.38Å; K255-G261 PolarHBondContact NZ-O 3.05Å; K255-D262 WeakPolarHBondContact CE-O 2.97Å; K255-D262 IonicContact NZ-OD1 2.69Å; K255-D262 PolarHBondContact NZ-OD1 2.91Å; K255-L263 WeakPolarHBondContact CA-O 3.33Å; K255-L263 WeakPolarHBondContact CB-O 3.23Å; K255-L263 WeakPolarHBondContact CG-O 3.36Å; K255-Y264 HydrophobicContact CG-CD1 3.88Å; K255-Y264 HydrophobicContact CG-CE1 4.16Å; K255-Y264 HydrophobicContact CG-CG 4.44Å; K255-E396 WeakPolarHBondContact CE-O 3.33Å; K255-E396 PolarHBondContact NZ-O 3.17Å
256	A	88.6	Confident	89.2	Confident	9 Å²	9	30.9 Å²	30.9	7%	0.074	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	139.7	-177.9	0	0	0	0	0	110.9	F229 Y252 R253 A258 T265	F229-A256 WeakPolarHBondContact CZ-O 3.19Å; Y252-A256 HydrophobicContact CD2-CB 4.21Å; Y252-A256 HydrophobicContact CG-CB 4.32Å; R253-A256 HydrophobicContact CB-CB 4.47Å; R253-A256 WeakPolarHBondContact O-CB 3.12Å; R253-A256 PolarHBondContact O-N 3.28Å; A256-A258 PolarHBondContact O-N 3.36Å; A256-A258 VanDerWaalsContact O-N 3.14Å; A256-T265 PolarHBondContact N-OG1 3.08Å; A256-T265 WeakPolarHBondContact O-CB 3.5Å; A256-T265 VanDerWaalsContact O-CG2 3.23Å; A256-T265 WeakPolarHBondContact O-CG2 3.41Å; A256-T265 PolarHBondContact O-OG1 3.38Å
257	F	88.2	Confident	88.9	Confident	18 Å²	18	33.1 Å²	33.1	8%	0.079	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	30.6	178.7	-51.1	-87.6	0	0	0	114.6	G69 I221 D222 Q228 F229 Y252 K255	G69-F257 VanDerWaalsContact O-CD1 3.26Å; G69-F257 WeakPolarHBondContact O-CD1 3.27Å; G69-F257 WeakPolarHBondContact O-CE1 3.24Å; I221-F257 WeakPolarHBondContact CA-O 3.14Å; I221-F257 HydrophobicContact CG2-CB 4.37Å; D222-F257 PolarHBondContact N-O 3.18Å; Q228-F257 HydrophobicContact CB-CE2 4.45Å; Q228-F257 HydrophobicContact CG-CE1 4.27Å; Q228-F257 HydrophobicContact CG-CZ 4.31Å; F229-F257 HydrophobicContact CE2-CB 3.8Å; F229-F257 AromaticContact CE2-CD2 3.69Å; F229-F257 HydrophobicContact CE2-CD2 3.69Å; F229-F257 HydrophobicContact CE2-CG 4.03Å; F229-F257 HydrophobicContact CZ-CB 4.19Å; F229-F257 AromaticContact CZ-CD2 3.88Å; F229-F257 HydrophobicContact CZ-CD2 3.88Å; F229-F257 HydrophobicContact CZ-CG 4.48Å; Y252-F257 HydrophobicContact CD2-CD2 4.37Å; Y252-F257 HydrophobicContact CD2-CE2 4.06Å; Y252-F257 HydrophobicContact CE1-CE2 4.48Å; Y252-F257 HydrophobicContact CE2-CD2 4.03Å; Y252-F257 AromaticContact CE2-CE2 3.46Å; Y252-F257 HydrophobicContact CE2-CE2 3.46Å; Y252-F257 VanDerWaalsContact CE2-CE2 3.46Å; Y252-F257 HydrophobicContact CE2-CZ 4.45Å; Y252-F257 AromaticContact CZ-CE2 3.71Å; K255-F257 PolarHBondContact O-N 3.04Å
258	A	88	Confident	88.5	Confident	21 Å²	21	33.6 Å²	33.6	17%	0.174	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-71.5	143.5	178.1	0	0	0	0	0	111.4	N220 K255 A256 N260 L263 T265	N220-A258 CarbonylContact O-C 3.14Å; N220-A258 WeakPolarHBondContact O-CA 3.36Å; K255-A258 WeakPolarHBondContact O-CB 3.38Å; K255-A258 PolarHBondContact O-N 2.99Å; A256-A258 PolarHBondContact O-N 3.36Å; A256-A258 VanDerWaalsContact O-N 3.14Å; A258-N260 WeakPolarHBondContact CB-O 3.45Å; A258-N260 PolarHBondContact O-N 2.96Å; A258-N260 VanDerWaalsContact O-N 3.12Å; A258-L263 HydrophobicContact CB-CB 4.21Å; A258-L263 WeakPolarHBondContact CB-O 3.45Å; A258-T265 HydrophobicContact CB-CG2 3.79Å
259	K	84.5	Confident	87.9	Confident	106 Å²	106	37.2 Å²	37.2	46%	0.461	21%	0.206	S	C	.	.	S	Bend	trans	-54.2	-30.1	170.8	-68	-172.7	174.7	-160.4	0	112.4	N220 I221 E223	N220-K259 PolarHBondContact O-N 3.5Å; I221-K259 WeakPolarHBondContact O-CE 2.87Å; I221-K259 WeakPolarHBondContact O-CG 3.42Å; E223-K259 IonicContact OE1-NZ 3.38Å; E223-K259 PolarHBondContact OE1-NZ 3.11Å
260	N	80.8	Confident	87.2	Confident	96 Å²	96	40.7 Å²	40.7	51%	0.513	23%	0.227	S	C	.	.	S	Bend	trans	-140.6	136.1	174.4	178.3	-11.4	0	0	0	107.7	A258 D262 L263	A258-N260 WeakPolarHBondContact CB-O 3.45Å; A258-N260 PolarHBondContact O-N 2.96Å; A258-N260 VanDerWaalsContact O-N 3.12Å; N260-D262 PolarHBondContact O-N 3.05Å; N260-D262 PolarHBondContact OD1-N 3.41Å; N260-L263 HydrophobicContact CB-CD1 4.15Å; N260-L263 HydrophobicContact CB-CG 4.25Å; N260-L263 PolarHBondContact O-N 2.98Å
261	G	76.1	Confident	86.8	Confident	54 Å²	54	47.9 Å²	47.9	56%	0.557	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-11.7	-175.2	0	0	0	0	0	115.9	K255	K255-G261 WeakPolarHBondContact CD-O 3.38Å; K255-G261 PolarHBondContact NZ-O 3.05Å
262	D	81.9	Confident	86.4	Confident	110 Å²	110	49.6 Å²	49.6	59%	0.588	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-12.7	174.9	-79.7	-38	0	0	0	115.9	K255 N260	K255-D262 WeakPolarHBondContact CE-O 2.97Å; K255-D262 IonicContact NZ-OD1 2.69Å; K255-D262 PolarHBondContact NZ-OD1 2.91Å; N260-D262 PolarHBondContact O-N 3.05Å; N260-D262 PolarHBondContact OD1-N 3.41Å
263	L	87.9	Confident	86.3	Confident	63 Å²	63	50.5 Å²	50.5	33%	0.33	27%	0.274	S	S	.	.	S	Bend	trans	-85.2	130.7	-175.4	-61.1	175.8	0	0	0	111.9	N220 K255 A258 N260 T265	N220-L263 HydrophobicContact CB-CB 4.04Å; N220-L263 HydrophobicContact CB-CD1 4.31Å; K255-L263 WeakPolarHBondContact CA-O 3.33Å; K255-L263 WeakPolarHBondContact CB-O 3.23Å; K255-L263 WeakPolarHBondContact CG-O 3.36Å; A258-L263 HydrophobicContact CB-CB 4.21Å; A258-L263 WeakPolarHBondContact CB-O 3.45Å; N260-L263 HydrophobicContact CB-CD1 4.15Å; N260-L263 HydrophobicContact CB-CG 4.25Å; N260-L263 PolarHBondContact O-N 2.98Å; L263-T265 PolarHBondContact O-N 2.9Å
264	Y	88.9	Confident	86.2	Confident	79 Å²	79	49.9 Å²	49.9	31%	0.31	27%	0.272	S	S	.	.			trans	-71.1	124.6	168.3	-68.2	-75.7	0	0	0	110.6	N220 S254 K255 L267 Q274 S398	N220-Y264 PolarHBondContact ND2-O 2.92Å; S254-Y264 CarbonylContact O-C 3.5Å; S254-Y264 WeakPolarHBondContact O-CA 3.44Å; S254-Y264 WeakPolarHBondContact OG-CE1 3.42Å; K255-Y264 HydrophobicContact CG-CD1 3.88Å; K255-Y264 HydrophobicContact CG-CE1 4.16Å; K255-Y264 HydrophobicContact CG-CG 4.44Å; Y264-L267 HydrophobicContact CG-CD2 4.05Å; Y264-Q274 HydrophobicContact CE1-CG 4.22Å; Y264-S398 PolarHBondContact OH-OG 3.18Å
265	T	83.8	Confident	86.3	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	-97.3	-24.7	171.9	53	0	0	0	0	111.7	V217 N220 I221 S254 A256 A258 L263	V217-T265 PolarHBondContact N-O 3.08Å; N220-T265 HydrophobicContact CB-CG2 4.28Å; I221-T265 HydrophobicContact CB-CG2 4.46Å; I221-T265 HydrophobicContact CG1-CG2 3.71Å; S254-T265 PolarHBondContact O-N 3.48Å; S254-T265 PolarHBondContact O-OG1 2.92Å; A256-T265 PolarHBondContact N-OG1 3.08Å; A256-T265 WeakPolarHBondContact O-CB 3.5Å; A256-T265 VanDerWaalsContact O-CG2 3.23Å; A256-T265 WeakPolarHBondContact O-CG2 3.41Å; A256-T265 PolarHBondContact O-OG1 3.38Å; A258-T265 HydrophobicContact CB-CG2 3.79Å; L263-T265 PolarHBondContact O-N 2.9Å
266	L	87.1	Confident	86.5	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	122.3	174.9	-71.7	164	0	0	0	110.4	Q205 V214 V216 F229 S254 Q274 I277	Q205-L266 HydrophobicContact CB-CD1 4.26Å; Q205-L266 HydrophobicContact CG-CD1 4.17Å; V214-L266 HydrophobicContact CB-CD2 4.47Å; V214-L266 HydrophobicContact CG2-CD2 4.27Å; V216-L266 HydrophobicContact CG2-CD2 3.86Å; F229-L266 HydrophobicContact CD1-CD2 4.35Å; F229-L266 HydrophobicContact CD1-CG 4.49Å; F229-L266 HydrophobicContact CE1-CD1 4.09Å; F229-L266 HydrophobicContact CE1-CD2 4.31Å; F229-L266 HydrophobicContact CE1-CG 3.96Å; S254-L266 PolarHBondContact O-N 2.87Å; L266-Q274 PolarHBondContact O-NE2 2.92Å; L266-I277 HydrophobicContact CB-CD1 4.26Å
267	L	89.9	Confident	86.7	Confident	67 Å²	67	51 Å²	51	35%	0.351	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125.3	172.7	-63.8	176.5	0	0	0	109.5	V214 N215 V217 Y264	V214-L267 CarbonylContact C-O 3.59Å; V214-L267 VanDerWaalsContact CA-O 3.29Å; V214-L267 WeakPolarHBondContact CA-O 3.49Å; N215-L267 HydrophobicContact CB-CB 4.47Å; N215-L267 PolarHBondContact N-O 3.33Å; N215-L267 PolarHBondContact O-N 3.26Å; V217-L267 HydrophobicContact CG2-CD1 3.62Å; V217-L267 HydrophobicContact CG2-CG 3.77Å; Y264-L267 HydrophobicContact CG-CD2 4.05Å
268	T	86.1	Confident	86.9	Confident	11 Å²	11	50.2 Å²	50.2	7%	0.067	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	138.1	172.7	57.4	0	0	0	0	110.1	V214 Y246 V270 Q274 I277	V214-T268 HydrophobicContact CG1-CG2 4.39Å; Y246-T268 HydrophobicContact CD1-CG2 3.8Å; Y246-T268 HydrophobicContact CE1-CG2 3.66Å; T268-V270 PolarHBondContact O-N 2.89Å; T268-V270 VanDerWaalsContact O-N 3.09Å; T268-V270 PolarHBondContact OG1-O 3.48Å; T268-Q274 WeakPolarHBondContact OG1-CA 3.05Å; T268-Q274 PolarHBondContact OG1-N 2.02Å; T268-Q274 PolarHBondContact OG1-OE1 3.01Å; T268-Q274 VanDerWaalsContact OG1-OE1 3.12Å; T268-I277 HydrophobicContact CG2-CD1 4.02Å; T268-I277 HydrophobicContact CG2-CG1 4.35Å; T268-I277 HydrophobicContact CG2-CG2 3.9Å
269	S	84.1	Confident	87.1	Confident	76 Å²	76	49.4 Å²	49.4	53%	0.531	26%	0.262	S	S	.	.	S	Bend	trans	-57.4	-27	178.3	-62.3	0	0	0	0	112.8	Y213	Y213-S269 VanDerWaalsContact C-OG 3.28Å; Y213-S269 WeakPolarHBondContact O-CB 3.48Å; Y213-S269 PolarHBondContact O-N 3.31Å; Y213-S269 PolarHBondContact O-OG 3.39Å; Y213-S269 VanDerWaalsContact O-OG 3.11Å
270	V	82.4	Confident	87.3	Confident	73 Å²	73	45.6 Å²	45.6	44%	0.442	25%	0.245	S	C	.	.	S	Bend	trans	-113.7	110.9	172.2	178.6	0	0	0	0	108.8	T268 N272 Y273	T268-V270 PolarHBondContact O-N 2.89Å; T268-V270 VanDerWaalsContact O-N 3.09Å; T268-V270 PolarHBondContact OG1-O 3.48Å; V270-N272 PolarHBondContact O-N 3.27Å; V270-Y273 HydrophobicContact CB-CD2 3.84Å; V270-Y273 HydrophobicContact CB-CE2 4.47Å; V270-Y273 HydrophobicContact CG1-CD2 3.82Å; V270-Y273 HydrophobicContact CG1-CE2 4.26Å; V270-Y273 WeakPolarHBondContact O-CB 3.44Å; V270-Y273 PolarHBondContact O-N 2.75Å
271	Q	85.2	Confident	87.6	Confident	150 Å²	150	43.4 Å²	43.4	70%	0.701	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-52.4	-33.7	-172.2	-171.1	178.7	34.2	0	0	114.7	Y273 Q274	Q271-Y273 PolarHBondContact O-N 3.32Å; Q271-Y273 VanDerWaalsContact O-N 3.17Å; Q271-Q274 WeakPolarHBondContact O-CB 3.41Å; Q271-Q274 PolarHBondContact O-N 2.88Å
272	N	86.7	Confident	88.3	Confident	37 Å²	37	43.2 Å²	43.2	20%	0.198	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-65.3	-17.4	179.3	-69.8	-13.6	0	0	0	113.4	V270 M417 L419	V270-N272 PolarHBondContact O-N 3.27Å; N272-M417 HydrophobicContact CB-CB 3.87Å; N272-M417 HydrophobicContact CB-CG 4.27Å; N272-M417 HydrophobicContact CB-SD 3.69Å; N272-M417 WeakPolarHBondContact O-CB 3.48Å; N272-L419 HydrophobicContact CB-CD2 4.17Å
273	Y	89.8	Confident	88.9	Confident	26 Å²	26	38.5 Å²	38.5	10%	0.102	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-85.8	-6.5	174.2	-78	-89	0	0	0	113.7	Y246 V270 Q271 R275 T276 T415 G416 M417	Y246-Y273 AromaticContact CD2-CD1 3.22Å; Y246-Y273 HydrophobicContact CD2-CD1 3.22Å; Y246-Y273 HydrophobicContact CD2-CD2 4.47Å; Y246-Y273 AromaticContact CD2-CE1 3.65Å; Y246-Y273 HydrophobicContact CD2-CE1 3.65Å; Y246-Y273 AromaticContact CD2-CG 3.67Å; Y246-Y273 HydrophobicContact CD2-CG 3.67Å; Y246-Y273 AromaticContact CE2-CD1 3.81Å; Y246-Y273 HydrophobicContact CE2-CD1 3.81Å; Y246-Y273 HydrophobicContact CE2-CD2 4.25Å; Y246-Y273 HydrophobicContact CE2-CE1 4.19Å; Y246-Y273 AromaticContact CE2-CG 3.81Å; Y246-Y273 HydrophobicContact CE2-CG 3.81Å; Y246-Y273 AromaticContact CG-CD1 3.8Å; Y246-Y273 HydrophobicContact CG-CD1 3.8Å; Y246-Y273 HydrophobicContact CG-CG 4.24Å; V270-Y273 HydrophobicContact CB-CD2 3.84Å; V270-Y273 HydrophobicContact CB-CE2 4.47Å; V270-Y273 HydrophobicContact CG1-CD2 3.82Å; V270-Y273 HydrophobicContact CG1-CE2 4.26Å; V270-Y273 WeakPolarHBondContact O-CB 3.44Å; V270-Y273 PolarHBondContact O-N 2.75Å; Q271-Y273 PolarHBondContact O-N 3.32Å; Q271-Y273 VanDerWaalsContact O-N 3.17Å; Y273-R275 PolarHBondContact O-N 2.97Å; Y273-R275 VanDerWaalsContact O-N 3.08Å; Y273-T276 HydrophobicContact CD1-CG2 4.46Å; Y273-T276 VanDerWaalsContact O-CB 3.28Å; Y273-T276 WeakPolarHBondContact O-CB 3.42Å; Y273-T276 PolarHBondContact O-N 3.38Å; Y273-T415 WeakPolarHBondContact CE1-O 3.44Å; Y273-G416 WeakPolarHBondContact CE1-O 3.44Å; Y273-M417 HydrophobicContact CD1-CB 4.39Å; Y273-M417 HydrophobicContact CD2-CB 4.12Å; Y273-M417 HydrophobicContact CE1-CB 4.36Å; Y273-M417 HydrophobicContact CE2-CB 4.08Å; Y273-M417 HydrophobicContact CE2-CE 4.22Å; Y273-M417 HydrophobicContact CG-CB 4.3Å
274	Q	90.4	Very high	89.4	Confident	20 Å²	20	35.7 Å²	35.7	9%	0.093	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-29.1	-173.9	-168.8	64.1	38.8	0	0	113.1	Y264 L266 T268 Q271 I277	Y264-Q274 HydrophobicContact CE1-CG 4.22Å; L266-Q274 PolarHBondContact O-NE2 2.92Å; T268-Q274 WeakPolarHBondContact OG1-CA 3.05Å; T268-Q274 PolarHBondContact OG1-N 2.02Å; T268-Q274 PolarHBondContact OG1-OE1 3.01Å; T268-Q274 VanDerWaalsContact OG1-OE1 3.12Å; Q271-Q274 WeakPolarHBondContact O-CB 3.41Å; Q271-Q274 PolarHBondContact O-N 2.88Å; Q274-I277 WeakPolarHBondContact O-CG1 3.05Å
275	R	92	Very high	89.8	Confident	65 Å²	65	33 Å²	33	25%	0.245	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.3	-0.1	176.8	-59.2	-174.1	176.3	-85.5	-4.5	114.3	Y273 S398 C400 C421	Y273-R275 PolarHBondContact O-N 2.97Å; Y273-R275 VanDerWaalsContact O-N 3.08Å; R275-S398 WeakPolarHBondContact CA-O 3.48Å; R275-C400 VanDerWaalsContact CB-SG 3.58Å; R275-C421 PolarHBondContact NH1-SG 2.86Å; R275-C421 VanDerWaalsContact NH1-SG 3.35Å
276	T	93.7	Very high	90.4	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-35.6	173.8	-56.9	0	0	0	0	111.1	Y273 T415 G416 R418	Y273-T276 HydrophobicContact CD1-CG2 4.46Å; Y273-T276 VanDerWaalsContact O-CB 3.28Å; Y273-T276 WeakPolarHBondContact O-CB 3.42Å; Y273-T276 PolarHBondContact O-N 3.38Å; T276-T415 HydrophobicContact CG2-CG2 3.64Å; T276-G416 WeakPolarHBondContact CG2-O 3.37Å; T276-G416 PolarHBondContact OG1-O 3Å; T276-G416 VanDerWaalsContact OG1-O 3.04Å; T276-R418 HydrophobicContact CG2-CG 4.31Å; T276-R418 PolarHBondContact OG1-N 2.86Å
277	I	93.6	Very high	90.9	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	145	-176.5	61.2	167.9	0	0	0	113.1	Y246 H251 L266 T268 Q274 L399	Y246-I277 HydrophobicContact CD1-CG2 3.56Å; Y246-I277 HydrophobicContact CG-CG2 4.12Å; Y246-I277 WeakPolarHBondContact O-CA 3.26Å; H251-I277 WeakPolarHBondContact NE2-CG2 3.2Å; L266-I277 HydrophobicContact CB-CD1 4.26Å; T268-I277 HydrophobicContact CG2-CD1 4.02Å; T268-I277 HydrophobicContact CG2-CG1 4.35Å; T268-I277 HydrophobicContact CG2-CG2 3.9Å; Q274-I277 WeakPolarHBondContact O-CG1 3.05Å; I277-L399 WeakPolarHBondContact O-CD2 3.37Å
278	G	91.8	Very high	91.2	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	10.9	174.6	0	0	0	0	0	115.8	Y252 R253	Y252-G278 WeakPolarHBondContact O-CA 3.44Å; Y252-G278 PolarHBondContact O-N 3.06Å; R253-G278 PolarHBondContact NH1-O 2.95Å
279	Q	91.5	Very high	91.7	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.019	16%	0.16	C	C	.	.			trans	-64.8	147.1	173.1	73.9	83.1	15.2	0	0	110.7	G247 H282	G247-Q279 PolarHBondContact O-NE2 2.87Å; Q279-H282 PolarHBondContact NE2-O 2.77Å; Q279-H282 PolarHBondContact OE1-O 3.13Å
280	R	88.7	Confident	92.3	Very high	26 Å²	26	28.7 Å²	28.7	10%	0.098	14%	0.135	C	C	.	.			trans	-135	23.6	177.9	-66.4	-67.8	-176.7	-81.7	2.9	111.3	G189 V190 I249 H251	G189-R280 WeakPolarHBondContact CA-O 3.42Å; V190-R280 HydrophobicContact CG2-CB 4.09Å; V190-R280 HydrophobicContact CG2-CG 4.42Å; I249-R280 PolarHBondContact O-NH1 3.25Å; I249-R280 VanDerWaalsContact O-NH1 3.12Å; H251-R280 PolarHBondContact O-NH1 3.03Å; H251-R280 PolarHBondContact O-NH2 3.43Å
281	D	88	Confident	93	Very high	50 Å²	50	25.2 Å²	25.2	27%	0.267	11%	0.114	S	C	.	.	S	Bend	trans	-81.8	-44.8	-176.8	-65.6	-52.4	0	0	0	110.6	Y444	D281-Y444 PolarHBondContact OD1-OH 2.88Å
282	H	90.5	Very high	93.5	Very high	51 Å²	51	18.3 Å²	18.3	24%	0.236	8%	0.082	C	C	.	.	S	Bend	trans	-158.6	163.3	-176.7	58.9	64.1	0	0	0	112.3	Q279	Q279-H282 PolarHBondContact NE2-O 2.77Å; Q279-H282 PolarHBondContact OE1-O 3.13Å
283	L	95.5	Very high	93.9	Very high	10 Å²	10	19.8 Å²	19.8	5%	0.052	9%	0.088	C	C	.	.			trans	-60.9	140.1	170.3	-67.5	167.5	0	0	0	110.7	W136 A192 I249 D287 I288	W136-L283 HydrophobicContact CD2-CD1 3.98Å; W136-L283 HydrophobicContact CE3-CD1 4.05Å; W136-L283 HydrophobicContact CH2-CD1 3.62Å; W136-L283 HydrophobicContact CH2-CD2 3.58Å; W136-L283 HydrophobicContact CH2-CG 4.27Å; W136-L283 HydrophobicContact CZ2-CD1 3.55Å; W136-L283 HydrophobicContact CZ2-CD2 3.33Å; W136-L283 HydrophobicContact CZ2-CG 4.09Å; W136-L283 HydrophobicContact CZ3-CD1 3.87Å; A192-L283 HydrophobicContact CB-CG 4.47Å; I249-L283 HydrophobicContact CB-CD2 4.37Å; I249-L283 HydrophobicContact CD1-CD2 4.28Å; I249-L283 HydrophobicContact CG2-CD2 3.64Å; L283-D287 HydrophobicContact CB-CB 4.41Å; L283-D287 HydrophobicContact CD2-CB 4.15Å; L283-I288 HydrophobicContact CB-CD1 3.98Å; L283-I288 HydrophobicContact CB-CG1 3.83Å; L283-I288 HydrophobicContact CD1-CD1 4.4Å; L283-I288 HydrophobicContact CD1-CG1 4.03Å
284	S	96.7	Very high	94.1	Very high	4 Å²	4	19.6 Å²	19.6	3%	0.028	9%	0.088	C	C	.	.			trans	-73.4	161.5	170.4	97.9	0	0	0	0	110.4	D245 G247 N286 D287 I288	D245-S284 WeakPolarHBondContact OD2-CB 3.37Å; D245-S284 PolarHBondContact OD2-OG 2.91Å; G247-S284 WeakPolarHBondContact O-CB 3.07Å; S284-N286 PolarHBondContact O-N 3.5Å; S284-N286 PolarHBondContact OG-N 3.44Å; S284-D287 WeakPolarHBondContact CB-OD2 3.49Å; S284-D287 PolarHBondContact N-OD2 3.27Å; S284-D287 PolarHBondContact O-N 2.88Å; S284-D287 PolarHBondContact OG-N 3.13Å; S284-D287 PolarHBondContact OG-OD2 2.69Å; S284-I288 PolarHBondContact O-N 3.14Å
285	F	97.4	Very high	94.3	Very high	23 Å²	23	19 Å²	19	10%	0.101	9%	0.085	C	C	.	.	H	α-helix	trans	-59.7	-38.2	174.8	-179.4	-92.8	0	0	0	111.6	I288 R289 G308 Y310 R320 C321 P322 A413	F285-I288 PolarHBondContact O-N 3.32Å; F285-R289 WeakPolarHBondContact O-CB 3.32Å; F285-R289 PolarHBondContact O-N 3.19Å; F285-G308 WeakPolarHBondContact CE1-O 3.26Å; F285-Y310 AromaticContact CE1-CD1 3.82Å; F285-Y310 HydrophobicContact CE1-CD1 3.82Å; F285-Y310 AromaticContact CE1-CE1 3.78Å; F285-Y310 HydrophobicContact CE1-CE1 3.78Å; F285-Y310 HydrophobicContact CE2-CD1 4.31Å; F285-Y310 AromaticContact CE2-CE1 3.84Å; F285-Y310 HydrophobicContact CE2-CE1 3.84Å; F285-Y310 AromaticContact CZ-CD1 3.42Å; F285-Y310 HydrophobicContact CZ-CD1 3.42Å; F285-Y310 VanDerWaalsContact CZ-CD1 3.42Å; F285-Y310 AromaticContact CZ-CE1 3.34Å; F285-Y310 HydrophobicContact CZ-CE1 3.34Å; F285-R320 HydrophobicContact CE2-CB 4.37Å; F285-R320 HydrophobicContact CE2-CG 3.98Å; F285-C321 WeakPolarHBondContact CE2-O 2.99Å; F285-P322 HydrophobicContact CD1-CB 4.44Å; F285-P322 HydrophobicContact CD1-CG 4.13Å; F285-P322 HydrophobicContact CD2-CB 4.41Å; F285-P322 HydrophobicContact CD2-CG 4.44Å; F285-P322 HydrophobicContact CE1-CG 3.82Å; F285-P322 HydrophobicContact CE2-CG 4.17Å; F285-P322 HydrophobicContact CG-CB 4.33Å; F285-P322 HydrophobicContact CG-CG 4.41Å; F285-P322 HydrophobicContact CZ-CG 3.83Å; F285-A413 HydrophobicContact CD1-CB 3.66Å; F285-A413 HydrophobicContact CE1-CB 3.75Å
286	N	96.6	Very high	94.5	Very high	1 Å²	1	16.2 Å²	16.2	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-75.8	-26.4	179.4	-81.4	-21.3	0	0	0	113.5	I242 D245 S284 R289 L290 A413 N414	I242-N286 HydrophobicContact CG2-CB 3.85Å; D245-N286 HydrophobicContact CB-CB 4.32Å; S284-N286 PolarHBondContact O-N 3.5Å; S284-N286 PolarHBondContact OG-N 3.44Å; N286-R289 PolarHBondContact O-N 3.21Å; N286-L290 WeakPolarHBondContact O-CB 3.23Å; N286-L290 PolarHBondContact O-N 3.48Å; N286-A413 WeakPolarHBondContact OD1-CB 3.22Å; N286-N414 PolarHBondContact ND2-OD1 3.13Å
287	D	97.4	Very high	94.5	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-59.9	-50.9	168.9	-65.7	-35.5	0	0	0	110	K98 F201 S248 I249 L283 S284 R289 L290 M291	K98-D287 IonicContact NZ-OD1 3.79Å; K98-D287 PolarHBondContact NZ-OD1 3.48Å; F201-D287 HydrophobicContact CE1-CB 4.28Å; F201-D287 VanDerWaalsContact CZ-O 3.3Å; F201-D287 WeakPolarHBondContact CZ-O 3.45Å; S248-D287 WeakPolarHBondContact CA-OD2 3.31Å; S248-D287 PolarHBondContact OG-OD1 2.94Å; S248-D287 VanDerWaalsContact OG-OD1 3.04Å; I249-D287 PolarHBondContact N-OD2 3.47Å; L283-D287 HydrophobicContact CB-CB 4.41Å; L283-D287 HydrophobicContact CD2-CB 4.15Å; S284-D287 WeakPolarHBondContact CB-OD2 3.49Å; S284-D287 PolarHBondContact N-OD2 3.27Å; S284-D287 PolarHBondContact O-N 2.88Å; S284-D287 PolarHBondContact OG-N 3.13Å; S284-D287 PolarHBondContact OG-OD2 2.69Å; D287-R289 PolarHBondContact O-N 3.12Å; D287-L290 PolarHBondContact O-N 3.18Å; D287-M291 PolarHBondContact O-N 3.18Å; D287-M291 VanDerWaalsContact O-N 3.07Å
288	I	97.7	Very high	94.6	Very high	7 Å²	7	26.1 Å²	26.1	4%	0.036	13%	0.13	C	C	.	.	H	α-helix	trans	-66.6	-40.3	-180	-58.2	174.1	0	0	0	110.8	V139 L283 S284 F285 M291 N292 Y310 R320	V139-I288 HydrophobicContact CB-CD1 4.16Å; V139-I288 HydrophobicContact CB-CG2 3.74Å; V139-I288 HydrophobicContact CG1-CD1 4.3Å; V139-I288 HydrophobicContact CG2-CD1 4.04Å; V139-I288 HydrophobicContact CG2-CG1 4.08Å; V139-I288 HydrophobicContact CG2-CG2 3.76Å; V139-I288 WeakPolarHBondContact O-CG2 3.28Å; L283-I288 HydrophobicContact CB-CD1 3.98Å; L283-I288 HydrophobicContact CB-CG1 3.83Å; L283-I288 HydrophobicContact CD1-CD1 4.4Å; L283-I288 HydrophobicContact CD1-CG1 4.03Å; S284-I288 PolarHBondContact O-N 3.14Å; F285-I288 PolarHBondContact O-N 3.32Å; I288-M291 PolarHBondContact O-N 3.09Å; I288-N292 WeakPolarHBondContact CG2-ND2 3.44Å; I288-N292 WeakPolarHBondContact O-CB 3.19Å; I288-N292 PolarHBondContact O-N 3.06Å; I288-N292 PolarHBondContact O-ND2 3.22Å; I288-Y310 WeakPolarHBondContact CG2-OH 3.47Å; I288-R320 VanDerWaalsContact CD1-NH2 3.34Å
289	R	97	Very high	94.8	Very high	54 Å²	54	28.9 Å²	28.9	20%	0.204	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-48.6	175.9	-173.9	-178.3	172.5	-173.6	-1.4	110.9	I242 F285 N286 D287 M291 N292 E293 Y310 D411	I242-R289 HydrophobicContact CD1-CB 4.09Å; I242-R289 HydrophobicContact CD1-CG 3.74Å; F285-R289 WeakPolarHBondContact O-CB 3.32Å; F285-R289 PolarHBondContact O-N 3.19Å; N286-R289 PolarHBondContact O-N 3.21Å; D287-R289 PolarHBondContact O-N 3.12Å; R289-M291 VanDerWaalsContact C-N 3.35Å; R289-M291 PolarHBondContact O-N 3.02Å; R289-N292 PolarHBondContact O-N 3.14Å; R289-N292 VanDerWaalsContact O-N 3.15Å; R289-E293 HydrophobicContact CG-CG 4.34Å; R289-E293 WeakPolarHBondContact O-CG 3.45Å; R289-E293 PolarHBondContact O-N 3.44Å; R289-Y310 HydrophobicContact CB-CD1 4.09Å; R289-Y310 HydrophobicContact CB-CE1 3.59Å; R289-Y310 HydrophobicContact CG-CD1 3.7Å; R289-Y310 HydrophobicContact CG-CE1 3.73Å; R289-Y310 HydrophobicContact CG-CG 4.28Å; R289-D411 IonicContact NH1-OD2 3.57Å
290	L	95.8	Very high	95	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-60.8	-45.1	179.8	-177.8	58	0	0	0	111.7	K98 F99 F201 S239 K240 I242 N286 D287 N292 E293 I294	K98-L290 HydrophobicContact CB-CD2 3.68Å; K98-L290 HydrophobicContact CD-CD2 3.45Å; K98-L290 VanDerWaalsContact CD-CD2 3.45Å; K98-L290 HydrophobicContact CG-CD2 3.54Å; F99-L290 HydrophobicContact CB-CD2 4.38Å; F201-L290 HydrophobicContact CD2-CD2 4.06Å; F201-L290 HydrophobicContact CE2-CB 4.06Å; F201-L290 HydrophobicContact CE2-CD2 3.41Å; F201-L290 VanDerWaalsContact CE2-CD2 3.41Å; F201-L290 HydrophobicContact CE2-CG 3.67Å; F201-L290 HydrophobicContact CZ-CB 4.15Å; F201-L290 HydrophobicContact CZ-CD2 4.22Å; F201-L290 HydrophobicContact CZ-CG 4.26Å; S239-L290 WeakPolarHBondContact O-CD1 3.5Å; K240-L290 HydrophobicContact CB-CD1 4.07Å; K240-L290 HydrophobicContact CG-CD1 3.95Å; I242-L290 HydrophobicContact CD1-CB 3.66Å; I242-L290 HydrophobicContact CD1-CD1 3.97Å; I242-L290 HydrophobicContact CD1-CG 4.4Å; N286-L290 WeakPolarHBondContact O-CB 3.23Å; N286-L290 PolarHBondContact O-N 3.48Å; D287-L290 PolarHBondContact O-N 3.18Å; L290-N292 PolarHBondContact O-N 3.33Å; L290-E293 PolarHBondContact O-N 3.22Å; L290-I294 HydrophobicContact CD1-CD1 3.72Å; L290-I294 HydrophobicContact CD1-CG1 4.23Å; L290-I294 HydrophobicContact CG-CD1 3.91Å; L290-I294 WeakPolarHBondContact O-CD1 3.45Å; L290-I294 VanDerWaalsContact O-CG1 3.25Å; L290-I294 WeakPolarHBondContact O-CG1 3.42Å; L290-I294 PolarHBondContact O-N 3.43Å; L290-I294 VanDerWaalsContact O-N 3.15Å
291	M	96.3	Very high	95.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.7	-40.8	176.7	-163.9	65.7	75.2	0	0	111.6	F99 W136 T140 L142 L199 F201 D287 I288 R289 I294 Y295	F99-M291 HydrophobicContact CE2-SD 4.11Å; W136-M291 HydrophobicContact CE3-CE 4.39Å; W136-M291 HydrophobicContact CE3-CG 4.23Å; W136-M291 HydrophobicContact CH2-CB 4.48Å; W136-M291 HydrophobicContact CH2-CE 3.54Å; W136-M291 HydrophobicContact CH2-CG 4.48Å; W136-M291 HydrophobicContact CZ2-CE 4.13Å; W136-M291 HydrophobicContact CZ3-CB 3.84Å; W136-M291 HydrophobicContact CZ3-CE 3.69Å; W136-M291 HydrophobicContact CZ3-CG 3.72Å; T140-M291 HydrophobicContact CG2-CB 4.19Å; T140-M291 HydrophobicContact CG2-CG 3.83Å; L142-M291 HydrophobicContact CD1-CG 4.33Å; L142-M291 HydrophobicContact CD1-SD 4.36Å; L199-M291 HydrophobicContact CB-CE 3.64Å; L199-M291 HydrophobicContact CB-SD 4.07Å; L199-M291 HydrophobicContact CD1-CE 3.64Å; L199-M291 HydrophobicContact CD1-SD 4.17Å; L199-M291 HydrophobicContact CG-CE 4.31Å; F201-M291 HydrophobicContact CD1-CE 4.05Å; F201-M291 HydrophobicContact CE1-CE 3.56Å; F201-M291 HydrophobicContact CE2-CE 4.26Å; F201-M291 HydrophobicContact CZ-CB 4.2Å; F201-M291 HydrophobicContact CZ-CE 3.64Å; F201-M291 HydrophobicContact CZ-SD 4.49Å; D287-M291 PolarHBondContact O-N 3.18Å; D287-M291 VanDerWaalsContact O-N 3.07Å; I288-M291 PolarHBondContact O-N 3.09Å; R289-M291 VanDerWaalsContact C-N 3.35Å; R289-M291 PolarHBondContact O-N 3.02Å; M291-I294 PolarHBondContact O-N 2.86Å; M291-Y295 HydrophobicContact CG-CD2 4.06Å; M291-Y295 WeakPolarHBondContact O-CB 3.3Å; M291-Y295 PolarHBondContact O-N 3.18Å; M291-Y295 HydrophobicContact SD-CD2 3.48Å; M291-Y295 WeakPolarHBondContact SD-CD2 3.05Å; M291-Y295 HydrophobicContact SD-CE2 3.47Å; M291-Y295 WeakPolarHBondContact SD-CE2 3.47Å
292	N	97	Very high	95.8	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.032	20%	0.202	C	C	.	.	H	α-helix	trans	-75.5	-36.2	-180	-74.1	-49	0	0	0	114	V139 T140 I288 R289 L290 I294 C296 S297 Y310 P313	V139-N292 PolarHBondContact O-ND2 2.81Å; V139-N292 PolarHBondContact O-OD1 2.88Å; T140-N292 WeakPolarHBondContact CA-OD1 3.37Å; T140-N292 WeakPolarHBondContact CB-OD1 3.36Å; I288-N292 WeakPolarHBondContact CG2-ND2 3.44Å; I288-N292 WeakPolarHBondContact O-CB 3.19Å; I288-N292 PolarHBondContact O-N 3.06Å; I288-N292 PolarHBondContact O-ND2 3.22Å; R289-N292 PolarHBondContact O-N 3.14Å; R289-N292 VanDerWaalsContact O-N 3.15Å; L290-N292 PolarHBondContact O-N 3.33Å; N292-I294 PolarHBondContact O-N 2.93Å; N292-C296 HydrophobicContact CB-CB 4.19Å; N292-C296 CarbonylContact O-C 3.44Å; N292-C296 VanDerWaalsContact O-C 3.24Å; N292-C296 VanDerWaalsContact O-CA 3.24Å; N292-C296 WeakPolarHBondContact O-CA 2.96Å; N292-C296 WeakPolarHBondContact O-CB 3.28Å; N292-C296 PolarHBondContact O-N 3.15Å; N292-C296 PolarHBondContact OD1-SG 3.4Å; N292-S297 PolarHBondContact O-N 3.17Å; N292-Y310 HydrophobicContact CB-CE2 3.98Å; N292-Y310 PolarHBondContact ND2-OH 3.38Å; N292-P313 HydrophobicContact CB-CG 4.4Å; N292-P313 VanDerWaalsContact OD1-CG 3.27Å; N292-P313 WeakPolarHBondContact OD1-CG 3.38Å
293	E	94.5	Very high	96.1	Very high	67 Å²	67	36.7 Å²	36.7	31%	0.313	21%	0.205	S	C	.	.	H	α-helix	trans	-61.4	-32.3	173.2	-71.9	-64.5	165.3	0	0	111.4	K240 I242 R289 L290 S297	K240-E293 HydrophobicContact CB-CB 3.96Å; K240-E293 HydrophobicContact CB-CG 4.45Å; K240-E293 HydrophobicContact CG-CB 3.86Å; I242-E293 HydrophobicContact CD1-CG 4.26Å; R289-E293 HydrophobicContact CG-CG 4.34Å; R289-E293 WeakPolarHBondContact O-CG 3.45Å; R289-E293 PolarHBondContact O-N 3.44Å; L290-E293 PolarHBondContact O-N 3.22Å; E293-S297 WeakPolarHBondContact O-CB 3.36Å; E293-S297 PolarHBondContact O-OG 3.29Å; E293-S297 VanDerWaalsContact O-OG 3.14Å
294	I	93.1	Very high	96.2	Very high	23 Å²	23	45.4 Å²	45.4	12%	0.118	24%	0.243	C	C	.	.	H	α-helix	trans	-81	-54.8	-179.3	-66.6	173.3	0	0	0	111.3	F99 K240 L290 M291 N292	F99-I294 HydrophobicContact CB-CD1 3.26Å; F99-I294 HydrophobicContact CD1-CD1 3.45Å; F99-I294 VanDerWaalsContact CD1-CD1 3.45Å; F99-I294 HydrophobicContact CD1-CG2 4.15Å; F99-I294 HydrophobicContact CD2-CD1 3.46Å; F99-I294 VanDerWaalsContact CD2-CD1 3.46Å; F99-I294 HydrophobicContact CE1-CD1 4.06Å; F99-I294 HydrophobicContact CE1-CG2 3.75Å; F99-I294 HydrophobicContact CE2-CD1 4.06Å; F99-I294 HydrophobicContact CE2-CG2 4.5Å; F99-I294 HydrophobicContact CG-CD1 3.13Å; F99-I294 HydrophobicContact CZ-CD1 4.32Å; F99-I294 HydrophobicContact CZ-CG2 3.94Å; K240-I294 HydrophobicContact CD-CG1 4.49Å; K240-I294 HydrophobicContact CG-CG1 3.89Å; L290-I294 HydrophobicContact CD1-CD1 3.72Å; L290-I294 HydrophobicContact CD1-CG1 4.23Å; L290-I294 HydrophobicContact CG-CD1 3.91Å; L290-I294 WeakPolarHBondContact O-CD1 3.45Å; L290-I294 VanDerWaalsContact O-CG1 3.25Å; L290-I294 WeakPolarHBondContact O-CG1 3.42Å; L290-I294 PolarHBondContact O-N 3.43Å; L290-I294 VanDerWaalsContact O-N 3.15Å; M291-I294 PolarHBondContact O-N 2.86Å; N292-I294 PolarHBondContact O-N 2.93Å
295	Y	95.8	Very high	96.2	Very high	8 Å²	8	46.6 Å²	46.6	3%	0.031	25%	0.251	C	S	.	.	H	α-helix	trans	-95.1	-25.1	-171	-72.3	-64.5	0	0	0	114.2	F99 H106 W107 A109 C141 L142 L199 M291 H298	F99-Y295 AromaticContact CE2-CE2 3.9Å; F99-Y295 HydrophobicContact CE2-CE2 3.9Å; F99-Y295 AromaticContact CZ-CE2 3.54Å; F99-Y295 HydrophobicContact CZ-CE2 3.54Å; F99-Y295 AromaticContact CZ-CZ 3.69Å; F99-Y295 WeakPolarHBondContact CZ-OH 3.43Å; H106-Y295 HydrophobicContact CB-CE1 4.02Å; W107-Y295 HydrophobicContact CB-CE1 4.16Å; W107-Y295 PolarHBondContact N-OH 2.74Å; W107-Y295 VanDerWaalsContact N-OH 3.09Å; W107-Y295 WeakPolarHBondContact O-CE1 3.35Å; A109-Y295 HydrophobicContact CB-CD1 4.12Å; A109-Y295 WeakPolarHBondContact CB-O 3.46Å; C141-Y295 PolarHBondContact SG-O 3.37Å; C141-Y295 VanDerWaalsContact SG-O 3.35Å; L142-Y295 HydrophobicContact CD1-CD2 3.95Å; L142-Y295 HydrophobicContact CD1-CE2 4.26Å; L142-Y295 HydrophobicContact CD1-CG 4.37Å; L142-Y295 HydrophobicContact CD2-CD1 4.1Å; L142-Y295 HydrophobicContact CD2-CD2 4.3Å; L142-Y295 HydrophobicContact CD2-CG 3.9Å; L142-Y295 HydrophobicContact CG-CD2 4.46Å; L142-Y295 HydrophobicContact CG-CG 4.41Å; L199-Y295 PolarHBondContact O-OH 2.79Å; M291-Y295 HydrophobicContact CG-CD2 4.06Å; M291-Y295 WeakPolarHBondContact O-CB 3.3Å; M291-Y295 PolarHBondContact O-N 3.18Å; M291-Y295 HydrophobicContact SD-CD2 3.48Å; M291-Y295 WeakPolarHBondContact SD-CD2 3.05Å; M291-Y295 HydrophobicContact SD-CE2 3.47Å; M291-Y295 WeakPolarHBondContact SD-CE2 3.47Å; Y295-H298 PolarHBondContact O-CE1 3.44Å; Y295-H298 PolarHBondContact O-ND1 2.84Å
296	C	96.8	Very high	96	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.041	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	5.8	-160.2	-48.9	0	0	0	0	114.7	C141 N292 H298 V299 P313	C141-C296 VanDerWaalsContact CA-SG 3.6Å; C141-C296 HydrophobicContact CB-CB 3.7Å; C141-C296 WeakPolarHBondContact CB-SG 3.02Å; C141-C296 PolarHBondContact N-SG 2.97Å; C141-C296 WeakPolarHBondContact SG-CA 3.43Å; C141-C296 WeakPolarHBondContact SG-CB 3.46Å; C141-C296 CovalentContact SG-SG 2.04Å; C141-C296 PolarHBondContact SG-SG 2.89Å; N292-C296 HydrophobicContact CB-CB 4.19Å; N292-C296 CarbonylContact O-C 3.44Å; N292-C296 VanDerWaalsContact O-C 3.24Å; N292-C296 VanDerWaalsContact O-CA 3.24Å; N292-C296 WeakPolarHBondContact O-CA 2.96Å; N292-C296 WeakPolarHBondContact O-CB 3.28Å; N292-C296 PolarHBondContact O-N 3.15Å; N292-C296 PolarHBondContact OD1-SG 3.4Å; C296-H298 PolarHBondContact O-N 2.89Å; C296-H298 VanDerWaalsContact O-N 3.12Å; C296-V299 HydrophobicContact CB-CG2 4.21Å; C296-V299 WeakPolarHBondContact O-CB 3.11Å; C296-V299 WeakPolarHBondContact O-CG2 3.45Å; C296-V299 PolarHBondContact O-N 3.32Å; C296-V299 VanDerWaalsContact O-N 3.09Å; C296-P313 HydrophobicContact CB-CB 3.86Å; C296-P313 HydrophobicContact CB-CG 4.15Å
297	S	93.9	Very high	95.8	Very high	78 Å²	78	52.1 Å²	52.1	55%	0.545	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.4	-178.5	48.4	0	0	0	0	113.6	N292 E293	N292-S297 PolarHBondContact O-N 3.17Å; E293-S297 WeakPolarHBondContact O-CB 3.36Å; E293-S297 PolarHBondContact O-OG 3.29Å; E293-S297 VanDerWaalsContact O-OG 3.14Å
298	H	94.2	Very high	95.5	Very high	130 Å²	130	53.2 Å²	53.2	60%	0.602	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-11.1	178.7	64.7	-88.1	0	0	0	114.2	Y295 C296	Y295-H298 PolarHBondContact O-CE1 3.44Å; Y295-H298 PolarHBondContact O-ND1 2.84Å; C296-H298 PolarHBondContact O-N 2.89Å; C296-H298 VanDerWaalsContact O-N 3.12Å
299	V	96.3	Very high	95.4	Very high	58 Å²	58	53.5 Å²	53.5	35%	0.352	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-36.8	-169	177.1	0	0	0	0	112.4	C141 C296 P313	C141-V299 HydrophobicContact CB-CG2 3.82Å; C296-V299 HydrophobicContact CB-CG2 4.21Å; C296-V299 WeakPolarHBondContact O-CB 3.11Å; C296-V299 WeakPolarHBondContact O-CG2 3.45Å; C296-V299 PolarHBondContact O-N 3.32Å; C296-V299 VanDerWaalsContact O-N 3.09Å; V299-P313 HydrophobicContact CB-CB 4.31Å; V299-P313 HydrophobicContact CG1-CB 4.38Å; V299-P313 VanDerWaalsContact CG1-O 3.31Å; V299-P313 WeakPolarHBondContact CG1-O 3.37Å
300	C	96.7	Very high	95.4	Very high	17 Å²	17	51.9 Å²	51.9	12%	0.115	28%	0.284	C	S	.	.	S	Bend	trans	-131.1	143.8	-175.3	-62	0	0	0	0	111.4	T311 D312 C316	C300-T311 HydrophobicContact CB-CG2 3.6Å; C300-D312 PolarHBondContact SG-O 3.07Å; C300-C316 HydrophobicContact CB-CB 3.6Å; C300-C316 WeakPolarHBondContact CB-SG 3.46Å; C300-C316 WeakPolarHBondContact SG-CA 3.44Å; C300-C316 WeakPolarHBondContact SG-CB 3.25Å; C300-C316 CovalentContact SG-SG 2.03Å; C300-C316 PolarHBondContact SG-SG 3.16Å
301	P	96.6	Very high	95.5	Very high	99 Å²	99	52.9 Å²	52.9	64%	0.643	29%	0.29	S	S	*	.	P	Polyproline II helix	trans	-59.3	142.7	164.3	-21.7	33.2	0	0	0	111.4	T311	P301-T311 PolarHBondContact O-OG1 2.9Å
302	P	95.9	Very high	95.5	Very high	122 Å²	122	53 Å²	53	79%	0.792	29%	0.291	S	S	*	.	P	Polyproline II helix	trans	-69	133.8	-178	26.4	-33.4	0	0	0	112.2	T311	P302-T311 WeakPolarHBondContact CA-OG1 3.38Å
303	L	96.9	Very high	95.5	Very high	57 Å²	57	53.1 Å²	53.1	30%	0.298	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-95.6	155.7	171	-65.8	178.8	0	0	0	110	C305 T311 R318 L329	L303-C305 PolarHBondContact O-N 3.21Å; L303-T311 HydrophobicContact CD1-CG2 4.17Å; L303-T311 HydrophobicContact CG-CG2 4.1Å; L303-T311 PolarHBondContact N-OG1 3.22Å; L303-R318 VanDerWaalsContact CD1-C 3.46Å; L303-L329 HydrophobicContact CB-CD2 4.36Å
304	K	96.7	Very high	95.6	Very high	192 Å²	192	53.3 Å²	53.3	84%	0.835	29%	0.292	S	S	*	.			trans	-78.3	63.8	172.9	-65.2	-175.3	178.9	-179.5	0	111.2
305	C	96.9	Very high	95.7	Very high	29 Å²	29	57.9 Å²	57.9	20%	0.196	31%	0.308	C	S	.	.			trans	-66.5	143.5	178.3	-56.5	0	0	0	0	111.3	L303 G309 Y310 C319	L303-C305 PolarHBondContact O-N 3.21Å; C305-G309 WeakPolarHBondContact CB-O 3.11Å; C305-Y310 VanDerWaalsContact SG-CA 3.57Å; C305-C319 WeakPolarHBondContact CA-SG 3.38Å; C305-C319 HydrophobicContact CB-CB 3.77Å; C305-C319 WeakPolarHBondContact CB-SG 3.34Å; C305-C319 WeakPolarHBondContact SG-CB 3.24Å; C305-C319 CovalentContact SG-SG 2.02Å; C305-C319 PolarHBondContact SG-SG 2.82Å
306	Q	94.3	Very high	95.8	Very high	90 Å²	90	60.1 Å²	60.1	42%	0.421	32%	0.324	S	S	.	.			trans	-103.4	166.2	-179.6	-58.1	-175.5	35.1	0	0	111.4	G308 G309 L329	Q306-G308 PolarHBondContact O-N 3.49Å; Q306-G308 VanDerWaalsContact O-N 3.13Å; Q306-G309 PolarHBondContact O-N 3.2Å; Q306-L329 WeakPolarHBondContact CB-O 2.96Å; Q306-L329 PolarHBondContact N-O 2.67Å
307	R	91.1	Very high	95.8	Very high	51 Å²	51	63.9 Å²	63.9	19%	0.192	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	56	32.5	169.3	-50.3	-173.7	-179.2	-86.3	-4	114.4	G309 P322 F325 C330 L372 F412 D435	R307-G309 VanDerWaalsContact C-N 3.33Å; R307-P322 WeakPolarHBondContact O-CG 3.13Å; R307-F325 HydrophobicContact CB-CD2 3.98Å; R307-F325 HydrophobicContact CB-CE2 3.94Å; R307-F325 HydrophobicContact CB-CG 4.47Å; R307-F325 HydrophobicContact CB-CZ 4.42Å; R307-F325 HydrophobicContact CG-CE2 4.45Å; R307-F325 HydrophobicContact CG-CZ 4.47Å; R307-C330 WeakPolarHBondContact CD-O 3.34Å; R307-L372 VanDerWaalsContact NH1-CD2 3.27Å; R307-F412 HydrophobicContact CB-CD2 4.13Å; R307-D435 IonicContact NH1-OD2 3.21Å; R307-D435 PolarHBondContact NH1-OD2 2.93Å
308	G	91.4	Very high	96	Very high	22 Å²	22	64 Å²	64	23%	0.227	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.8	3.1	-178.5	0	0	0	0	0	114.8	F285 Q306	F285-G308 WeakPolarHBondContact CE1-O 3.26Å; Q306-G308 PolarHBondContact O-N 3.49Å; Q306-G308 VanDerWaalsContact O-N 3.13Å
309	G	96.3	Very high	96.2	Very high	13 Å²	13	57.9 Å²	57.9	13%	0.134	31%	0.311	C	S	.	.			trans	-64.7	163.4	170.4	0	0	0	0	0	113.1	C305 Q306 R307 R320	C305-G309 WeakPolarHBondContact CB-O 3.11Å; Q306-G309 PolarHBondContact O-N 3.2Å; R307-G309 VanDerWaalsContact C-N 3.33Å; G309-R320 VanDerWaalsContact CA-O 3.29Å; G309-R320 WeakPolarHBondContact CA-O 3.39Å
310	Y	97	Very high	96.2	Very high	21 Å²	21	57.4 Å²	57.4	8%	0.082	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	165	175.9	66.5	-85	0	0	0	110.4	F285 I288 R289 N292 C305 D312 C319 R320	F285-Y310 AromaticContact CE1-CD1 3.82Å; F285-Y310 HydrophobicContact CE1-CD1 3.82Å; F285-Y310 AromaticContact CE1-CE1 3.78Å; F285-Y310 HydrophobicContact CE1-CE1 3.78Å; F285-Y310 HydrophobicContact CE2-CD1 4.31Å; F285-Y310 AromaticContact CE2-CE1 3.84Å; F285-Y310 HydrophobicContact CE2-CE1 3.84Å; F285-Y310 AromaticContact CZ-CD1 3.42Å; F285-Y310 HydrophobicContact CZ-CD1 3.42Å; F285-Y310 VanDerWaalsContact CZ-CD1 3.42Å; F285-Y310 AromaticContact CZ-CE1 3.34Å; F285-Y310 HydrophobicContact CZ-CE1 3.34Å; I288-Y310 WeakPolarHBondContact CG2-OH 3.47Å; R289-Y310 HydrophobicContact CB-CD1 4.09Å; R289-Y310 HydrophobicContact CB-CE1 3.59Å; R289-Y310 HydrophobicContact CG-CD1 3.7Å; R289-Y310 HydrophobicContact CG-CE1 3.73Å; R289-Y310 HydrophobicContact CG-CG 4.28Å; N292-Y310 HydrophobicContact CB-CE2 3.98Å; N292-Y310 PolarHBondContact ND2-OH 3.38Å; C305-Y310 VanDerWaalsContact SG-CA 3.57Å; Y310-D312 PolarHBondContact O-N 3.05Å; Y310-C319 CarbonylContact O-C 3.6Å; Y310-C319 VanDerWaalsContact O-CA 3.24Å; Y310-C319 WeakPolarHBondContact O-CA 3.41Å; Y310-R320 HydrophobicContact CE1-CB 4.21Å; Y310-R320 HydrophobicContact CE2-CB 4.43Å; Y310-R320 PolarHBondContact N-O 2.94Å; Y310-R320 PolarHBondContact O-N 3.43Å; Y310-R320 WeakPolarHBondContact OH-CD 3.36Å
311	T	97.9	Very high	96.2	Very high	21 Å²	21	57.8 Å²	57.8	13%	0.129	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	130.8	-178.6	-53.8	0	0	0	0	110.9	C300 P301 P302 L303 P313	C300-T311 HydrophobicContact CB-CG2 3.6Å; P301-T311 PolarHBondContact O-OG1 2.9Å; P302-T311 WeakPolarHBondContact CA-OG1 3.38Å; L303-T311 HydrophobicContact CD1-CG2 4.17Å; L303-T311 HydrophobicContact CG-CG2 4.1Å; L303-T311 PolarHBondContact N-OG1 3.22Å; T311-P313 WeakPolarHBondContact O-CD 3.01Å
312	D	97.4	Very high	96.3	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.011	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	115.8	177	-174.3	-21	0	0	0	109.7	C300 Y310 K314 R315 C316 R318 R320	C300-D312 PolarHBondContact SG-O 3.07Å; Y310-D312 PolarHBondContact O-N 3.05Å; D312-K314 PolarHBondContact O-N 3.3Å; D312-K314 WeakPolarHBondContact OD1-CB 3.35Å; D312-K314 PolarHBondContact OD1-N 2.76Å; D312-R315 HydrophobicContact CB-CB 4.25Å; D312-R315 CarbonylContact O-C 3.5Å; D312-R315 PolarHBondContact O-N 3.07Å; D312-R315 IonicContact OD2-CZ 3.25Å; D312-R315 IonicContact OD2-NE 3.35Å; D312-R315 PolarHBondContact OD2-NE 2.66Å; D312-R315 IonicContact OD2-NH2 2.89Å; D312-R315 PolarHBondContact OD2-NH2 3.47Å; D312-C316 PolarHBondContact O-N 2.9Å; D312-R318 WeakPolarHBondContact CB-O 3.29Å; D312-R318 PolarHBondContact N-O 3.31Å; D312-R320 HydrophobicContact CB-CB 4.21Å
313	P	96.7	Very high	96.3	Very high	10 Å²	10	49.8 Å²	49.8	7%	0.065	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.2	-177.7	25.9	-31.7	0	0	0	113.3	N292 C296 V299 T311	N292-P313 HydrophobicContact CB-CG 4.4Å; N292-P313 VanDerWaalsContact OD1-CG 3.27Å; N292-P313 WeakPolarHBondContact OD1-CG 3.38Å; C296-P313 HydrophobicContact CB-CB 3.86Å; C296-P313 HydrophobicContact CB-CG 4.15Å; V299-P313 HydrophobicContact CB-CB 4.31Å; V299-P313 HydrophobicContact CG1-CB 4.38Å; V299-P313 VanDerWaalsContact CG1-O 3.31Å; V299-P313 WeakPolarHBondContact CG1-O 3.37Å; T311-P313 WeakPolarHBondContact O-CD 3.01Å
314	K	95.3	Very high	96.3	Very high	70 Å²	70	47 Å²	47	30%	0.304	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-20.5	170.9	-70.2	-55.8	-145.5	-139.1	0	113.1	E137 T140 D312	E137-K314 WeakPolarHBondContact O-CE 3.02Å; E137-K314 PolarHBondContact O-NZ 3.17Å; T140-K314 WeakPolarHBondContact O-CD 3.44Å; T140-K314 WeakPolarHBondContact O-CE 3.26Å; T140-K314 PolarHBondContact O-NZ 3.41Å; D312-K314 PolarHBondContact O-N 3.3Å; D312-K314 WeakPolarHBondContact OD1-CB 3.35Å; D312-K314 PolarHBondContact OD1-N 2.76Å
315	R	95.8	Very high	96.4	Very high	120 Å²	120	38.3 Å²	38.3	45%	0.453	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	76.1	-173.8	-63	179.7	-64.7	-165.4	-1.8	109.4	D312 S317 R318	D312-R315 HydrophobicContact CB-CB 4.25Å; D312-R315 CarbonylContact O-C 3.5Å; D312-R315 PolarHBondContact O-N 3.07Å; D312-R315 IonicContact OD2-CZ 3.25Å; D312-R315 IonicContact OD2-NE 3.35Å; D312-R315 PolarHBondContact OD2-NE 2.66Å; D312-R315 IonicContact OD2-NH2 2.89Å; D312-R315 PolarHBondContact OD2-NH2 3.47Å; R315-S317 PolarHBondContact O-N 2.96Å; R315-R318 HydrophobicContact CB-CG 3.79Å; R315-R318 PolarHBondContact O-N 3.41Å; R315-R318 VanDerWaalsContact O-O 3.12Å
316	C	97.3	Very high	96.4	Very high	55 Å²	55	38.9 Å²	38.9	37%	0.372	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	-16.8	-176.3	-56.5	0	0	0	0	114.9	C300 D312 R318	C300-C316 HydrophobicContact CB-CB 3.6Å; C300-C316 WeakPolarHBondContact CB-SG 3.46Å; C300-C316 WeakPolarHBondContact SG-CA 3.44Å; C300-C316 WeakPolarHBondContact SG-CB 3.25Å; C300-C316 CovalentContact SG-SG 2.03Å; C300-C316 PolarHBondContact SG-SG 3.16Å; D312-C316 PolarHBondContact O-N 2.9Å; C316-R318 VanDerWaalsContact C-N 3.31Å
317	S	97.2	Very high	96.5	Very high	85 Å²	85	35.1 Å²	35.1	59%	0.594	19%	0.186	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	-4.5	177.1	61.7	0	0	0	0	114.3	R315 K328	R315-S317 PolarHBondContact O-N 2.96Å; S317-K328 WeakPolarHBondContact O-CE 3.48Å; S317-K328 WeakPolarHBondContact O-CG 3.44Å
318	R	97.4	Very high	96.8	Very high	80 Å²	80	39.1 Å²	39.1	30%	0.302	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	161.6	-179.3	64.2	179.4	-67.7	170.7	4.1	113	L303 D312 R315 C316 K328	L303-R318 VanDerWaalsContact CD1-C 3.46Å; D312-R318 WeakPolarHBondContact CB-O 3.29Å; D312-R318 PolarHBondContact N-O 3.31Å; R315-R318 HydrophobicContact CB-CG 3.79Å; R315-R318 PolarHBondContact O-N 3.41Å; R315-R318 VanDerWaalsContact O-O 3.12Å; C316-R318 VanDerWaalsContact C-N 3.31Å; R318-K328 HydrophobicContact CB-CG 4.27Å
319	C	98.3	Very high	97.1	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	147.8	172	-59.2	0	0	0	0	111.2	C305 Y310 K328 C330	C305-C319 WeakPolarHBondContact CA-SG 3.38Å; C305-C319 HydrophobicContact CB-CB 3.77Å; C305-C319 WeakPolarHBondContact CB-SG 3.34Å; C305-C319 WeakPolarHBondContact SG-CB 3.24Å; C305-C319 CovalentContact SG-SG 2.02Å; C305-C319 PolarHBondContact SG-SG 2.82Å; Y310-C319 CarbonylContact O-C 3.6Å; Y310-C319 VanDerWaalsContact O-CA 3.24Å; Y310-C319 WeakPolarHBondContact O-CA 3.41Å; C319-K328 WeakPolarHBondContact CB-O 3.17Å; C319-K328 PolarHBondContact N-O 3.39Å; C319-K328 PolarHBondContact SG-O 2.87Å; C319-C330 WeakPolarHBondContact CB-SG 3.26Å
320	R	97.3	Very high	97.2	Very high	49 Å²	49	40 Å²	40	19%	0.185	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	126.5	157.2	-162.9	-172.6	-178.1	78.1	3.3	107.9	F285 I288 G309 Y310 D312	F285-R320 HydrophobicContact CE2-CB 4.37Å; F285-R320 HydrophobicContact CE2-CG 3.98Å; I288-R320 VanDerWaalsContact CD1-NH2 3.34Å; G309-R320 VanDerWaalsContact CA-O 3.29Å; G309-R320 WeakPolarHBondContact CA-O 3.39Å; Y310-R320 HydrophobicContact CE1-CB 4.21Å; Y310-R320 HydrophobicContact CE2-CB 4.43Å; Y310-R320 PolarHBondContact N-O 2.94Å; Y310-R320 PolarHBondContact O-N 3.43Å; Y310-R320 WeakPolarHBondContact OH-CD 3.36Å; D312-R320 HydrophobicContact CB-CB 4.21Å
321	C	97.5	Very high	97.1	Very high	25 Å²	25	42.2 Å²	42.2	17%	0.169	22%	0.215	C	C	.	.			trans	-104.5	141.6	-173	-57.6	0	0	0	0	111.9	F285 F325 C330	F285-C321 WeakPolarHBondContact CE2-O 2.99Å; C321-F325 HydrophobicContact CB-CB 4.21Å; C321-F325 WeakPolarHBondContact CB-O 3.46Å; C321-C330 WeakPolarHBondContact CA-SG 3.46Å; C321-C330 HydrophobicContact CB-CB 3.7Å; C321-C330 WeakPolarHBondContact CB-SG 3.43Å; C321-C330 WeakPolarHBondContact SG-CA 3.35Å; C321-C330 WeakPolarHBondContact SG-CB 3.44Å; C321-C330 CovalentContact SG-SG 2.04Å; C321-C330 PolarHBondContact SG-SG 3.4Å
322	P	97.2	Very high	97.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.			trans	-58.5	151.3	167.3	-23.5	35.5	0	0	0	110.7	F285 R307 G324 F325 F412 A413	F285-P322 HydrophobicContact CD1-CB 4.44Å; F285-P322 HydrophobicContact CD1-CG 4.13Å; F285-P322 HydrophobicContact CD2-CB 4.41Å; F285-P322 HydrophobicContact CD2-CG 4.44Å; F285-P322 HydrophobicContact CE1-CG 3.82Å; F285-P322 HydrophobicContact CE2-CG 4.17Å; F285-P322 HydrophobicContact CG-CB 4.33Å; F285-P322 HydrophobicContact CG-CG 4.41Å; F285-P322 HydrophobicContact CZ-CG 3.83Å; R307-P322 WeakPolarHBondContact O-CG 3.13Å; P322-G324 PolarHBondContact O-N 3.14Å; P322-F325 HydrophobicContact CB-CD2 4.36Å; P322-F325 PolarHBondContact O-N 2.9Å; P322-F325 VanDerWaalsContact O-N 3.08Å; P322-F412 WeakPolarHBondContact CB-O 3.41Å; P322-A413 HydrophobicContact CG-CB 4.27Å
323	D	96.1	Very high	97.1	Very high	52 Å²	52	47.6 Å²	47.6	28%	0.278	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	135.6	177.1	-175	21.5	0	0	0	110.2	M334 R407 L437 L439 R441	D323-M334 WeakPolarHBondContact OD1-CE 2.73Å; D323-R407 PolarHBondContact O-NH1 3.1Å; D323-L437 WeakPolarHBondContact O-CD2 3.46Å; D323-L439 HydrophobicContact CB-CD1 4.21Å; D323-R441 VanDerWaalsContact CG-NH2 3.35Å; D323-R441 IonicContact OD1-CZ 3.87Å; D323-R441 IonicContact OD1-NE 3.49Å; D323-R441 IonicContact OD1-NH2 2.66Å; D323-R441 PolarHBondContact OD1-NH2 3.31Å; D323-R441 IonicContact OD2-CZ 2.84Å; D323-R441 IonicContact OD2-NE 3.56Å; D323-R441 PolarHBondContact OD2-NE 3.32Å; D323-R441 IonicContact OD2-NH2 3.79Å; D323-R441 PolarHBondContact OD2-NH2 2.98Å
324	G	97.3	Very high	97.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.1	-15.6	-171.1	0	0	0	0	0	115.4	P322 M334	P322-G324 PolarHBondContact O-N 3.14Å; G324-M334 WeakPolarHBondContact O-CB 3.32Å; G324-M334 PolarHBondContact O-N 3.35Å
325	F	98	Very high	97.2	Very high	9 Å²	9	48.8 Å²	48.8	4%	0.039	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	154	-179.5	-56.8	-62.4	0	0	0	113.2	R307 C321 P322 C330 Q332 L372 F412 L437	R307-F325 HydrophobicContact CB-CD2 3.98Å; R307-F325 HydrophobicContact CB-CE2 3.94Å; R307-F325 HydrophobicContact CB-CG 4.47Å; R307-F325 HydrophobicContact CB-CZ 4.42Å; R307-F325 HydrophobicContact CG-CE2 4.45Å; R307-F325 HydrophobicContact CG-CZ 4.47Å; C321-F325 HydrophobicContact CB-CB 4.21Å; C321-F325 WeakPolarHBondContact CB-O 3.46Å; P322-F325 HydrophobicContact CB-CD2 4.36Å; P322-F325 PolarHBondContact O-N 2.9Å; P322-F325 VanDerWaalsContact O-N 3.08Å; F325-C330 HydrophobicContact CB-CB 4.29Å; F325-Q332 CarbonylContact C-O 3.58Å; F325-Q332 VanDerWaalsContact CA-O 3.29Å; F325-Q332 WeakPolarHBondContact CA-O 3.28Å; F325-L372 HydrophobicContact CE1-CD1 4.27Å; F325-L372 HydrophobicContact CE1-CD2 4.27Å; F325-L372 HydrophobicContact CZ-CD1 4.31Å; F325-F412 HydrophobicContact CE2-CB 3.72Å; F325-F412 HydrophobicContact CE2-CD1 4.42Å; F325-F412 HydrophobicContact CE2-CD2 4.32Å; F325-F412 AromaticContact CE2-CG 3.92Å; F325-F412 HydrophobicContact CE2-CG 3.92Å; F325-F412 HydrophobicContact CZ-CB 4.48Å; F325-F412 HydrophobicContact CZ-CD1 4.45Å; F325-F412 HydrophobicContact CZ-CD2 4.39Å; F325-F412 HydrophobicContact CZ-CG 4.21Å; F325-L437 HydrophobicContact CD2-CD2 4.33Å; F325-L437 HydrophobicContact CE1-CD1 4.2Å; F325-L437 HydrophobicContact CE2-CD2 3.5Å; F325-L437 HydrophobicContact CZ-CB 4.26Å; F325-L437 HydrophobicContact CZ-CD1 3.93Å; F325-L437 HydrophobicContact CZ-CD2 3.61Å; F325-L437 HydrophobicContact CZ-CG 4.14Å
326	T	97.1	Very high	97.1	Very high	40 Å²	40	44.3 Å²	44.3	25%	0.245	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	-173.5	179.1	-167.8	0	0	0	0	110.3	C330 D331 Q332	T326-C330 CarbonylContact O-C 3.56Å; T326-C330 VanDerWaalsContact O-CA 3.28Å; T326-C330 WeakPolarHBondContact O-CA 3.44Å; T326-D331 PolarHBondContact O-N 3.48Å; T326-Q332 HydrophobicContact CG2-CB 3.82Å; T326-Q332 PolarHBondContact N-O 3.07Å; T326-Q332 PolarHBondContact O-N 3.49Å; T326-Q332 VanDerWaalsContact O-N 3.13Å
327	G	96.6	Very high	97	Very high	12 Å²	12	45.8 Å²	45.8	12%	0.124	25%	0.245	C	C	.	.	S	Bend	trans	94.8	177.8	-174	0	0	0	0	0	112.4	L329	G327-L329 VanDerWaalsContact C-N 3.32Å
328	K	97.7	Very high	96.9	Very high	135 Å²	135	46.5 Å²	46.5	59%	0.587	24%	0.242	S	C	*	.	S	Bend	trans	-67.3	-35.7	-179.8	-172.8	-177.1	-177.2	-176	0	111.4	S317 R318 C319	S317-K328 WeakPolarHBondContact O-CE 3.48Å; S317-K328 WeakPolarHBondContact O-CG 3.44Å; R318-K328 HydrophobicContact CB-CG 4.27Å; C319-K328 WeakPolarHBondContact CB-O 3.17Å; C319-K328 PolarHBondContact N-O 3.39Å; C319-K328 PolarHBondContact SG-O 2.87Å
329	L	98	Very high	96.7	Very high	53 Å²	53	43.8 Å²	43.8	28%	0.277	24%	0.237	S	C	.	.	S	Bend	trans	-118.1	14.5	-174.3	-60.1	-179.5	0	0	0	113.4	L303 Q306 G327 D331	L303-L329 HydrophobicContact CB-CD2 4.36Å; Q306-L329 WeakPolarHBondContact CB-O 2.96Å; Q306-L329 PolarHBondContact N-O 2.67Å; G327-L329 VanDerWaalsContact C-N 3.32Å; L329-D331 PolarHBondContact N-OD1 2.85Å; L329-D331 PolarHBondContact O-N 3.43Å
330	C	97.5	Very high	96.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	62.9	30.7	-176.6	-45.1	0	0	0	0	113.5	R307 C319 C321 F325 T326	R307-C330 WeakPolarHBondContact CD-O 3.34Å; C319-C330 WeakPolarHBondContact CB-SG 3.26Å; C321-C330 WeakPolarHBondContact CA-SG 3.46Å; C321-C330 HydrophobicContact CB-CB 3.7Å; C321-C330 WeakPolarHBondContact CB-SG 3.43Å; C321-C330 WeakPolarHBondContact SG-CA 3.35Å; C321-C330 WeakPolarHBondContact SG-CB 3.44Å; C321-C330 CovalentContact SG-SG 2.04Å; C321-C330 PolarHBondContact SG-SG 3.4Å; F325-C330 HydrophobicContact CB-CB 4.29Å; T326-C330 CarbonylContact O-C 3.56Å; T326-C330 VanDerWaalsContact O-CA 3.28Å; T326-C330 WeakPolarHBondContact O-CA 3.44Å
331	D	96.2	Very high	96.5	Very high	68 Å²	68	51.1 Å²	51.1	36%	0.364	28%	0.282	S	S	.	.			trans	-88.9	-16.8	-177	57.2	-54.7	0	0	0	113.1	T326 L329	T326-D331 PolarHBondContact O-N 3.48Å; L329-D331 PolarHBondContact N-OD1 2.85Å; L329-D331 PolarHBondContact O-N 3.43Å
332	Q	97.4	Very high	96.5	Very high	107 Å²	107	51.1 Å²	51.1	50%	0.5	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	146.6	-177	-58.6	174.4	-0.2	0	0	111.2	F325 T326	F325-Q332 CarbonylContact C-O 3.58Å; F325-Q332 VanDerWaalsContact CA-O 3.29Å; F325-Q332 WeakPolarHBondContact CA-O 3.28Å; T326-Q332 HydrophobicContact CG2-CB 3.82Å; T326-Q332 PolarHBondContact N-O 3.07Å; T326-Q332 PolarHBondContact O-N 3.49Å; T326-Q332 VanDerWaalsContact O-N 3.13Å
333	V	97.8	Very high	96.5	Very high	28 Å²	28	52.3 Å²	52.3	17%	0.17	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	134	171.3	-174.2	0	0	0	0	108.4	L344 S370 L372	V333-L344 HydrophobicContact CG2-CB 4.3Å; V333-S370 VanDerWaalsContact CG1-O 3.24Å; V333-S370 WeakPolarHBondContact CG1-O 3.12Å; V333-L372 HydrophobicContact CG1-CB 4.49Å; V333-L372 HydrophobicContact CG2-CB 3.56Å; V333-L372 HydrophobicContact CG2-CD2 3.8Å; V333-L372 HydrophobicContact CG2-CG 4.36Å
334	M	96.9	Very high	96.6	Very high	11 Å²	11	53.7 Å²	53.7	5%	0.054	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-65	127.3	177.7	-173.1	164.8	64.5	0	0	110.5	R8 D323 G324	R8-M334 PolarHBondContact NH1-SD 2.99Å; R8-M334 PolarHBondContact NH2-SD 3.34Å; R8-M334 VanDerWaalsContact NH2-SD 3.43Å; D323-M334 WeakPolarHBondContact OD1-CE 2.73Å; G324-M334 WeakPolarHBondContact O-CB 3.32Å; G324-M334 PolarHBondContact O-N 3.35Å
335	P	96.2	Very high	96.6	Very high	94 Å²	94	55.2 Å²	55.2	61%	0.61	32%	0.315	S	S	*	.	P	Polyproline II helix	trans	-65.9	157.8	179.1	28.4	-35.3	0	0	0	111.1
336	G	95.2	Very high	96.6	Very high	26 Å²	26	63.9 Å²	63.9	27%	0.268	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-60.9	145.7	173.7	0	0	0	0	0	112.2	A339 C341 E368	G336-A339 CarbonylContact C-O 3.5Å; G336-C341 PolarHBondContact N-O 3.34Å; G336-E368 CarbonylContact C-O 3.56Å; G336-E368 WeakPolarHBondContact CA-O 3.41Å
337	F	95.3	Very high	96.7	Very high	86 Å²	86	62.2 Å²	62.2	38%	0.377	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-111.6	130.3	175.9	-176.4	-94.7	0	0	0	109.7	A339 G366 Q367 E368	F337-A339 PolarHBondContact O-N 3.24Å; F337-G366 WeakPolarHBondContact CD1-O 3.35Å; F337-Q367 WeakPolarHBondContact O-CA 3.36Å; F337-E368 HydrophobicContact CB-CB 3.94Å; F337-E368 HydrophobicContact CB-CG 4.18Å; F337-E368 PolarHBondContact N-O 3.04Å; F337-E368 PolarHBondContact O-N 2.73Å; F337-E368 VanDerWaalsContact O-N 3.11Å
338	D	93.4	Very high	96.6	Very high	100 Å²	100	65.6 Å²	65.6	54%	0.535	35%	0.352	S	S	.	.	S	Bend	trans	50.6	22.8	-172.9	-162.1	35.8	0	0	0	114.3	Q367	D338-Q367 HydrophobicContact CB-CG 4.29Å; D338-Q367 PolarHBondContact O-NE2 3.19Å
339	A	93.1	Very high	96.4	Very high	23 Å²	23	63.5 Å²	63.5	19%	0.19	36%	0.355	C	S	.	.	S	Bend	trans	-159.9	142	-179.8	0	0	0	0	0	110.7	G336 F337 C341 P357 Q367	G336-A339 CarbonylContact C-O 3.5Å; F337-A339 PolarHBondContact O-N 3.24Å; A339-C341 VanDerWaalsContact CB-SG 3.55Å; A339-C341 PolarHBondContact O-N 3.13Å; A339-P357 HydrophobicContact CB-CB 4.02Å; A339-P357 HydrophobicContact CB-CG 3.56Å; A339-Q367 HydrophobicContact CB-CB 4.34Å; A339-Q367 HydrophobicContact CB-CG 4.25Å
340	N	94.9	Very high	96.4	Very high	180 Å²	180	70.4 Å²	70.4	96%	0.963	38%	0.377	S	S	*	.	S	Bend	trans	-89.3	85	170.9	-171.7	12.2	0	0	0	109.7
341	C	96.9	Very high	96.4	Very high	24 Å²	24	73.1 Å²	73.1	16%	0.162	39%	0.387	C	S	.	.			trans	-152.7	165.5	-176	57.5	0	0	0	0	111.2	G336 A339 C369 W371	G336-C341 PolarHBondContact N-O 3.34Å; A339-C341 VanDerWaalsContact CB-SG 3.55Å; A339-C341 PolarHBondContact O-N 3.13Å; C341-C369 HydrophobicContact CB-CB 3.82Å; C341-C369 WeakPolarHBondContact CB-SG 3.44Å; C341-C369 WeakPolarHBondContact SG-CB 3.3Å; C341-C369 CovalentContact SG-SG 2.01Å; C341-C369 PolarHBondContact SG-SG 3.1Å; C341-W371 HydrophobicContact CB-CZ2 3.97Å
342	G	97.2	Very high	96.5	Very high	25 Å²	25	72.1 Å²	72.1	26%	0.258	38%	0.383	S	S	.	.			trans	90.8	-160	179.4	0	0	0	0	0	114	S370 W371	G342-S370 CarbonylContact C-O 3.53Å; G342-S370 WeakPolarHBondContact CA-O 3.18Å; G342-W371 VanDerWaalsContact CA-CD1 3.46Å
343	G	97.6	Very high	96.5	Very high	26 Å²	26	72.3 Å²	72.3	27%	0.268	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	104.5	-177.7	179.7	0	0	0	0	0	114.2	S370 W371 L372	G343-S370 PolarHBondContact N-O 2.9Å; G343-W371 WeakPolarHBondContact O-CA 3.38Å; G343-L372 PolarHBondContact O-N 3.05Å
344	L	98	Very high	96.5	Very high	81 Å²	81	71.6 Å²	71.6	42%	0.424	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	118.9	173.2	172.4	67.9	0	0	0	109.6	V333 L372 K374	V333-L344 HydrophobicContact CG2-CB 4.3Å; L344-L372 HydrophobicContact CD1-CB 4.4Å; L344-L372 HydrophobicContact CD1-CD2 3.74Å; L344-L372 HydrophobicContact CD1-CG 4Å; L344-K374 HydrophobicContact CD1-CB 3.98Å; L344-K374 HydrophobicContact CD1-CD 4.43Å
345	V	98.1	Very high	96.5	Very high	32 Å²	32	73.9 Å²	73.9	19%	0.194	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	107.3	179.9	-174.3	0	0	0	0	109.2	V347 V352 L372 F373 K374	V345-V347 HydrophobicContact CG1-CG1 4.23Å; V345-V347 PolarHBondContact O-N 3.31Å; V345-V352 HydrophobicContact CG1-CG1 3.91Å; V345-L372 PolarHBondContact N-O 2.84Å; V345-F373 HydrophobicContact CB-CD1 3.65Å; V345-F373 HydrophobicContact CB-CE1 3.82Å; V345-F373 HydrophobicContact CG1-CD1 3.79Å; V345-F373 HydrophobicContact CG1-CE1 3.79Å; V345-F373 HydrophobicContact CG2-CD1 4.38Å; V345-F373 HydrophobicContact CG2-CE1 4.13Å; V345-F373 CarbonylContact O-C 3.38Å; V345-F373 VanDerWaalsContact O-CA 3.3Å; V345-F373 WeakPolarHBondContact O-CA 3.02Å; V345-K374 PolarHBondContact O-N 3.31Å
346	R	98.3	Very high	96.5	Very high	190 Å²	190	69.4 Å²	69.4	72%	0.717	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76	123.2	171.5	-69.1	-175.5	174	88.1	-3.4	109	K374	R346-K374 WeakPolarHBondContact CA-O 3.17Å
347	V	98	Very high	96.6	Very high	5 Å²	5	68.9 Å²	68.9	3%	0.03	35%	0.35	C	S	.	.			trans	-107.1	150.2	-179.2	-68.2	0	0	0	0	111.1	V345 V352 F373 K374 A375 P376 V381 A454 A456	V345-V347 HydrophobicContact CG1-CG1 4.23Å; V345-V347 PolarHBondContact O-N 3.31Å; V347-V352 HydrophobicContact CG1-CB 4.45Å; V347-V352 HydrophobicContact CG1-CG2 4.22Å; V347-F373 HydrophobicContact CG1-CB 4.48Å; V347-F373 HydrophobicContact CG1-CD1 3.7Å; V347-K374 PolarHBondContact N-O 3.12Å; V347-A375 HydrophobicContact CG2-CB 4.25Å; V347-P376 WeakPolarHBondContact O-CD 3.46Å; V347-V381 HydrophobicContact CG2-CG2 4.09Å; V347-A454 HydrophobicContact CG1-CB 4.3Å; V347-A456 HydrophobicContact CG2-CB 4.22Å
348	N	95.6	Very high	96.5	Very high	84 Å²	84	69.1 Å²	69.1	45%	0.449	36%	0.355	S	S	.	.			trans	-129.1	-165.8	173.3	61.5	40.9	0	0	0	108.9	R350 R455 A456	N348-R350 PolarHBondContact O-N 3.42Å; N348-R350 VanDerWaalsContact O-N 3.17Å; N348-R350 WeakPolarHBondContact OD1-CA 3.29Å; N348-R350 VanDerWaalsContact OD1-CB 3.28Å; N348-R350 WeakPolarHBondContact OD1-CB 3.46Å; N348-R350 PolarHBondContact OD1-N 3.44Å; N348-R455 CarbonylContact O-C 3.51Å; N348-R455 WeakPolarHBondContact O-CA 3.37Å; N348-R455 WeakPolarHBondContact O-CB 3.4Å; N348-A456 PolarHBondContact O-N 3.15Å
349	S	93.9	Very high	96.6	Very high	91 Å²	91	65.7 Å²	65.7	64%	0.636	34%	0.335	S	S	*	.	S	Bend	trans	-64	-17.2	-179.5	56.6	0	0	0	0	114.7	R455	S349-R455 WeakPolarHBondContact O-CD 3.5Å
350	R	96.4	Very high	96.5	Very high	197 Å²	197	68.2 Å²	68.2	74%	0.743	35%	0.35	S	S	*	.	S	Bend	trans	-85.5	146.9	175.3	-58	-176.4	179.6	-174.3	-0.1	110.9	N348 V352 R455	N348-R350 PolarHBondContact O-N 3.42Å; N348-R350 VanDerWaalsContact O-N 3.17Å; N348-R350 WeakPolarHBondContact OD1-CA 3.29Å; N348-R350 VanDerWaalsContact OD1-CB 3.28Å; N348-R350 WeakPolarHBondContact OD1-CB 3.46Å; N348-R350 PolarHBondContact OD1-N 3.44Å; R350-V352 PolarHBondContact O-N 2.85Å; R350-R455 WeakPolarHBondContact O-CB 3.47Å
351	W	98	Very high	96.4	Very high	57 Å²	57	67.4 Å²	67.4	22%	0.216	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-67.2	127.2	176.6	-69.8	114.6	0	0	0	112.2	Y353 E382 E384 R453 R455	W351-Y353 HydrophobicContact CB-CE2 3.9Å; W351-E382 HydrophobicContact CH2-CG 4.08Å; W351-E382 WeakPolarHBondContact CH2-OE2 3.06Å; W351-E384 HydrophobicContact CH2-CB 4.36Å; W351-R453 HydrophobicContact CB-CB 4.43Å; W351-R453 HydrophobicContact CD2-CB 4.25Å; W351-R453 HydrophobicContact CD2-CG 3.91Å; W351-R453 HydrophobicContact CE3-CB 3.68Å; W351-R453 HydrophobicContact CE3-CG 3.45Å; W351-R453 VanDerWaalsContact CE3-CG 3.45Å; W351-R453 HydrophobicContact CH2-CG 4.29Å; W351-R453 HydrophobicContact CZ3-CB 4.24Å; W351-R453 HydrophobicContact CZ3-CG 3.67Å; W351-R455 HydrophobicContact CD2-CB 4.22Å; W351-R455 HydrophobicContact CD2-CG 4.07Å; W351-R455 HydrophobicContact CE3-CB 3.8Å; W351-R455 HydrophobicContact CE3-CG 3.71Å; W351-R455 HydrophobicContact CH2-CG 3.9Å; W351-R455 HydrophobicContact CZ2-CG 4.21Å; W351-R455 HydrophobicContact CZ3-CB 4.14Å; W351-R455 HydrophobicContact CZ3-CG 3.62Å
352	V	98.1	Very high	96.2	Very high	47 Å²	47	68.6 Å²	68.6	29%	0.285	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127.3	165.8	-179.4	0	0	0	0	108.1	V345 V347 R350 R453 A454	V345-V352 HydrophobicContact CG1-CG1 3.91Å; V347-V352 HydrophobicContact CG1-CB 4.45Å; V347-V352 HydrophobicContact CG1-CG2 4.22Å; R350-V352 PolarHBondContact O-N 2.85Å; V352-R453 CarbonylContact O-C 3.53Å; V352-R453 WeakPolarHBondContact O-CA 3.25Å; V352-A454 PolarHBondContact N-O 3.45Å; V352-A454 PolarHBondContact O-N 2.86Å
353	Y	97.8	Very high	96	Very high	111 Å²	111	67.5 Å²	67.5	44%	0.435	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	143.7	-177.6	-64.8	-94.8	0	0	0	111.2	W351 I386 A452 R453	W351-Y353 HydrophobicContact CB-CE2 3.9Å; Y353-I386 HydrophobicContact CD1-CD1 3.8Å; Y353-I386 HydrophobicContact CE1-CD1 3.68Å; Y353-A452 WeakPolarHBondContact CA-O 3.5Å; Y353-R453 HydrophobicContact CD1-CB 3.81Å; Y353-R453 HydrophobicContact CE1-CB 3.92Å; Y353-R453 HydrophobicContact CE1-CG 4.44Å; Y353-R453 HydrophobicContact CG-CB 4.34Å
354	F	97.6	Very high	95.8	Very high	14 Å²	14	72.2 Å²	72.2	6%	0.061	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	166.3	173	73.2	-72.2	0	0	0	110.1	W371 F373 L383 V438 F450 A452	F354-W371 AromaticContact CD2-CD2 3.9Å; F354-W371 HydrophobicContact CD2-CD2 3.9Å; F354-W371 AromaticContact CD2-CE2 3.8Å; F354-W371 HydrophobicContact CD2-CE3 4.15Å; F354-W371 HydrophobicContact CD2-CG 4.39Å; F354-W371 HydrophobicContact CD2-CH2 4.21Å; F354-W371 AromaticContact CD2-CZ2 3.98Å; F354-W371 HydrophobicContact CD2-CZ2 3.98Å; F354-W371 HydrophobicContact CD2-CZ3 4.29Å; F354-W371 HydrophobicContact CE2-CD2 4.24Å; F354-W371 HydrophobicContact CE2-CE3 4.12Å; F354-W371 HydrophobicContact CE2-CZ3 4.32Å; F354-F373 HydrophobicContact CD1-CE1 4.37Å; F354-F373 AromaticContact CD1-CZ 3.65Å; F354-F373 HydrophobicContact CD1-CZ 3.65Å; F354-F373 HydrophobicContact CD2-CZ 4.33Å; F354-F373 HydrophobicContact CE1-CE2 4.06Å; F354-F373 AromaticContact CE1-CZ 3.59Å; F354-F373 HydrophobicContact CE1-CZ 3.59Å; F354-F373 HydrophobicContact CE2-CE2 4.42Å; F354-F373 HydrophobicContact CE2-CZ 4.27Å; F354-F373 HydrophobicContact CG-CZ 4.02Å; F354-F373 HydrophobicContact CZ-CE2 4Å; F354-F373 AromaticContact CZ-CZ 3.92Å; F354-F373 HydrophobicContact CZ-CZ 3.92Å; F354-L383 HydrophobicContact CE1-CD1 3.51Å; F354-L383 HydrophobicContact CZ-CD1 3.58Å; F354-V438 HydrophobicContact CE2-CG1 3.98Å; F354-V438 HydrophobicContact CZ-CG1 4.18Å; F354-F450 AromaticContact CD2-CE2 3.88Å; F354-F450 HydrophobicContact CD2-CE2 3.88Å; F354-F450 HydrophobicContact CD2-CZ 4.22Å; F354-F450 AromaticContact CE2-CE2 3.55Å; F354-F450 HydrophobicContact CE2-CE2 3.55Å; F354-F450 AromaticContact CE2-CZ 3.96Å; F354-F450 HydrophobicContact CE2-CZ 3.96Å; F354-F450 HydrophobicContact CZ-CE2 4.25Å; F354-A452 HydrophobicContact CD1-CB 4Å; F354-A452 HydrophobicContact CE1-CB 3.39Å; F354-A452 HydrophobicContact CE2-CB 4.22Å; F354-A452 HydrophobicContact CZ-CB 3.52Å; F354-A452 PolarHBondContact N-O 3.38Å; F354-A452 PolarHBondContact O-N 3.48Å
355	N	97	Very high	95.4	Very high	59 Å²	59	70 Å²	70	32%	0.316	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	165.6	-173.7	43.7	83.9	0	0	0	110.9	Y359 F450 R451	N355-Y359 HydrophobicContact CB-CD1 4.3Å; N355-Y359 HydrophobicContact CB-CG 4.07Å; N355-F450 VanDerWaalsContact CA-O 3.22Å; N355-F450 WeakPolarHBondContact CA-O 3.26Å; N355-F450 WeakPolarHBondContact CB-O 3.26Å; N355-R451 HydrophobicContact CB-CG 4.44Å
356	S	96.7	Very high	95.1	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	35%	0.348	C	S	.	.	S	Bend	trans	-60.7	151.5	164.4	52.9	0	0	0	0	110.6	N358 Y359 G449 F450	S356-N358 PolarHBondContact O-N 3.3Å; S356-Y359 WeakPolarHBondContact O-CB 3.34Å; S356-Y359 PolarHBondContact O-N 2.81Å; S356-G449 VanDerWaalsContact OG-CA 3.22Å; S356-G449 WeakPolarHBondContact OG-CA 3.49Å; S356-F450 PolarHBondContact N-O 2.64Å; S356-F450 VanDerWaalsContact N-O 3.08Å; S356-F450 PolarHBondContact OG-N 3.03Å; S356-F450 PolarHBondContact OG-O 3.16Å
357	P	96.3	Very high	94.9	Very high	14 Å²	14	61 Å²	61	9%	0.091	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	138.9	178.3	-24.9	34.2	0	0	0	112.6	A339 Y359 F363 Q367 F440	A339-P357 HydrophobicContact CB-CB 4.02Å; A339-P357 HydrophobicContact CB-CG 3.56Å; P357-Y359 PolarHBondContact O-N 2.73Å; P357-F363 WeakPolarHBondContact O-CB 3.4Å; P357-Q367 HydrophobicContact CG-CB 4.4Å; P357-F440 HydrophobicContact CG-CE1 4.33Å
358	N	93.2	Very high	94.9	Very high	91 Å²	91	61.8 Å²	61.8	49%	0.487	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	2.1	-179.9	-50.8	-45	0	0	0	117	S356 K361	S356-N358 PolarHBondContact O-N 3.3Å; N358-K361 CarbonylContact C-O 3.35Å; N358-K361 HydrophobicContact CB-CB 4.34Å; N358-K361 WeakPolarHBondContact O-CA 3.35Å; N358-K361 VanDerWaalsContact O-CB 3.25Å; N358-K361 WeakPolarHBondContact O-CB 3.3Å; N358-K361 PolarHBondContact O-N 2.89Å
359	Y	95	Very high	95	Very high	28 Å²	28	57.8 Å²	57.8	11%	0.11	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	135.3	178.6	-174.1	-85.6	0	0	0	111.4	N355 S356 P357 E387 L448 F450 R451	N355-Y359 HydrophobicContact CB-CD1 4.3Å; N355-Y359 HydrophobicContact CB-CG 4.07Å; S356-Y359 WeakPolarHBondContact O-CB 3.34Å; S356-Y359 PolarHBondContact O-N 2.81Å; P357-Y359 PolarHBondContact O-N 2.73Å; Y359-E387 WeakPolarHBondContact CE1-OE2 3.29Å; Y359-E387 WeakPolarHBondContact OH-CB 3.4Å; Y359-E387 PolarHBondContact OH-OE2 3.36Å; Y359-L448 WeakPolarHBondContact CD2-O 3.18Å; Y359-F450 WeakPolarHBondContact CD2-O 3.38Å; Y359-R451 HydrophobicContact CD1-CB 4.12Å; Y359-R451 HydrophobicContact CE1-CB 3.67Å; Y359-R451 HydrophobicContact CE1-CG 4.23Å; Y359-R451 HydrophobicContact CE2-CB 4.33Å
360	P	92.8	Very high	95.2	Very high	77 Å²	77	53.5 Å²	53.5	50%	0.5	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	cis	-86.9	9.6	10.9	36	-37.8	0	0	0	115.3
361	K	92.5	Very high	95.3	Very high	162 Å²	162	44.9 Å²	44.9	70%	0.704	23%	0.234	S	C	*	.	S	Bend	trans	-83.4	160.8	170.1	-56.2	178.8	-179.8	177.8	0	109.9	N358	N358-K361 CarbonylContact C-O 3.35Å; N358-K361 HydrophobicContact CB-CB 4.34Å; N358-K361 WeakPolarHBondContact O-CA 3.35Å; N358-K361 VanDerWaalsContact O-CB 3.25Å; N358-K361 WeakPolarHBondContact O-CB 3.3Å; N358-K361 PolarHBondContact O-N 2.89Å
362	A	92.3	Very high	95.3	Very high	49 Å²	49	42.2 Å²	42.2	41%	0.405	22%	0.224	S	C	.	.	P	Polyproline II helix	trans	-62.4	140.5	-178.6	0	0	0	0	0	112.6	G447	A362-G447 WeakPolarHBondContact CA-O 3.36Å; A362-G447 VanDerWaalsContact CB-O 3.3Å; A362-G447 WeakPolarHBondContact CB-O 3.23Å
363	F	93.9	Very high	95.3	Very high	2 Å²	2	40 Å²	40	1%	0.009	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-74.9	163.7	169.4	62.1	-95.5	0	0	0	110.5	P357 I391 F440 S442 R445 A446 G447	P357-F363 WeakPolarHBondContact O-CB 3.4Å; F363-I391 HydrophobicContact CE1-CD1 3.9Å; F363-I391 HydrophobicContact CZ-CD1 4.29Å; F363-F440 HydrophobicContact CB-CZ 4.28Å; F363-F440 HydrophobicContact CD1-CZ 4.04Å; F363-F440 HydrophobicContact CD2-CE1 4.43Å; F363-F440 AromaticContact CD2-CZ 3.64Å; F363-F440 HydrophobicContact CD2-CZ 3.64Å; F363-F440 HydrophobicContact CE1-CE2 4.44Å; F363-F440 HydrophobicContact CE1-CZ 4.27Å; F363-F440 HydrophobicContact CE2-CE2 4.47Å; F363-F440 AromaticContact CE2-CZ 3.89Å; F363-F440 HydrophobicContact CE2-CZ 3.89Å; F363-F440 HydrophobicContact CG-CE1 4.47Å; F363-F440 AromaticContact CG-CZ 3.72Å; F363-F440 HydrophobicContact CG-CZ 3.72Å; F363-F440 HydrophobicContact CZ-CE2 4.4Å; F363-F440 HydrophobicContact CZ-CZ 4.2Å; F363-S442 VanDerWaalsContact CE2-OG 3.28Å; F363-S442 WeakPolarHBondContact CE2-OG 3.18Å; F363-R445 WeakPolarHBondContact CE2-O 3.12Å; F363-A446 WeakPolarHBondContact O-CB 3.49Å; F363-G447 WeakPolarHBondContact CD1-O 3.49Å; F363-G447 VanDerWaalsContact CE1-C 3.44Å; F363-G447 WeakPolarHBondContact CE1-O 3.37Å; F363-G447 VanDerWaalsContact CZ-N 3.25Å; F363-G447 PolarHBondContact N-O 3.12Å; F363-G447 VanDerWaalsContact N-O 3.16Å
364	K	92	Very high	95.3	Very high	125 Å²	125	38.9 Å²	38.9	54%	0.543	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-95	148.2	176.6	-61.4	179.1	-176.3	174.3	0	110.6	Q367	K364-Q367 HydrophobicContact CB-CG 4.14Å; K364-Q367 WeakPolarHBondContact O-CG 3.13Å; K364-Q367 PolarHBondContact O-OE1 2.73Å
365	A	90.8	Very high	95.3	Very high	36 Å²	36	38.4 Å²	38.4	30%	0.298	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	140.9	171.2	0	0	0	0	0	111.1	S442	A365-S442 WeakPolarHBondContact CA-OG 3.44Å
366	G	90.7	Very high	95.3	Very high	26 Å²	26	38.2 Å²	38.2	27%	0.268	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	-1.9	-178.5	0	0	0	0	0	114.6	F337 S442	F337-G366 WeakPolarHBondContact CD1-O 3.35Å; G366-S442 CarbonylContact C-O 3.56Å; G366-S442 WeakPolarHBondContact CA-O 3.31Å; G366-S442 PolarHBondContact N-O 3.42Å
367	Q	95.2	Very high	95	Very high	7 Å²	7	44.1 Å²	44.1	3%	0.033	25%	0.247	C	C	.	.			trans	-79.7	138.6	-178.7	-67.8	-176.4	-46.7	0	0	112.2	F337 D338 A339 P357 K364 F440 S442	F337-Q367 WeakPolarHBondContact O-CA 3.36Å; D338-Q367 HydrophobicContact CB-CG 4.29Å; D338-Q367 PolarHBondContact O-NE2 3.19Å; A339-Q367 HydrophobicContact CB-CB 4.34Å; A339-Q367 HydrophobicContact CB-CG 4.25Å; P357-Q367 HydrophobicContact CG-CB 4.4Å; K364-Q367 HydrophobicContact CB-CG 4.14Å; K364-Q367 WeakPolarHBondContact O-CG 3.13Å; K364-Q367 PolarHBondContact O-OE1 2.73Å; Q367-F440 HydrophobicContact CB-CE1 4.19Å; Q367-S442 PolarHBondContact O-N 3.33Å; Q367-S442 VanDerWaalsContact O-N 3.07Å
368	E	96.5	Very high	94.5	Very high	21 Å²	21	46.3 Å²	46.3	10%	0.098	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.7	177.7	-54	177.5	-176.7	0	0	110.5	R8 G336 F337 F440	R8-E368 IonicContact NH1-OE2 2.88Å; R8-E368 PolarHBondContact NH1-OE2 3.49Å; G336-E368 CarbonylContact C-O 3.56Å; G336-E368 WeakPolarHBondContact CA-O 3.41Å; F337-E368 HydrophobicContact CB-CB 3.94Å; F337-E368 HydrophobicContact CB-CG 4.18Å; F337-E368 PolarHBondContact N-O 3.04Å; F337-E368 PolarHBondContact O-N 2.73Å; F337-E368 VanDerWaalsContact O-N 3.11Å; E368-F440 WeakPolarHBondContact CA-O 3.39Å
369	C	98.4	Very high	94.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	144	171.9	-50.7	0	0	0	0	110.1	C341 W371 L439 F440 R441	C341-C369 HydrophobicContact CB-CB 3.82Å; C341-C369 WeakPolarHBondContact CB-SG 3.44Å; C341-C369 WeakPolarHBondContact SG-CB 3.3Å; C341-C369 CovalentContact SG-SG 2.01Å; C341-C369 PolarHBondContact SG-SG 3.1Å; C369-W371 HydrophobicContact CB-CD2 4.4Å; C369-W371 HydrophobicContact CB-CE3 3.97Å; C369-W371 HydrophobicContact CB-CH2 3.14Å; C369-W371 HydrophobicContact CB-CZ2 3.63Å; C369-W371 HydrophobicContact CB-CZ3 3.34Å; C369-L439 WeakPolarHBondContact O-CA 3.37Å; C369-F440 HydrophobicContact CB-CB 4.12Å; C369-F440 HydrophobicContact CB-CD1 4.48Å; C369-F440 PolarHBondContact N-O 3.12Å; C369-F440 PolarHBondContact O-N 3.05Å; C369-R441 PolarHBondContact O-NH1 3.09Å
370	S	98.4	Very high	94.3	Very high	1 Å²	1	45 Å²	45	1%	0.007	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	113.5	175.7	-48.6	0	0	0	0	109.3	V333 G342 G343 R441	V333-S370 VanDerWaalsContact CG1-O 3.24Å; V333-S370 WeakPolarHBondContact CG1-O 3.12Å; G342-S370 CarbonylContact C-O 3.53Å; G342-S370 WeakPolarHBondContact CA-O 3.18Å; G343-S370 PolarHBondContact N-O 2.9Å; S370-R441 PolarHBondContact OG-NH2 3.21Å
371	W	98.6	Very high	94.5	Very high	15 Å²	15	41.4 Å²	41.4	6%	0.057	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	122.3	177.1	-62.7	-92.4	0	0	0	110.1	C341 G342 G343 F354 C369 F373 L437 V438 F440 F450	C341-W371 HydrophobicContact CB-CZ2 3.97Å; G342-W371 VanDerWaalsContact CA-CD1 3.46Å; G343-W371 WeakPolarHBondContact O-CA 3.38Å; F354-W371 AromaticContact CD2-CD2 3.9Å; F354-W371 HydrophobicContact CD2-CD2 3.9Å; F354-W371 AromaticContact CD2-CE2 3.8Å; F354-W371 HydrophobicContact CD2-CE3 4.15Å; F354-W371 HydrophobicContact CD2-CG 4.39Å; F354-W371 HydrophobicContact CD2-CH2 4.21Å; F354-W371 AromaticContact CD2-CZ2 3.98Å; F354-W371 HydrophobicContact CD2-CZ2 3.98Å; F354-W371 HydrophobicContact CD2-CZ3 4.29Å; F354-W371 HydrophobicContact CE2-CD2 4.24Å; F354-W371 HydrophobicContact CE2-CE3 4.12Å; F354-W371 HydrophobicContact CE2-CZ3 4.32Å; C369-W371 HydrophobicContact CB-CD2 4.4Å; C369-W371 HydrophobicContact CB-CE3 3.97Å; C369-W371 HydrophobicContact CB-CH2 3.14Å; C369-W371 HydrophobicContact CB-CZ2 3.63Å; C369-W371 HydrophobicContact CB-CZ3 3.34Å; W371-F373 HydrophobicContact CB-CD2 4.27Å; W371-F373 HydrophobicContact CB-CE2 3.64Å; W371-F373 HydrophobicContact CB-CZ 3.89Å; W371-F373 HydrophobicContact CG-CE2 4.38Å; W371-F373 HydrophobicContact CG-CZ 4.25Å; W371-L437 WeakPolarHBondContact O-CA 3.34Å; W371-L437 WeakPolarHBondContact O-CD1 3.38Å; W371-V438 HydrophobicContact CB-CB 4.46Å; W371-V438 HydrophobicContact CE3-CB 4.42Å; W371-V438 HydrophobicContact CE3-CG1 4.25Å; W371-V438 PolarHBondContact N-O 2.04Å; W371-V438 PolarHBondContact O-N 3.35Å; W371-F440 HydrophobicContact CH2-CB 4.13Å; W371-F440 HydrophobicContact CZ3-CB 3.72Å; W371-F450 HydrophobicContact CH2-CZ 4.06Å; W371-F450 HydrophobicContact CZ3-CZ 4.16Å
372	L	98.2	Very high	94.6	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	104.5	167.9	176	67.2	0	0	0	108.6	R307 F325 V333 G343 L344 V345 D435	R307-L372 VanDerWaalsContact NH1-CD2 3.27Å; F325-L372 HydrophobicContact CE1-CD1 4.27Å; F325-L372 HydrophobicContact CE1-CD2 4.27Å; F325-L372 HydrophobicContact CZ-CD1 4.31Å; V333-L372 HydrophobicContact CG1-CB 4.49Å; V333-L372 HydrophobicContact CG2-CB 3.56Å; V333-L372 HydrophobicContact CG2-CD2 3.8Å; V333-L372 HydrophobicContact CG2-CG 4.36Å; G343-L372 PolarHBondContact O-N 3.05Å; L344-L372 HydrophobicContact CD1-CB 4.4Å; L344-L372 HydrophobicContact CD1-CD2 3.74Å; L344-L372 HydrophobicContact CD1-CG 4Å; V345-L372 PolarHBondContact N-O 2.84Å; L372-D435 HydrophobicContact CD1-CB 4.21Å
373	F	98.5	Very high	94.8	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	131.4	171.9	-62.5	-78.3	0	0	0	109.8	V345 V347 F354 W371 V381 D435 M436 V438 A454	V345-F373 HydrophobicContact CB-CD1 3.65Å; V345-F373 HydrophobicContact CB-CE1 3.82Å; V345-F373 HydrophobicContact CG1-CD1 3.79Å; V345-F373 HydrophobicContact CG1-CE1 3.79Å; V345-F373 HydrophobicContact CG2-CD1 4.38Å; V345-F373 HydrophobicContact CG2-CE1 4.13Å; V345-F373 CarbonylContact O-C 3.38Å; V345-F373 VanDerWaalsContact O-CA 3.3Å; V345-F373 WeakPolarHBondContact O-CA 3.02Å; V347-F373 HydrophobicContact CG1-CB 4.48Å; V347-F373 HydrophobicContact CG1-CD1 3.7Å; F354-F373 HydrophobicContact CD1-CE1 4.37Å; F354-F373 AromaticContact CD1-CZ 3.65Å; F354-F373 HydrophobicContact CD1-CZ 3.65Å; F354-F373 HydrophobicContact CD2-CZ 4.33Å; F354-F373 HydrophobicContact CE1-CE2 4.06Å; F354-F373 AromaticContact CE1-CZ 3.59Å; F354-F373 HydrophobicContact CE1-CZ 3.59Å; F354-F373 HydrophobicContact CE2-CE2 4.42Å; F354-F373 HydrophobicContact CE2-CZ 4.27Å; F354-F373 HydrophobicContact CG-CZ 4.02Å; F354-F373 HydrophobicContact CZ-CE2 4Å; F354-F373 AromaticContact CZ-CZ 3.92Å; F354-F373 HydrophobicContact CZ-CZ 3.92Å; W371-F373 HydrophobicContact CB-CD2 4.27Å; W371-F373 HydrophobicContact CB-CE2 3.64Å; W371-F373 HydrophobicContact CB-CZ 3.89Å; W371-F373 HydrophobicContact CG-CE2 4.38Å; W371-F373 HydrophobicContact CG-CZ 4.25Å; F373-V381 HydrophobicContact CB-CG1 3.89Å; F373-V381 HydrophobicContact CB-CG2 4Å; F373-V381 HydrophobicContact CG-CG1 4.44Å; F373-D435 CarbonylContact O-C 3.55Å; F373-D435 VanDerWaalsContact O-CA 3.32Å; F373-D435 WeakPolarHBondContact O-CA 3.35Å; F373-M436 HydrophobicContact CB-CB 4.38Å; F373-M436 PolarHBondContact N-O 2.82Å; F373-M436 PolarHBondContact O-N 2.83Å; F373-V438 HydrophobicContact CD2-CG2 3.97Å; F373-V438 HydrophobicContact CE2-CB 4.1Å; F373-V438 HydrophobicContact CE2-CG2 3.72Å; F373-A454 HydrophobicContact CD1-CB 3.76Å; F373-A454 HydrophobicContact CE1-CB 3.73Å; F373-A454 HydrophobicContact CE2-CB 4.49Å; F373-A454 HydrophobicContact CG-CB 4.16Å; F373-A454 HydrophobicContact CZ-CB 4.12Å
374	K	97.5	Very high	94.8	Very high	87 Å²	87	33.5 Å²	33.5	38%	0.378	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	114	180	-176.4	160.2	-172.8	161.9	0	110.9	L344 V345 R346 V347	L344-K374 HydrophobicContact CD1-CB 3.98Å; L344-K374 HydrophobicContact CD1-CD 4.43Å; V345-K374 PolarHBondContact O-N 3.31Å; R346-K374 WeakPolarHBondContact CA-O 3.17Å; V347-K374 PolarHBondContact N-O 3.12Å
375	A	96.9	Very high	95	Very high	5 Å²	5	28.1 Å²	28.1	4%	0.041	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-82.4	157.4	173.2	0	0	0	0	0	111.4	V347 L379 V381 T434 A456	V347-A375 HydrophobicContact CG2-CB 4.25Å; A375-L379 HydrophobicContact CB-CB 4.16Å; A375-V381 HydrophobicContact CB-CG2 4.06Å; A375-T434 WeakPolarHBondContact CB-O 3.28Å; A375-T434 PolarHBondContact N-O 3.33Å; A375-A456 HydrophobicContact CB-CB 3.93Å
376	P	96.7	Very high	95.1	Very high	54 Å²	54	27.7 Å²	27.7	35%	0.351	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-58.8	156	168.4	-23.2	34	0	0	0	112.1	V347 G378 L379	V347-P376 WeakPolarHBondContact O-CD 3.46Å; P376-G378 PolarHBondContact O-N 2.95Å; P376-L379 HydrophobicContact CB-CD1 4.22Å; P376-L379 HydrophobicContact CG-CD1 4.08Å; P376-L379 PolarHBondContact O-N 3.18Å; P376-L379 VanDerWaalsContact O-N 3.11Å
377	P	91.2	Very high	95.1	Very high	124 Å²	124	31 Å²	31	81%	0.805	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.9	139.2	173.8	-25.5	34.7	0	0	0	112.3	L379	P377-L379 PolarHBondContact O-N 3.27Å
378	G	86	Confident	94.9	Very high	60 Å²	60	37.1 Å²	37.1	62%	0.619	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.4	-6	-177.9	0	0	0	0	0	115	P376 P459	P376-G378 PolarHBondContact O-N 2.95Å; G378-P459 WeakPolarHBondContact O-CD 3.47Å
379	L	91.6	Very high	94.7	Very high	55 Å²	55	36.5 Å²	36.5	29%	0.288	20%	0.196	S	C	.	.			trans	-110.4	166.9	174.4	-56.5	-176	0	0	0	111.3	A375 P376 P377 A456 V457 P458	A375-L379 HydrophobicContact CB-CB 4.16Å; P376-L379 HydrophobicContact CB-CD1 4.22Å; P376-L379 HydrophobicContact CG-CD1 4.08Å; P376-L379 PolarHBondContact O-N 3.18Å; P376-L379 VanDerWaalsContact O-N 3.11Å; P377-L379 PolarHBondContact O-N 3.27Å; L379-A456 HydrophobicContact CB-CB 4.23Å; L379-A456 HydrophobicContact CD1-CB 3.86Å; L379-V457 WeakPolarHBondContact CA-O 3.24Å; L379-P458 HydrophobicContact CD2-CB 4.38Å; L379-P458 HydrophobicContact CD2-CG 4.22Å
380	R	92	Very high	94.4	Very high	38 Å²	38	38 Å²	38	14%	0.143	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	161.5	173.7	68.3	-168.3	-61.6	-162.9	2.5	110.7	S431 A456 V457 G491	R380-S431 PolarHBondContact NE-O 2.03Å; R380-S431 PolarHBondContact NH2-O 2.83Å; R380-A456 CarbonylContact O-C 3.53Å; R380-A456 WeakPolarHBondContact O-CA 3.41Å; R380-V457 HydrophobicContact CG-CG2 3.77Å; R380-V457 PolarHBondContact N-O 3.47Å; R380-V457 PolarHBondContact O-N 3.13Å; R380-G491 PolarHBondContact NH1-O 3.18Å
381	V	96.2	Very high	94.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	129.6	176.4	-176.8	0	0	0	0	109.4	V347 F373 A375 Y430 S431 T434 M436 A454 R455	V347-V381 HydrophobicContact CG2-CG2 4.09Å; F373-V381 HydrophobicContact CB-CG1 3.89Å; F373-V381 HydrophobicContact CB-CG2 4Å; F373-V381 HydrophobicContact CG-CG1 4.44Å; A375-V381 HydrophobicContact CB-CG2 4.06Å; V381-Y430 VanDerWaalsContact O-CA 3.32Å; V381-Y430 WeakPolarHBondContact O-CA 3.12Å; V381-S431 PolarHBondContact N-OG 3.32Å; V381-S431 PolarHBondContact O-N 2.93Å; V381-T434 WeakPolarHBondContact CG2-O 3.43Å; V381-M436 HydrophobicContact CB-CB 3.93Å; V381-M436 HydrophobicContact CB-CE 4.09Å; V381-M436 HydrophobicContact CG1-CB 4.03Å; V381-M436 HydrophobicContact CG1-CE 4.06Å; V381-M436 HydrophobicContact CG1-SD 4.06Å; V381-M436 HydrophobicContact CG2-CB 4.12Å; V381-M436 WeakPolarHBondContact O-CE 3.14Å; V381-A454 HydrophobicContact CG1-CB 4.27Å; V381-R455 WeakPolarHBondContact CA-O 3.48Å
382	E	94.9	Very high	93.9	Very high	5 Å²	5	40.1 Å²	40.1	2%	0.023	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	129.9	164.7	180	-178.5	-129.2	0	0	108.5	W351 K428 Y430 A454 R455 V457	W351-E382 HydrophobicContact CH2-CG 4.08Å; W351-E382 WeakPolarHBondContact CH2-OE2 3.06Å; E382-K428 HydrophobicContact CG-CB 4.45Å; E382-K428 HydrophobicContact CG-CD 4.07Å; E382-K428 WeakPolarHBondContact OE1-CD 3.44Å; E382-K428 IonicContact OE1-NZ 3.18Å; E382-K428 PolarHBondContact OE1-NZ 2.89Å; E382-Y430 HydrophobicContact CB-CD1 3.92Å; E382-Y430 HydrophobicContact CB-CE1 3.75Å; E382-Y430 HydrophobicContact CG-CD1 4.04Å; E382-Y430 HydrophobicContact CG-CE1 3.47Å; E382-Y430 VanDerWaalsContact CG-CE1 3.47Å; E382-Y430 WeakPolarHBondContact OE1-CE1 3.5Å; E382-Y430 PolarHBondContact OE1-OH 2.91Å; E382-A454 CarbonylContact O-C 3.03Å; E382-A454 WeakPolarHBondContact O-CA 3.35Å; E382-R455 HydrophobicContact CB-CG 4.32Å; E382-R455 PolarHBondContact N-O 3.44Å; E382-R455 PolarHBondContact O-N 2.77Å; E382-R455 IonicContact OE1-NH2 3.92Å; E382-R455 IonicContact OE2-CZ 3.49Å; E382-R455 IonicContact OE2-NE 3.05Å; E382-R455 PolarHBondContact OE2-NE 3.3Å; E382-R455 IonicContact OE2-NH2 3.22Å; E382-R455 PolarHBondContact OE2-NH2 2.83Å; E382-V457 HydrophobicContact CB-CG1 3.95Å; E382-V457 HydrophobicContact CB-CG2 3.92Å
383	L	96.7	Very high	93.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.2	178.7	172.8	70	0	0	0	110.4	F354 F385 V406 K428 I429 M436 V438 A452 A454	F354-L383 HydrophobicContact CE1-CD1 3.51Å; F354-L383 HydrophobicContact CZ-CD1 3.58Å; L383-F385 HydrophobicContact CD2-CE2 4.1Å; L383-F385 HydrophobicContact CD2-CZ 4.38Å; L383-F385 HydrophobicContact CG-CE2 4.49Å; L383-V406 HydrophobicContact CD2-CG1 3.91Å; L383-V406 HydrophobicContact CD2-CG2 3.76Å; L383-K428 WeakPolarHBondContact O-CA 3.21Å; L383-I429 HydrophobicContact CB-CB 4.35Å; L383-I429 HydrophobicContact CD2-CD1 4.23Å; L383-I429 PolarHBondContact N-O 2.77Å; L383-I429 PolarHBondContact O-N 3.22Å; L383-M436 HydrophobicContact CB-CE 4.12Å; L383-M436 HydrophobicContact CB-SD 3.7Å; L383-M436 HydrophobicContact CD2-SD 3.87Å; L383-M436 HydrophobicContact CG-SD 4.37Å; L383-V438 HydrophobicContact CD2-CG2 3.93Å; L383-A452 HydrophobicContact CD1-CB 4.24Å; L383-A454 HydrophobicContact CD1-CB 4.43Å
384	E	95.1	Very high	93	Very high	43 Å²	43	45.3 Å²	45.3	20%	0.201	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	129.9	177.9	-175	-176.1	176.1	0	0	110.7	W351 I386 K428 A452 R453	W351-E384 HydrophobicContact CH2-CB 4.36Å; E384-I386 HydrophobicContact CG-CG2 4.08Å; E384-K428 HydrophobicContact CB-CG 4.47Å; E384-K428 HydrophobicContact CG-CG 4.43Å; E384-A452 CarbonylContact O-C 3.6Å; E384-A452 WeakPolarHBondContact O-CA 3.29Å; E384-A452 WeakPolarHBondContact O-CB 3.48Å; E384-R453 HydrophobicContact CB-CG 4.13Å; E384-R453 PolarHBondContact N-O 3.36Å; E384-R453 PolarHBondContact O-N 3.34Å; E384-R453 IonicContact OE1-CZ 2.69Å; E384-R453 IonicContact OE1-NH2 3.87Å; E384-R453 PolarHBondContact OE1-NH2 2.74Å; E384-R453 IonicContact OE2-CZ 3.73Å; E384-R453 IonicContact OE2-NE 2.72Å; E384-R453 PolarHBondContact OE2-NE 3.47Å; E384-R453 IonicContact OE2-NH2 3.54Å; E384-R453 PolarHBondContact OE2-NH2 3.5Å
385	F	95.1	Very high	92.2	Very high	11 Å²	11	44.4 Å²	44.4	5%	0.048	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	136.4	168.9	-67.9	-88.5	0	0	0	109.4	L383 F389 I404 V406 L419 I424 P425 I429 F450 A452	L383-F385 HydrophobicContact CD2-CE2 4.1Å; L383-F385 HydrophobicContact CD2-CZ 4.38Å; L383-F385 HydrophobicContact CG-CE2 4.49Å; F385-F389 HydrophobicContact CB-CD2 4.48Å; F385-F389 AromaticContact CD1-CD2 3.86Å; F385-F389 HydrophobicContact CD1-CD2 3.86Å; F385-F389 AromaticContact CD1-CE2 3.75Å; F385-F389 HydrophobicContact CD1-CE2 3.75Å; F385-F389 HydrophobicContact CE1-CD2 4.46Å; F385-F389 AromaticContact CE1-CE2 3.92Å; F385-F389 HydrophobicContact CE1-CE2 3.92Å; F385-F389 HydrophobicContact CG-CD2 4.3Å; F385-F389 HydrophobicContact CG-CE2 4.28Å; F385-I404 HydrophobicContact CE1-CD1 3.92Å; F385-I404 HydrophobicContact CE1-CG2 4.14Å; F385-I404 HydrophobicContact CZ-CB 4.41Å; F385-I404 HydrophobicContact CZ-CG2 3.79Å; F385-V406 HydrophobicContact CE2-CG2 4.5Å; F385-V406 HydrophobicContact CZ-CG2 4.38Å; F385-L419 HydrophobicContact CD2-CD1 4.24Å; F385-L419 HydrophobicContact CE2-CD1 3.37Å; F385-L419 HydrophobicContact CZ-CD1 3.73Å; F385-I424 HydrophobicContact CB-CG2 3.91Å; F385-P425 HydrophobicContact CB-CG 4.39Å; F385-P425 HydrophobicContact CD2-CB 4.03Å; F385-P425 HydrophobicContact CD2-CG 3.66Å; F385-P425 HydrophobicContact CE2-CG 4.16Å; F385-P425 HydrophobicContact CG-CG 4.08Å; F385-I429 HydrophobicContact CE2-CD1 4.15Å; F385-F450 HydrophobicContact CD1-CB 4.35Å; F385-F450 AromaticContact CD1-CD2 3.9Å; F385-F450 HydrophobicContact CD1-CD2 3.9Å; F385-F450 HydrophobicContact CD1-CG 4.38Å; F385-F450 AromaticContact CE1-CD2 3.72Å; F385-F450 HydrophobicContact CE1-CD2 3.72Å; F385-F450 HydrophobicContact CE1-CE2 4.14Å; F385-F450 HydrophobicContact CE1-CG 4.24Å; F385-A452 HydrophobicContact CD1-CB 3.84Å; F385-A452 HydrophobicContact CE1-CB 4.12Å; F385-A452 HydrophobicContact CG-CB 4.36Å
386	I	93.6	Very high	91.3	Very high	28 Å²	28	50.3 Å²	50.3	14%	0.144	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	159.8	-173.9	63.3	174.4	0	0	0	110.3	Y353 E384 R451 R453	Y353-I386 HydrophobicContact CD1-CD1 3.8Å; Y353-I386 HydrophobicContact CE1-CD1 3.68Å; E384-I386 HydrophobicContact CG-CG2 4.08Å; I386-R451 HydrophobicContact CD1-CG 3.96Å; I386-R451 HydrophobicContact CG1-CB 3.96Å; I386-R451 HydrophobicContact CG1-CG 3.87Å; I386-R451 PolarHBondContact N-O 3.46Å; I386-R453 HydrophobicContact CG2-CG 4.2Å
387	E	90.5	Very high	90.4	Very high	95 Å²	95	50.4 Å²	50.4	44%	0.444	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	57.4	-138.7	177.8	-54.7	173.5	-165.9	0	0	112.9	Y359 I424 R451	Y359-E387 WeakPolarHBondContact CE1-OE2 3.29Å; Y359-E387 WeakPolarHBondContact OH-CB 3.4Å; Y359-E387 PolarHBondContact OH-OE2 3.36Å; E387-I424 WeakPolarHBondContact O-CD1 3.3Å; E387-I424 VanDerWaalsContact O-CG1 3.28Å; E387-I424 WeakPolarHBondContact O-CG1 3.35Å; E387-R451 VanDerWaalsContact CD-CD 3.48Å; E387-R451 VanDerWaalsContact OE1-CD 3.24Å; E387-R451 WeakPolarHBondContact OE1-CD 3.33Å; E387-R451 IonicContact OE1-CZ 3.48Å; E387-R451 IonicContact OE1-NE 3.6Å; E387-R451 IonicContact OE1-NH1 3.38Å; E387-R451 PolarHBondContact OE1-NH1 3.13Å; E387-R451 WeakPolarHBondContact OE2-CD 3.37Å; E387-R451 IonicContact OE2-NH1 2.85Å
388	R	89.8	Confident	90	Very high	135 Å²	135	44.6 Å²	44.6	51%	0.509	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	141.2	-175.7	-65.9	-176.3	-65.8	179.5	2.3	110.7
389	F	92.8	Very high	90.1	Very high	9 Å²	9	42.3 Å²	42.3	4%	0.039	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	118.8	176.8	-174	-79.5	0	0	0	108.3	F385 I391 I404 L419 C421 H422 I424 P425 G449 F450	F385-F389 HydrophobicContact CB-CD2 4.48Å; F385-F389 AromaticContact CD1-CD2 3.86Å; F385-F389 HydrophobicContact CD1-CD2 3.86Å; F385-F389 AromaticContact CD1-CE2 3.75Å; F385-F389 HydrophobicContact CD1-CE2 3.75Å; F385-F389 HydrophobicContact CE1-CD2 4.46Å; F385-F389 AromaticContact CE1-CE2 3.92Å; F385-F389 HydrophobicContact CE1-CE2 3.92Å; F385-F389 HydrophobicContact CG-CD2 4.3Å; F385-F389 HydrophobicContact CG-CE2 4.28Å; F389-I391 HydrophobicContact CD1-CG1 4.5Å; F389-I391 HydrophobicContact CE1-CB 4.32Å; F389-I391 HydrophobicContact CE1-CG1 3.92Å; F389-I391 HydrophobicContact CZ-CG1 3.93Å; F389-I404 HydrophobicContact CD2-CD1 4.39Å; F389-I404 HydrophobicContact CE2-CD1 3.36Å; F389-I404 HydrophobicContact CZ-CD1 3.58Å; F389-L419 HydrophobicContact CZ-CB 3.94Å; F389-C421 VanDerWaalsContact CD1-O 3.25Å; F389-C421 WeakPolarHBondContact CD1-O 3.43Å; F389-C421 WeakPolarHBondContact CE1-O 3.35Å; F389-H422 CarbonylContact O-C 3.5Å; F389-H422 VanDerWaalsContact O-CA 3.29Å; F389-H422 WeakPolarHBondContact O-CA 3.38Å; F389-H422 VanDerWaalsContact O-O 3.1Å; F389-I424 HydrophobicContact CB-CB 4.27Å; F389-I424 HydrophobicContact CB-CG1 3.69Å; F389-P425 HydrophobicContact CE2-CG 4.3Å; F389-G449 CarbonylContact C-O 3.37Å; F389-G449 WeakPolarHBondContact CA-O 3.5Å; F389-F450 HydrophobicContact CD2-CB 3.85Å; F389-F450 HydrophobicContact CE2-CB 4.22Å
390	D	93	Very high	90.1	Very high	32 Å²	32	39.9 Å²	39.9	17%	0.171	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	107.5	-179.9	174.5	33.8	0	0	0	110.3	C421 H422 L448 G449	D390-C421 WeakPolarHBondContact CA-O 3.33Å; D390-H422 IonicContact OD1-CD2 3.82Å; D390-H422 PolarHBondContact OD1-CD2 3.49Å; D390-H422 IonicContact OD1-NE2 2.7Å; D390-H422 PolarHBondContact OD1-NE2 3.14Å; D390-L448 HydrophobicContact CB-CB 3.91Å; D390-L448 HydrophobicContact CB-CG 4.42Å; D390-L448 PolarHBondContact OD2-N 3.04Å; D390-G449 PolarHBondContact N-O 3.38Å; D390-G449 WeakPolarHBondContact O-CA 3.39Å; D390-G449 PolarHBondContact O-N 3.05Å
391	I	94.1	Very high	90	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-137.2	134	-177.8	-55.4	-69.3	0	0	0	108.1	F363 F389 C393 D402 I404 C420 C421 F440 F450	F363-I391 HydrophobicContact CE1-CD1 3.9Å; F363-I391 HydrophobicContact CZ-CD1 4.29Å; F389-I391 HydrophobicContact CD1-CG1 4.5Å; F389-I391 HydrophobicContact CE1-CB 4.32Å; F389-I391 HydrophobicContact CE1-CG1 3.92Å; F389-I391 HydrophobicContact CZ-CG1 3.93Å; I391-C393 PolarHBondContact O-N 3.18Å; I391-D402 HydrophobicContact CG2-CB 3.73Å; I391-D402 WeakPolarHBondContact CG2-O 3.42Å; I391-I404 HydrophobicContact CD1-CD1 4Å; I391-I404 HydrophobicContact CG1-CD1 3.8Å; I391-C420 HydrophobicContact CB-CB 4.12Å; I391-C420 HydrophobicContact CG2-CB 3.9Å; I391-C421 PolarHBondContact N-O 2.56Å; I391-C421 VanDerWaalsContact N-O 3.13Å; I391-C421 WeakPolarHBondContact O-CA 3.48Å; I391-C421 PolarHBondContact O-N 3.22Å; I391-F440 HydrophobicContact CD1-CE2 3.94Å; I391-F450 HydrophobicContact CD1-CD1 4.25Å
392	Y	91.8	Very high	89.9	Confident	59 Å²	59	38.5 Å²	38.5	23%	0.231	19%	0.187	C	C	.	.			trans	-63.6	131.4	-171.5	179.3	-123.2	0	0	0	113.7	M401 D402 Y444 R445	Y392-M401 HydrophobicContact CD1-CB 3.42Å; Y392-M401 VanDerWaalsContact CD1-CB 3.42Å; Y392-M401 HydrophobicContact CD1-CG 3.94Å; Y392-M401 HydrophobicContact CE1-CB 3.6Å; Y392-M401 HydrophobicContact CE1-CG 3.65Å; Y392-M401 HydrophobicContact CG-CB 4.36Å; Y392-M401 PolarHBondContact O-N 3.44Å; Y392-D402 WeakPolarHBondContact CB-OD2 3.46Å; Y392-D402 PolarHBondContact O-N 3.31Å; Y392-Y444 HydrophobicContact CD1-CG 4.49Å; Y392-Y444 HydrophobicContact CE1-CG 4.34Å; Y392-R445 HydrophobicContact CD1-CB 4.12Å; Y392-R445 HydrophobicContact CD1-CG 4.07Å; Y392-R445 HydrophobicContact CE1-CG 4.16Å; Y392-R445 HydrophobicContact CG-CB 4.04Å; Y392-R445 HydrophobicContact CG-CG 4.27Å
393	C	91.1	Very high	89.9	Confident	21 Å²	21	38.3 Å²	38.3	14%	0.142	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.7	-178.8	78.3	0	0	0	0	112.1	I391 L399 C420 C421	I391-C393 PolarHBondContact O-N 3.18Å; C393-L399 CarbonylContact C-O 3.49Å; C393-L399 WeakPolarHBondContact CA-O 3.4Å; C393-L399 WeakPolarHBondContact CB-O 3.49Å; C393-C420 HydrophobicContact CB-CB 3.99Å; C393-C420 WeakPolarHBondContact CB-SG 3.5Å; C393-C421 HydrophobicContact CB-CB 4.11Å; C393-C421 WeakPolarHBondContact CB-SG 3.42Å; C393-C421 WeakPolarHBondContact SG-CA 3.23Å; C393-C421 WeakPolarHBondContact SG-CB 3.39Å; C393-C421 CovalentContact SG-SG 2.03Å; C393-C421 PolarHBondContact SG-SG 3.01Å
394	K	87.2	Confident	89.9	Confident	89 Å²	89	38.3 Å²	38.3	39%	0.387	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	98.2	166	-73.5	-177.4	-178.1	-175.9	0	108.5	E396 S398 L399 M401	K394-E396 VanDerWaalsContact C-N 3.35Å; K394-E396 PolarHBondContact O-N 2.82Å; K394-S398 PolarHBondContact O-N 3.24Å; K394-S398 VanDerWaalsContact O-N 3.15Å; K394-L399 PolarHBondContact N-O 3.02Å; K394-L399 PolarHBondContact O-N 3.17Å; K394-M401 HydrophobicContact CB-SD 4.41Å; K394-M401 HydrophobicContact CD-CG 4.33Å; K394-M401 HydrophobicContact CD-SD 3.56Å; K394-M401 VanDerWaalsContact CD-SD 3.56Å; K394-M401 VanDerWaalsContact CE-SD 3.59Å; K394-M401 HydrophobicContact CG-CG 3.8Å; K394-M401 HydrophobicContact CG-SD 3.69Å
395	A	79.8	Confident	90	Very high	69 Å²	69	36.4 Å²	36.4	57%	0.57	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-42.5	-174.9	0	0	0	0	0	112.5	H397 S398	A395-H397 PolarHBondContact O-N 3.07Å; A395-S398 PolarHBondContact O-N 2.63Å
396	E	78.4	Confident	90.1	Very high	128 Å²	128	35.9 Å²	35.9	60%	0.598	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-52	-180	-177.3	175	-169.1	0	0	112.6	K255 K394 S398	K255-E396 WeakPolarHBondContact CE-O 3.33Å; K255-E396 PolarHBondContact NZ-O 3.17Å; K394-E396 VanDerWaalsContact C-N 3.35Å; K394-E396 PolarHBondContact O-N 2.82Å; E396-S398 VanDerWaalsContact C-N 3.29Å; E396-S398 PolarHBondContact O-N 3.12Å
397	H	76.7	Confident	90.2	Very high	57 Å²	57	35.1 Å²	35.1	26%	0.264	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	1.7	178.6	-54.7	-64.2	0	0	0	114.1	A395 L399	A395-H397 PolarHBondContact O-N 3.07Å; H397-L399 VanDerWaalsContact C-N 3.33Å; H397-L399 HydrophobicContact CB-CD1 4.15Å; H397-L399 HydrophobicContact CB-CG 4.23Å; H397-L399 PolarHBondContact O-N 2.88Å
398	S	83.7	Confident	90.2	Very high	1 Å²	1	32 Å²	32	1%	0.007	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	45.4	-173.8	-173.6	0	0	0	0	113.4	Y264 R275 K394 A395 E396	Y264-S398 PolarHBondContact OH-OG 3.18Å; R275-S398 WeakPolarHBondContact CA-O 3.48Å; K394-S398 PolarHBondContact O-N 3.24Å; K394-S398 VanDerWaalsContact O-N 3.15Å; A395-S398 PolarHBondContact O-N 2.63Å; E396-S398 VanDerWaalsContact C-N 3.29Å; E396-S398 PolarHBondContact O-N 3.12Å
399	L	87.6	Confident	90	Very high	12 Å²	12	27.7 Å²	27.7	6%	0.063	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143.2	-178	-73.7	177.9	0	0	0	113.4	I277 C393 K394 H397	I277-L399 WeakPolarHBondContact O-CD2 3.37Å; C393-L399 CarbonylContact C-O 3.49Å; C393-L399 WeakPolarHBondContact CA-O 3.4Å; C393-L399 WeakPolarHBondContact CB-O 3.49Å; K394-L399 PolarHBondContact N-O 3.02Å; K394-L399 PolarHBondContact O-N 3.17Å; H397-L399 VanDerWaalsContact C-N 3.33Å; H397-L399 HydrophobicContact CB-CD1 4.15Å; H397-L399 HydrophobicContact CB-CG 4.23Å; H397-L399 PolarHBondContact O-N 2.88Å
400	C	92.2	Very high	89.3	Confident	4 Å²	4	31.5 Å²	31.5	3%	0.027	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.7	169.9	-60.8	0	0	0	0	110.8	R275 D402 R418 C420	R275-C400 VanDerWaalsContact CB-SG 3.58Å; C400-D402 WeakPolarHBondContact CB-O 3.18Å; C400-R418 HydrophobicContact CB-CB 4.32Å; C400-R418 PolarHBondContact SG-O 3.1Å; C400-C420 WeakPolarHBondContact CA-SG 3.43Å; C400-C420 HydrophobicContact CB-CB 3.57Å; C400-C420 WeakPolarHBondContact CB-SG 3.5Å; C400-C420 WeakPolarHBondContact SG-CB 3.23Å; C400-C420 CovalentContact SG-SG 2.02Å; C400-C420 PolarHBondContact SG-SG 2.62Å
401	M	89.9	Confident	88.9	Confident	9 Å²	9	31.8 Å²	31.8	4%	0.044	18%	0.176	C	C	.	.	S	Bend	trans	-94.6	-46.7	176.7	-59	-55.1	-49.5	0	0	110	Y392 K394 Y444	Y392-M401 HydrophobicContact CD1-CB 3.42Å; Y392-M401 VanDerWaalsContact CD1-CB 3.42Å; Y392-M401 HydrophobicContact CD1-CG 3.94Å; Y392-M401 HydrophobicContact CE1-CB 3.6Å; Y392-M401 HydrophobicContact CE1-CG 3.65Å; Y392-M401 HydrophobicContact CG-CB 4.36Å; Y392-M401 PolarHBondContact O-N 3.44Å; K394-M401 HydrophobicContact CB-SD 4.41Å; K394-M401 HydrophobicContact CD-CG 4.33Å; K394-M401 HydrophobicContact CD-SD 3.56Å; K394-M401 VanDerWaalsContact CD-SD 3.56Å; K394-M401 VanDerWaalsContact CE-SD 3.59Å; K394-M401 HydrophobicContact CG-CG 3.8Å; K394-M401 HydrophobicContact CG-SD 3.69Å; M401-Y444 HydrophobicContact CB-CD2 3.69Å; M401-Y444 HydrophobicContact CB-CE2 4.09Å; M401-Y444 HydrophobicContact CB-CG 4.26Å; M401-Y444 HydrophobicContact CE-CD1 4.34Å; M401-Y444 HydrophobicContact CE-CD2 3.9Å; M401-Y444 HydrophobicContact CE-CE1 3.79Å; M401-Y444 HydrophobicContact CE-CE2 3.29Å; M401-Y444 HydrophobicContact CE-CG 4.38Å; M401-Y444 WeakPolarHBondContact CE-OH 3.35Å; M401-Y444 WeakPolarHBondContact O-CD2 3.23Å
402	D	93.4	Very high	88.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.178	C	C	.	.	S	Bend	trans	-103	152	158.7	-59.1	-29.6	0	0	0	107.1	I391 Y392 C400 C420 R441 S442 F443 Y444 R445	I391-D402 HydrophobicContact CG2-CB 3.73Å; I391-D402 WeakPolarHBondContact CG2-O 3.42Å; Y392-D402 WeakPolarHBondContact CB-OD2 3.46Å; Y392-D402 PolarHBondContact O-N 3.31Å; C400-D402 WeakPolarHBondContact CB-O 3.18Å; D402-C420 WeakPolarHBondContact O-CB 3.36Å; D402-R441 WeakPolarHBondContact CA-O 3.42Å; D402-S442 WeakPolarHBondContact OD1-CA 3.43Å; D402-F443 PolarHBondContact OD1-N 2.93Å; D402-Y444 PolarHBondContact OD1-N 2.77Å; D402-R445 PolarHBondContact OD2-N 3.49Å
403	Y	95.1	Very high	88.8	Confident	2 Å²	2	29.4 Å²	29.4	1%	0.008	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	156.3	-175.8	53.5	-97	0	0	0	113.9	E405 R418 R441 F443	Y403-E405 HydrophobicContact CD2-CB 3.8Å; Y403-E405 HydrophobicContact CE2-CB 3.92Å; Y403-R418 HydrophobicContact CD2-CG 4.13Å; Y403-R418 HydrophobicContact CG-CB 4.48Å; Y403-R418 HydrophobicContact CG-CG 4.14Å; Y403-R418 PolarHBondContact OH-NH2 2.92Å; Y403-R441 HydrophobicContact CD2-CB 4.23Å; Y403-R441 HydrophobicContact CD2-CG 4.39Å; Y403-R441 HydrophobicContact CE1-CB 4.23Å; Y403-R441 HydrophobicContact CE2-CB 3.76Å; Y403-R441 HydrophobicContact CE2-CG 3.6Å; Y403-R441 PolarHBondContact N-O 3.17Å; Y403-R441 PolarHBondContact O-N 3.12Å; Y403-F443 HydrophobicContact CE1-CD2 4.38Å; Y403-F443 AromaticContact CE1-CE2 3.79Å; Y403-F443 HydrophobicContact CE1-CE2 3.79Å
404	I	96.7	Very high	88.9	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	119.8	154.5	-58	129	0	0	0	107.4	F385 F389 I391 V406 R418 L419 V438 L439 F440 F450	F385-I404 HydrophobicContact CE1-CD1 3.92Å; F385-I404 HydrophobicContact CE1-CG2 4.14Å; F385-I404 HydrophobicContact CZ-CB 4.41Å; F385-I404 HydrophobicContact CZ-CG2 3.79Å; F389-I404 HydrophobicContact CD2-CD1 4.39Å; F389-I404 HydrophobicContact CE2-CD1 3.36Å; F389-I404 HydrophobicContact CZ-CD1 3.58Å; I391-I404 HydrophobicContact CD1-CD1 4Å; I391-I404 HydrophobicContact CG1-CD1 3.8Å; I404-V406 HydrophobicContact CG2-CG2 4.24Å; I404-R418 WeakPolarHBondContact O-CA 3.49Å; I404-L419 PolarHBondContact N-O 3.1Å; I404-L419 PolarHBondContact O-N 2.75Å; I404-V438 HydrophobicContact CG2-CG1 3.63Å; I404-L439 CarbonylContact C-O 3.51Å; I404-L439 WeakPolarHBondContact CA-O 3.05Å; I404-F440 HydrophobicContact CG1-CD2 4.16Å; I404-F450 HydrophobicContact CD1-CB 4.1Å; I404-F450 HydrophobicContact CD1-CD1 3.4Å; I404-F450 HydrophobicContact CD1-CD2 4.37Å; I404-F450 HydrophobicContact CD1-CE1 3.85Å; I404-F450 HydrophobicContact CD1-CG 3.69Å; I404-F450 HydrophobicContact CG1-CD1 3.75Å; I404-F450 HydrophobicContact CG1-CE1 3.64Å; I404-F450 HydrophobicContact CG1-CG 4.37Å; I404-F450 HydrophobicContact CG1-CZ 4.18Å
405	E	97.1	Very high	89.3	Confident	2 Å²	2	25.9 Å²	25.9	1%	0.009	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	117.8	175.2	-170.6	176.2	131.4	0	0	109.7	Y403 R407 G416 M417 R418 V438 L439	Y403-E405 HydrophobicContact CD2-CB 3.8Å; Y403-E405 HydrophobicContact CE2-CB 3.92Å; E405-R407 IonicContact OE1-CZ 2.74Å; E405-R407 VanDerWaalsContact OE1-CZ 3.25Å; E405-R407 IonicContact OE1-NE 3.56Å; E405-R407 PolarHBondContact OE1-NE 2.74Å; E405-R407 IonicContact OE1-NH2 2.89Å; E405-R407 PolarHBondContact OE1-NH2 3.13Å; E405-G416 PolarHBondContact OE1-N 3.19Å; E405-M417 CarbonylContact C-O 3.19Å; E405-M417 VanDerWaalsContact CA-O 3.27Å; E405-M417 WeakPolarHBondContact CA-O 3.45Å; E405-R418 HydrophobicContact CB-CG 4.34Å; E405-R418 HydrophobicContact CG-CG 4.21Å; E405-R418 IonicContact OE2-CZ 2.74Å; E405-R418 IonicContact OE2-NE 3.59Å; E405-R418 PolarHBondContact OE2-NE 2.91Å; E405-R418 IonicContact OE2-NH2 3.24Å; E405-V438 CarbonylContact O-C 3.58Å; E405-V438 WeakPolarHBondContact O-CA 3.41Å; E405-L439 HydrophobicContact CB-CB 4.17Å; E405-L439 HydrophobicContact CB-CD1 4.49Å; E405-L439 PolarHBondContact N-O 2.86Å; E405-L439 PolarHBondContact O-N 2.72Å
406	V	97.5	Very high	90	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	115.2	175.8	-174.7	0	0	0	0	109.2	L383 F385 I404 N408 G416 M417 L419 I429 M436 V438	L383-V406 HydrophobicContact CD2-CG1 3.91Å; L383-V406 HydrophobicContact CD2-CG2 3.76Å; F385-V406 HydrophobicContact CE2-CG2 4.5Å; F385-V406 HydrophobicContact CZ-CG2 4.38Å; I404-V406 HydrophobicContact CG2-CG2 4.24Å; V406-N408 HydrophobicContact CG1-CB 4.45Å; V406-G416 VanDerWaalsContact O-CA 3.28Å; V406-G416 WeakPolarHBondContact O-CA 3.07Å; V406-M417 HydrophobicContact CB-CG 3.7Å; V406-M417 HydrophobicContact CB-SD 4.16Å; V406-M417 HydrophobicContact CG2-CG 4.37Å; V406-M417 PolarHBondContact N-O 3.13Å; V406-M417 PolarHBondContact O-N 2.86Å; V406-L419 HydrophobicContact CG2-CD1 4.06Å; V406-I429 HydrophobicContact CB-CD1 4.48Å; V406-I429 HydrophobicContact CG1-CD1 4.46Å; V406-I429 HydrophobicContact CG1-CG2 3.94Å; V406-I429 HydrophobicContact CG2-CD1 4.2Å; V406-M436 HydrophobicContact CG1-CG 4.11Å; V406-M436 HydrophobicContact CG1-SD 3.85Å; V406-V438 HydrophobicContact CG1-CG2 4.33Å; V406-V438 HydrophobicContact CG2-CG1 4.42Å; V406-V438 HydrophobicContact CG2-CG2 4.36Å
407	R	95.1	Very high	90.7	Very high	13 Å²	13	16.8 Å²	16.8	5%	0.049	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	103.5	171.5	-61.7	-173.6	-173.2	157.6	11.8	108.8	D323 E405 F412 N414 L437	D323-R407 PolarHBondContact O-NH1 3.1Å; E405-R407 IonicContact OE1-CZ 2.74Å; E405-R407 VanDerWaalsContact OE1-CZ 3.25Å; E405-R407 IonicContact OE1-NE 3.56Å; E405-R407 PolarHBondContact OE1-NE 2.74Å; E405-R407 IonicContact OE1-NH2 2.89Å; E405-R407 PolarHBondContact OE1-NH2 3.13Å; R407-F412 HydrophobicContact CB-CD1 3.92Å; R407-F412 HydrophobicContact CB-CE1 4.43Å; R407-F412 WeakPolarHBondContact CD-O 3.45Å; R407-F412 PolarHBondContact NH1-O 2.73Å; R407-N414 VanDerWaalsContact CD-O 3.31Å; R407-N414 WeakPolarHBondContact CD-O 3.33Å; R407-N414 PolarHBondContact NE-O 3.19Å; R407-L437 HydrophobicContact CB-CB 4.21Å; R407-L437 PolarHBondContact N-O 2.58Å; R407-L437 PolarHBondContact O-N 3.3Å
408	N	90.8	Very high	91.6	Very high	30 Å²	30	14.3 Å²	14.3	16%	0.16	9%	0.086	C	C	.	.			trans	-110.3	4.6	-177.2	74.1	-40.9	0	0	0	112.9	V406 I429 Y430 S431 S432 M436	V406-N408 HydrophobicContact CG1-CB 4.45Å; N408-I429 HydrophobicContact CB-CG2 4.11Å; N408-Y430 PolarHBondContact ND2-O 3.06Å; N408-S431 CarbonylContact O-C 3.24Å; N408-S432 WeakPolarHBondContact O-CB 3.23Å; N408-S432 PolarHBondContact O-N 3.15Å; N408-S432 PolarHBondContact O-OG 2.8Å; N408-M436 HydrophobicContact CB-CE 4.22Å
409	S	85.2	Confident	92.1	Very high	43 Å²	43	14.9 Å²	14.9	30%	0.301	9%	0.088	S	C	.	.	S	Bend	trans	-82.5	172.6	176.9	-174.9	0	0	0	0	112.3	D411	S409-D411 VanDerWaalsContact C-N 3.34Å; S409-D411 PolarHBondContact OG-N 3.07Å
410	S	79.2	Confident	92.4	Very high	89 Å²	89	14.7 Å²	14.7	62%	0.622	9%	0.088	S	C	*	.	S	Bend	trans	-72.6	-25.8	169.2	53.1	0	0	0	0	113.3
411	D	84.5	Confident	92.4	Very high	38 Å²	38	15 Å²	15	20%	0.203	9%	0.09	C	C	.	.			trans	-101.7	110.2	175.7	-166.7	-5.2	0	0	0	110.7	R289 S409 A413	R289-D411 IonicContact NH1-OD2 3.57Å; S409-D411 VanDerWaalsContact C-N 3.34Å; S409-D411 PolarHBondContact OG-N 3.07Å; D411-A413 VanDerWaalsContact C-N 3.27Å; D411-A413 WeakPolarHBondContact OD1-CB 2.78Å; D411-A413 PolarHBondContact OD1-N 2.91Å
412	F	91.8	Very high	92.3	Very high	10 Å²	10	21.3 Å²	21.3	4%	0.044	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.3	176.1	-62.8	-72.8	0	0	0	113.5	R307 P322 F325 R407 N414 D435 L437	R307-F412 HydrophobicContact CB-CD2 4.13Å; P322-F412 WeakPolarHBondContact CB-O 3.41Å; F325-F412 HydrophobicContact CE2-CB 3.72Å; F325-F412 HydrophobicContact CE2-CD1 4.42Å; F325-F412 HydrophobicContact CE2-CD2 4.32Å; F325-F412 AromaticContact CE2-CG 3.92Å; F325-F412 HydrophobicContact CE2-CG 3.92Å; F325-F412 HydrophobicContact CZ-CB 4.48Å; F325-F412 HydrophobicContact CZ-CD1 4.45Å; F325-F412 HydrophobicContact CZ-CD2 4.39Å; F325-F412 HydrophobicContact CZ-CG 4.21Å; R407-F412 HydrophobicContact CB-CD1 3.92Å; R407-F412 HydrophobicContact CB-CE1 4.43Å; R407-F412 WeakPolarHBondContact CD-O 3.45Å; R407-F412 PolarHBondContact NH1-O 2.73Å; F412-N414 VanDerWaalsContact C-N 3.3Å; F412-D435 HydrophobicContact CE2-CB 4.21Å; F412-D435 HydrophobicContact CZ-CB 3.72Å; F412-L437 HydrophobicContact CD1-CB 3.75Å; F412-L437 HydrophobicContact CD1-CD2 4.35Å; F412-L437 HydrophobicContact CE1-CB 3.71Å
413	A	92.8	Very high	91.7	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.008	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-30.1	171.8	0	0	0	0	0	112.1	F285 N286 P322 D411	F285-A413 HydrophobicContact CD1-CB 3.66Å; F285-A413 HydrophobicContact CE1-CB 3.75Å; N286-A413 WeakPolarHBondContact OD1-CB 3.22Å; P322-A413 HydrophobicContact CG-CB 4.27Å; D411-A413 VanDerWaalsContact C-N 3.27Å; D411-A413 WeakPolarHBondContact OD1-CB 2.78Å; D411-A413 PolarHBondContact OD1-N 2.91Å
414	N	92.1	Very high	91	Very high	25 Å²	25	31.1 Å²	31.1	13%	0.134	17%	0.171	C	C	.	.	S	Bend	trans	-71.7	141.5	178.1	-79.3	50.2	0	0	0	111.9	P243 Y244 N286 R407 F412 G416	P243-N414 VanDerWaalsContact CG-ND2 3.28Å; P243-N414 WeakPolarHBondContact CG-ND2 3.27Å; P243-N414 WeakPolarHBondContact CG-OD1 3.31Å; Y244-N414 PolarHBondContact O-ND2 3.18Å; Y244-N414 VanDerWaalsContact O-ND2 3.08Å; N286-N414 PolarHBondContact ND2-OD1 3.13Å; R407-N414 VanDerWaalsContact CD-O 3.31Å; R407-N414 WeakPolarHBondContact CD-O 3.33Å; R407-N414 PolarHBondContact NE-O 3.19Å; F412-N414 VanDerWaalsContact C-N 3.3Å; N414-G416 PolarHBondContact O-N 2.8Å
415	T	95.8	Very high	90.2	Very high	10 Å²	10	32 Å²	32	6%	0.061	18%	0.177	C	C	.	.			trans	-62.5	135.1	172.8	-47.2	0	0	0	0	109.7	D245 G247 Y273 T276	D245-T415 WeakPolarHBondContact OD1-CB 3.04Å; D245-T415 PolarHBondContact OD1-N 2.69Å; D245-T415 VanDerWaalsContact OD1-N 3.12Å; D245-T415 PolarHBondContact OD1-OG1 3.36Å; D245-T415 PolarHBondContact OD2-OG1 3.21Å; G247-T415 WeakPolarHBondContact CA-OG1 3.35Å; Y273-T415 WeakPolarHBondContact CE1-O 3.44Å; T276-T415 HydrophobicContact CG2-CG2 3.64Å
416	G	94.5	Very high	89.2	Confident	1 Å²	1	44 Å²	44	1%	0.01	22%	0.222	C	C	.	.			trans	-81.6	-176.1	178.3	0	0	0	0	0	113.8	Y273 T276 E405 V406 N414 R418	Y273-G416 WeakPolarHBondContact CE1-O 3.44Å; T276-G416 WeakPolarHBondContact CG2-O 3.37Å; T276-G416 PolarHBondContact OG1-O 3Å; T276-G416 VanDerWaalsContact OG1-O 3.04Å; E405-G416 PolarHBondContact OE1-N 3.19Å; V406-G416 VanDerWaalsContact O-CA 3.28Å; V406-G416 WeakPolarHBondContact O-CA 3.07Å; N414-G416 PolarHBondContact O-N 2.8Å; G416-R418 PolarHBondContact O-N 3.45Å
417	M	93.5	Very high	88.4	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.025	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	125.4	170.7	63.3	-169.3	78.9	0	0	109.4	N272 Y273 E405 V406 L419 I429	N272-M417 HydrophobicContact CB-CB 3.87Å; N272-M417 HydrophobicContact CB-CG 4.27Å; N272-M417 HydrophobicContact CB-SD 3.69Å; N272-M417 WeakPolarHBondContact O-CB 3.48Å; Y273-M417 HydrophobicContact CD1-CB 4.39Å; Y273-M417 HydrophobicContact CD2-CB 4.12Å; Y273-M417 HydrophobicContact CE1-CB 4.36Å; Y273-M417 HydrophobicContact CE2-CB 4.08Å; Y273-M417 HydrophobicContact CE2-CE 4.22Å; Y273-M417 HydrophobicContact CG-CB 4.3Å; E405-M417 CarbonylContact C-O 3.19Å; E405-M417 VanDerWaalsContact CA-O 3.27Å; E405-M417 WeakPolarHBondContact CA-O 3.45Å; V406-M417 HydrophobicContact CB-CG 3.7Å; V406-M417 HydrophobicContact CB-SD 4.16Å; V406-M417 HydrophobicContact CG2-CG 4.37Å; V406-M417 PolarHBondContact N-O 3.13Å; V406-M417 PolarHBondContact O-N 2.86Å; M417-L419 HydrophobicContact CG-CD2 4.4Å; M417-L419 HydrophobicContact CG-CG 4.4Å; M417-I429 HydrophobicContact CE-CG2 3.82Å; M417-I429 HydrophobicContact SD-CD1 3.47Å; M417-I429 WeakPolarHBondContact SD-CD1 3.04Å; M417-I429 HydrophobicContact SD-CG1 3.88Å; M417-I429 HydrophobicContact SD-CG2 4.14Å
418	R	95.1	Very high	88.2	Confident	6 Å²	6	52.4 Å²	52.4	2%	0.023	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	116.8	177.5	-70.2	-177.6	175.2	-175.8	-6.4	109.8	T276 C400 Y403 I404 E405 G416	T276-R418 HydrophobicContact CG2-CG 4.31Å; T276-R418 PolarHBondContact OG1-N 2.86Å; C400-R418 HydrophobicContact CB-CB 4.32Å; C400-R418 PolarHBondContact SG-O 3.1Å; Y403-R418 HydrophobicContact CD2-CG 4.13Å; Y403-R418 HydrophobicContact CG-CB 4.48Å; Y403-R418 HydrophobicContact CG-CG 4.14Å; Y403-R418 PolarHBondContact OH-NH2 2.92Å; I404-R418 WeakPolarHBondContact O-CA 3.49Å; E405-R418 HydrophobicContact CB-CG 4.34Å; E405-R418 HydrophobicContact CG-CG 4.21Å; E405-R418 IonicContact OE2-CZ 2.74Å; E405-R418 IonicContact OE2-NE 3.59Å; E405-R418 PolarHBondContact OE2-NE 2.91Å; E405-R418 IonicContact OE2-NH2 3.24Å; G416-R418 PolarHBondContact O-N 3.45Å
419	L	94.6	Very high	88.3	Confident	12 Å²	12	51.3 Å²	51.3	6%	0.063	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	128.6	-176.8	-52.2	172.5	0	0	0	108.9	N272 F385 F389 I404 V406 M417 P425 I429	N272-L419 HydrophobicContact CB-CD2 4.17Å; F385-L419 HydrophobicContact CD2-CD1 4.24Å; F385-L419 HydrophobicContact CE2-CD1 3.37Å; F385-L419 HydrophobicContact CZ-CD1 3.73Å; F389-L419 HydrophobicContact CZ-CB 3.94Å; I404-L419 PolarHBondContact N-O 3.1Å; I404-L419 PolarHBondContact O-N 2.75Å; V406-L419 HydrophobicContact CG2-CD1 4.06Å; M417-L419 HydrophobicContact CG-CD2 4.4Å; M417-L419 HydrophobicContact CG-CG 4.4Å; L419-P425 HydrophobicContact CB-CG 4.41Å; L419-P425 HydrophobicContact CD1-CG 3.86Å; L419-P425 HydrophobicContact CD2-CG 4.29Å; L419-P425 HydrophobicContact CG-CG 4.41Å; L419-I429 HydrophobicContact CD1-CD1 4.03Å
420	C	93.5	Very high	88.6	Confident	8 Å²	8	50.6 Å²	50.6	5%	0.054	25%	0.246	C	C	.	.			trans	-160.2	-172.9	-179.7	64.3	0	0	0	0	111.6	I391 C393 C400 D402	I391-C420 HydrophobicContact CB-CB 4.12Å; I391-C420 HydrophobicContact CG2-CB 3.9Å; C393-C420 HydrophobicContact CB-CB 3.99Å; C393-C420 WeakPolarHBondContact CB-SG 3.5Å; C400-C420 WeakPolarHBondContact CA-SG 3.43Å; C400-C420 HydrophobicContact CB-CB 3.57Å; C400-C420 WeakPolarHBondContact CB-SG 3.5Å; C400-C420 WeakPolarHBondContact SG-CB 3.23Å; C400-C420 CovalentContact SG-SG 2.02Å; C400-C420 PolarHBondContact SG-SG 2.62Å; D402-C420 WeakPolarHBondContact O-CB 3.36Å
421	C	91.4	Very high	89.2	Confident	11 Å²	11	46.4 Å²	46.4	7%	0.074	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	70.9	-156.8	-170.1	-46.8	0	0	0	0	112.6	R275 F389 D390 I391 C393	R275-C421 PolarHBondContact NH1-SG 2.86Å; R275-C421 VanDerWaalsContact NH1-SG 3.35Å; F389-C421 VanDerWaalsContact CD1-O 3.25Å; F389-C421 WeakPolarHBondContact CD1-O 3.43Å; F389-C421 WeakPolarHBondContact CE1-O 3.35Å; D390-C421 WeakPolarHBondContact CA-O 3.33Å; I391-C421 PolarHBondContact N-O 2.56Å; I391-C421 VanDerWaalsContact N-O 3.13Å; I391-C421 WeakPolarHBondContact O-CA 3.48Å; I391-C421 PolarHBondContact O-N 3.22Å; C393-C421 HydrophobicContact CB-CB 4.11Å; C393-C421 WeakPolarHBondContact CB-SG 3.42Å; C393-C421 WeakPolarHBondContact SG-CA 3.23Å; C393-C421 WeakPolarHBondContact SG-CB 3.39Å; C393-C421 CovalentContact SG-SG 2.03Å; C393-C421 PolarHBondContact SG-SG 3.01Å
422	H	87.9	Confident	89.3	Confident	141 Å²	141	48.6 Å²	48.6	65%	0.653	24%	0.235	S	C	*	.	S	Bend	trans	-99.4	-11.8	-171.6	-49.8	103.9	0	0	0	114.4	F389 D390	F389-H422 CarbonylContact O-C 3.5Å; F389-H422 VanDerWaalsContact O-CA 3.29Å; F389-H422 WeakPolarHBondContact O-CA 3.38Å; F389-H422 VanDerWaalsContact O-O 3.1Å; D390-H422 IonicContact OD1-CD2 3.82Å; D390-H422 PolarHBondContact OD1-CD2 3.49Å; D390-H422 IonicContact OD1-NE2 2.7Å; D390-H422 PolarHBondContact OD1-NE2 3.14Å
423	N	80.7	Confident	89.1	Confident	136 Å²	136	50.3 Å²	50.3	73%	0.727	25%	0.246	S	C	*	.	S	Bend	trans	-87.8	119.7	-176.2	-71.2	-27.9	0	0	0	109.9
424	I	81.4	Confident	89	Confident	72 Å²	72	52.4 Å²	52.4	37%	0.369	26%	0.259	S	S	.	.			trans	-59.5	131.4	171.7	-52.8	152.2	0	0	0	108.3	F385 E387 F389 R426	F385-I424 HydrophobicContact CB-CG2 3.91Å; E387-I424 WeakPolarHBondContact O-CD1 3.3Å; E387-I424 VanDerWaalsContact O-CG1 3.28Å; E387-I424 WeakPolarHBondContact O-CG1 3.35Å; F389-I424 HydrophobicContact CB-CB 4.27Å; F389-I424 HydrophobicContact CB-CG1 3.69Å; I424-R426 PolarHBondContact O-N 3.28Å; I424-R426 VanDerWaalsContact O-N 3.08Å
425	P	80	Confident	89.1	Confident	20 Å²	20	52 Å²	52	13%	0.13	26%	0.256	C	S	.	.			trans	-54.4	115.5	170.2	-24.6	33.2	0	0	0	110.5	F385 F389 L419 Q427	F385-P425 HydrophobicContact CB-CG 4.39Å; F385-P425 HydrophobicContact CD2-CB 4.03Å; F385-P425 HydrophobicContact CD2-CG 3.66Å; F385-P425 HydrophobicContact CE2-CG 4.16Å; F385-P425 HydrophobicContact CG-CG 4.08Å; F389-P425 HydrophobicContact CE2-CG 4.3Å; L419-P425 HydrophobicContact CB-CG 4.41Å; L419-P425 HydrophobicContact CD1-CG 3.86Å; L419-P425 HydrophobicContact CD2-CG 4.29Å; L419-P425 HydrophobicContact CG-CG 4.41Å; P425-Q427 VanDerWaalsContact C-N 3.33Å; P425-Q427 PolarHBondContact O-N 2.9Å
426	R	75.6	Confident	89.2	Confident	252 Å²	252	51.5 Å²	51.5	95%	0.951	25%	0.253	S	S	*	.			trans	-71.8	-27	-173.9	-68.4	-174.8	177.6	176.2	-1	113.7	I424	I424-R426 PolarHBondContact O-N 3.28Å; I424-R426 VanDerWaalsContact O-N 3.08Å
427	Q	81.9	Confident	89.4	Confident	109 Å²	109	51.4 Å²	51.4	51%	0.509	25%	0.253	S	S	.	.	S	Bend	trans	-101.4	141.8	-174.1	-64.1	177.1	18.8	0	0	110.5	P425	P425-Q427 VanDerWaalsContact C-N 3.33Å; P425-Q427 PolarHBondContact O-N 2.9Å
428	K	90.1	Very high	89.6	Confident	81 Å²	81	51.2 Å²	51.2	35%	0.352	25%	0.252	S	S	.	.			trans	-68.2	145.7	169.9	-58.8	-174.2	-175.3	172.7	0	110.1	E382 L383 E384 Y430	E382-K428 HydrophobicContact CG-CB 4.45Å; E382-K428 HydrophobicContact CG-CD 4.07Å; E382-K428 WeakPolarHBondContact OE1-CD 3.44Å; E382-K428 IonicContact OE1-NZ 3.18Å; E382-K428 PolarHBondContact OE1-NZ 2.89Å; L383-K428 WeakPolarHBondContact O-CA 3.21Å; E384-K428 HydrophobicContact CB-CG 4.47Å; E384-K428 HydrophobicContact CG-CG 4.43Å; K428-Y430 HydrophobicContact CB-CE2 3.85Å; K428-Y430 WeakPolarHBondContact CD-OH 3.22Å
429	I	92.2	Very high	89.7	Confident	7 Å²	7	50.9 Å²	50.9	4%	0.036	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.8	179.8	-59.4	159	0	0	0	108.4	L383 F385 V406 N408 M417 L419 M436	L383-I429 HydrophobicContact CB-CB 4.35Å; L383-I429 HydrophobicContact CD2-CD1 4.23Å; L383-I429 PolarHBondContact N-O 2.77Å; L383-I429 PolarHBondContact O-N 3.22Å; F385-I429 HydrophobicContact CE2-CD1 4.15Å; V406-I429 HydrophobicContact CB-CD1 4.48Å; V406-I429 HydrophobicContact CG1-CD1 4.46Å; V406-I429 HydrophobicContact CG1-CG2 3.94Å; V406-I429 HydrophobicContact CG2-CD1 4.2Å; N408-I429 HydrophobicContact CB-CG2 4.11Å; M417-I429 HydrophobicContact CE-CG2 3.82Å; M417-I429 HydrophobicContact SD-CD1 3.47Å; M417-I429 WeakPolarHBondContact SD-CD1 3.04Å; M417-I429 HydrophobicContact SD-CG1 3.88Å; M417-I429 HydrophobicContact SD-CG2 4.14Å; L419-I429 HydrophobicContact CD1-CD1 4.03Å; I429-M436 HydrophobicContact CG2-CE 4.11Å
430	Y	91.6	Very high	89.9	Confident	29 Å²	29	50.3 Å²	50.3	11%	0.114	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.5	-179.5	-59.7	-90.5	0	0	0	111	V381 E382 N408 K428 V457 Q490	V381-Y430 VanDerWaalsContact O-CA 3.32Å; V381-Y430 WeakPolarHBondContact O-CA 3.12Å; E382-Y430 HydrophobicContact CB-CD1 3.92Å; E382-Y430 HydrophobicContact CB-CE1 3.75Å; E382-Y430 HydrophobicContact CG-CD1 4.04Å; E382-Y430 HydrophobicContact CG-CE1 3.47Å; E382-Y430 VanDerWaalsContact CG-CE1 3.47Å; E382-Y430 WeakPolarHBondContact OE1-CE1 3.5Å; E382-Y430 PolarHBondContact OE1-OH 2.91Å; N408-Y430 PolarHBondContact ND2-O 3.06Å; K428-Y430 HydrophobicContact CB-CE2 3.85Å; K428-Y430 WeakPolarHBondContact CD-OH 3.22Å; Y430-V457 HydrophobicContact CD1-CG2 4.13Å; Y430-V457 HydrophobicContact CE1-CG2 4.13Å; Y430-Q490 VanDerWaalsContact CE2-O 3.32Å; Y430-Q490 WeakPolarHBondContact CE2-O 3.14Å; Y430-Q490 PolarHBondContact OH-O 3.03Å
431	S	92.8	Very high	90	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.246	C	C	.	.			trans	-76.9	143	174.7	59.6	0	0	0	0	112.1	R380 V381 N408 T433 D435 M436	R380-S431 PolarHBondContact NE-O 2.03Å; R380-S431 PolarHBondContact NH2-O 2.83Å; V381-S431 PolarHBondContact N-OG 3.32Å; V381-S431 PolarHBondContact O-N 2.93Å; N408-S431 CarbonylContact O-C 3.24Å; S431-T433 WeakPolarHBondContact CB-O 3.23Å; S431-T433 PolarHBondContact OG-O 3.46Å; S431-D435 VanDerWaalsContact CB-O 3.31Å; S431-D435 WeakPolarHBondContact CB-O 3.45Å; S431-M436 VanDerWaalsContact N-CE 3.32Å
432	S	85.5	Confident	90.1	Very high	84 Å²	84	49.6 Å²	49.6	59%	0.587	24%	0.242	S	C	*	.	S	Bend	trans	-74.7	-17.2	172.4	-59.1	0	0	0	0	112.4	N408	N408-S432 WeakPolarHBondContact O-CB 3.23Å; N408-S432 PolarHBondContact O-N 3.15Å; N408-S432 PolarHBondContact O-OG 2.8Å
433	T	87.3	Confident	90.1	Very high	47 Å²	47	46.8 Å²	46.8	29%	0.288	23%	0.228	S	C	.	.	S	Bend	trans	-126	-171.8	178	73.2	0	0	0	0	110.8	S431 D435	S431-T433 WeakPolarHBondContact CB-O 3.23Å; S431-T433 PolarHBondContact OG-O 3.46Å; T433-D435 PolarHBondContact O-N 2.96Å; T433-D435 PolarHBondContact OG1-N 3.14Å; T433-D435 VanDerWaalsContact OG1-N 3.16Å; T433-D435 PolarHBondContact OG1-O 3.3Å
434	T	92.1	Very high	90.2	Very high	45 Å²	45	45.7 Å²	45.7	28%	0.276	22%	0.215	S	C	.	.	S	Bend	trans	-66.8	-16.2	171.8	56.2	0	0	0	0	113.3	A375 V381	A375-T434 WeakPolarHBondContact CB-O 3.28Å; A375-T434 PolarHBondContact N-O 3.33Å; V381-T434 WeakPolarHBondContact CG2-O 3.43Å
435	D	94.1	Very high	90.2	Very high	15 Å²	15	49.4 Å²	49.4	8%	0.08	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	143.4	-170.7	-71.4	25.1	0	0	0	110.6	R307 L372 F373 F412 S431 T433	R307-D435 IonicContact NH1-OD2 3.21Å; R307-D435 PolarHBondContact NH1-OD2 2.93Å; L372-D435 HydrophobicContact CD1-CB 4.21Å; F373-D435 CarbonylContact O-C 3.55Å; F373-D435 VanDerWaalsContact O-CA 3.32Å; F373-D435 WeakPolarHBondContact O-CA 3.35Å; F412-D435 HydrophobicContact CE2-CB 4.21Å; F412-D435 HydrophobicContact CZ-CB 3.72Å; S431-D435 VanDerWaalsContact CB-O 3.31Å; S431-D435 WeakPolarHBondContact CB-O 3.45Å; T433-D435 PolarHBondContact O-N 2.96Å; T433-D435 PolarHBondContact OG1-N 3.14Å; T433-D435 VanDerWaalsContact OG1-N 3.16Å; T433-D435 PolarHBondContact OG1-O 3.3Å
436	M	97.1	Very high	90.2	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.3	170.4	-172.9	-176.8	-74	0	0	109.4	F373 V381 L383 V406 N408 I429 S431 V438	F373-M436 HydrophobicContact CB-CB 4.38Å; F373-M436 PolarHBondContact N-O 2.82Å; F373-M436 PolarHBondContact O-N 2.83Å; V381-M436 HydrophobicContact CB-CB 3.93Å; V381-M436 HydrophobicContact CB-CE 4.09Å; V381-M436 HydrophobicContact CG1-CB 4.03Å; V381-M436 HydrophobicContact CG1-CE 4.06Å; V381-M436 HydrophobicContact CG1-SD 4.06Å; V381-M436 HydrophobicContact CG2-CB 4.12Å; V381-M436 WeakPolarHBondContact O-CE 3.14Å; L383-M436 HydrophobicContact CB-CE 4.12Å; L383-M436 HydrophobicContact CB-SD 3.7Å; L383-M436 HydrophobicContact CD2-SD 3.87Å; L383-M436 HydrophobicContact CG-SD 4.37Å; V406-M436 HydrophobicContact CG1-CG 4.11Å; V406-M436 HydrophobicContact CG1-SD 3.85Å; N408-M436 HydrophobicContact CB-CE 4.22Å; I429-M436 HydrophobicContact CG2-CE 4.11Å; S431-M436 VanDerWaalsContact N-CE 3.32Å; M436-V438 HydrophobicContact CG-CG2 4.38Å; M436-V438 HydrophobicContact SD-CG2 4.3Å
437	L	98.1	Very high	90.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.7	174.8	176.1	68.6	0	0	0	109.1	D323 F325 W371 R407 F412 L439	D323-L437 WeakPolarHBondContact O-CD2 3.46Å; F325-L437 HydrophobicContact CD2-CD2 4.33Å; F325-L437 HydrophobicContact CE1-CD1 4.2Å; F325-L437 HydrophobicContact CE2-CD2 3.5Å; F325-L437 HydrophobicContact CZ-CB 4.26Å; F325-L437 HydrophobicContact CZ-CD1 3.93Å; F325-L437 HydrophobicContact CZ-CD2 3.61Å; F325-L437 HydrophobicContact CZ-CG 4.14Å; W371-L437 WeakPolarHBondContact O-CA 3.34Å; W371-L437 WeakPolarHBondContact O-CD1 3.38Å; R407-L437 HydrophobicContact CB-CB 4.21Å; R407-L437 PolarHBondContact N-O 2.58Å; R407-L437 PolarHBondContact O-N 3.3Å; F412-L437 HydrophobicContact CD1-CB 3.75Å; F412-L437 HydrophobicContact CD1-CD2 4.35Å; F412-L437 HydrophobicContact CE1-CB 3.71Å; L437-L439 HydrophobicContact CD1-CD2 3.64Å; L437-L439 HydrophobicContact CD2-CD1 4.39Å; L437-L439 HydrophobicContact CD2-CD2 3.86Å; L437-L439 HydrophobicContact CD2-CG 4.25Å; L437-L439 HydrophobicContact CG-CD2 3.67Å; L437-L439 HydrophobicContact CG-CG 4.13Å
438	V	98.5	Very high	91	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	123.6	173.7	-178.1	0	0	0	0	108.1	F354 W371 F373 L383 I404 E405 V406 M436	F354-V438 HydrophobicContact CE2-CG1 3.98Å; F354-V438 HydrophobicContact CZ-CG1 4.18Å; W371-V438 HydrophobicContact CB-CB 4.46Å; W371-V438 HydrophobicContact CE3-CB 4.42Å; W371-V438 HydrophobicContact CE3-CG1 4.25Å; W371-V438 PolarHBondContact N-O 2.04Å; W371-V438 PolarHBondContact O-N 3.35Å; F373-V438 HydrophobicContact CD2-CG2 3.97Å; F373-V438 HydrophobicContact CE2-CB 4.1Å; F373-V438 HydrophobicContact CE2-CG2 3.72Å; L383-V438 HydrophobicContact CD2-CG2 3.93Å; I404-V438 HydrophobicContact CG2-CG1 3.63Å; E405-V438 CarbonylContact O-C 3.58Å; E405-V438 WeakPolarHBondContact O-CA 3.41Å; V406-V438 HydrophobicContact CG1-CG2 4.33Å; V406-V438 HydrophobicContact CG2-CG1 4.42Å; V406-V438 HydrophobicContact CG2-CG2 4.36Å; M436-V438 HydrophobicContact CG-CG2 4.38Å; M436-V438 HydrophobicContact SD-CG2 4.3Å
439	L	98.3	Very high	91.2	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	137	178.5	-50.1	179.6	0	0	0	109	D323 C369 I404 E405 L437	D323-L439 HydrophobicContact CB-CD1 4.21Å; C369-L439 WeakPolarHBondContact O-CA 3.37Å; I404-L439 CarbonylContact C-O 3.51Å; I404-L439 WeakPolarHBondContact CA-O 3.05Å; E405-L439 HydrophobicContact CB-CB 4.17Å; E405-L439 HydrophobicContact CB-CD1 4.49Å; E405-L439 PolarHBondContact N-O 2.86Å; E405-L439 PolarHBondContact O-N 2.72Å; L437-L439 HydrophobicContact CD1-CD2 3.64Å; L437-L439 HydrophobicContact CD2-CD1 4.39Å; L437-L439 HydrophobicContact CD2-CD2 3.86Å; L437-L439 HydrophobicContact CD2-CG 4.25Å; L437-L439 HydrophobicContact CG-CD2 3.67Å; L437-L439 HydrophobicContact CG-CG 4.13Å
440	F	97.8	Very high	91.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.7	165	169.4	-109.5	0	0	0	108.3	P357 F363 Q367 E368 C369 W371 I391 I404 F450	P357-F440 HydrophobicContact CG-CE1 4.33Å; F363-F440 HydrophobicContact CB-CZ 4.28Å; F363-F440 HydrophobicContact CD1-CZ 4.04Å; F363-F440 HydrophobicContact CD2-CE1 4.43Å; F363-F440 AromaticContact CD2-CZ 3.64Å; F363-F440 HydrophobicContact CD2-CZ 3.64Å; F363-F440 HydrophobicContact CE1-CE2 4.44Å; F363-F440 HydrophobicContact CE1-CZ 4.27Å; F363-F440 HydrophobicContact CE2-CE2 4.47Å; F363-F440 AromaticContact CE2-CZ 3.89Å; F363-F440 HydrophobicContact CE2-CZ 3.89Å; F363-F440 HydrophobicContact CG-CE1 4.47Å; F363-F440 AromaticContact CG-CZ 3.72Å; F363-F440 HydrophobicContact CG-CZ 3.72Å; F363-F440 HydrophobicContact CZ-CE2 4.4Å; F363-F440 HydrophobicContact CZ-CZ 4.2Å; Q367-F440 HydrophobicContact CB-CE1 4.19Å; E368-F440 WeakPolarHBondContact CA-O 3.39Å; C369-F440 HydrophobicContact CB-CB 4.12Å; C369-F440 HydrophobicContact CB-CD1 4.48Å; C369-F440 PolarHBondContact N-O 3.12Å; C369-F440 PolarHBondContact O-N 3.05Å; W371-F440 HydrophobicContact CH2-CB 4.13Å; W371-F440 HydrophobicContact CZ3-CB 3.72Å; I391-F440 HydrophobicContact CD1-CE2 3.94Å; I404-F440 HydrophobicContact CG1-CD2 4.16Å; F440-F450 HydrophobicContact CB-CE1 4.31Å; F440-F450 HydrophobicContact CD2-CD1 4.49Å; F440-F450 AromaticContact CD2-CE1 3.89Å; F440-F450 HydrophobicContact CD2-CE1 3.89Å; F440-F450 HydrophobicContact CG-CE1 4.19Å
441	R	95.8	Very high	91.7	Very high	3 Å²	3	36.2 Å²	36.2	1%	0.011	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	116.8	178.7	-59.5	-67.5	175.6	-98.5	6.2	108.7	D323 C369 S370 D402 Y403 F443	D323-R441 VanDerWaalsContact CG-NH2 3.35Å; D323-R441 IonicContact OD1-CZ 3.87Å; D323-R441 IonicContact OD1-NE 3.49Å; D323-R441 IonicContact OD1-NH2 2.66Å; D323-R441 PolarHBondContact OD1-NH2 3.31Å; D323-R441 IonicContact OD2-CZ 2.84Å; D323-R441 IonicContact OD2-NE 3.56Å; D323-R441 PolarHBondContact OD2-NE 3.32Å; D323-R441 IonicContact OD2-NH2 3.79Å; D323-R441 PolarHBondContact OD2-NH2 2.98Å; C369-R441 PolarHBondContact O-NH1 3.09Å; S370-R441 PolarHBondContact OG-NH2 3.21Å; D402-R441 WeakPolarHBondContact CA-O 3.42Å; Y403-R441 HydrophobicContact CD2-CB 4.23Å; Y403-R441 HydrophobicContact CD2-CG 4.39Å; Y403-R441 HydrophobicContact CE1-CB 4.23Å; Y403-R441 HydrophobicContact CE2-CB 3.76Å; Y403-R441 HydrophobicContact CE2-CG 3.6Å; Y403-R441 PolarHBondContact N-O 3.17Å; Y403-R441 PolarHBondContact O-N 3.12Å; R441-F443 HydrophobicContact CB-CD2 4.43Å; R441-F443 HydrophobicContact CB-CE1 4.4Å; R441-F443 HydrophobicContact CB-CE2 3.73Å; R441-F443 HydrophobicContact CB-CZ 3.72Å; R441-F443 HydrophobicContact CG-CE2 4.44Å; R441-F443 HydrophobicContact CG-CZ 4.12Å
442	S	94	Very high	91.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.185	C	C	.	.			trans	-113	112.3	170.5	172.7	0	0	0	0	109.4	F363 A365 G366 Q367 D402 R445	F363-S442 VanDerWaalsContact CE2-OG 3.28Å; F363-S442 WeakPolarHBondContact CE2-OG 3.18Å; A365-S442 WeakPolarHBondContact CA-OG 3.44Å; G366-S442 CarbonylContact C-O 3.56Å; G366-S442 WeakPolarHBondContact CA-O 3.31Å; G366-S442 PolarHBondContact N-O 3.42Å; Q367-S442 PolarHBondContact O-N 3.33Å; Q367-S442 VanDerWaalsContact O-N 3.07Å; D402-S442 WeakPolarHBondContact OD1-CA 3.43Å; S442-R445 PolarHBondContact OG-O 3.15Å
443	F	87.2	Confident	92.5	Very high	83 Å²	83	35 Å²	35	36%	0.364	17%	0.167	S	C	.	.	S	Bend	trans	-105.8	-30.1	179.4	-58.9	-57.4	0	0	0	112.3	D402 Y403 R441	D402-F443 PolarHBondContact OD1-N 2.93Å; Y403-F443 HydrophobicContact CE1-CD2 4.38Å; Y403-F443 AromaticContact CE1-CE2 3.79Å; Y403-F443 HydrophobicContact CE1-CE2 3.79Å; R441-F443 HydrophobicContact CB-CD2 4.43Å; R441-F443 HydrophobicContact CB-CE1 4.4Å; R441-F443 HydrophobicContact CB-CE2 3.73Å; R441-F443 HydrophobicContact CB-CZ 3.72Å; R441-F443 HydrophobicContact CG-CE2 4.44Å; R441-F443 HydrophobicContact CG-CZ 4.12Å
444	Y	82.6	Confident	93	Very high	112 Å²	112	32.7 Å²	32.7	44%	0.439	15%	0.154	S	C	.	.	S	Bend	trans	-113	-58.9	-163.7	-68.4	-87.7	0	0	0	114.3	D281 Y392 M401 D402	D281-Y444 PolarHBondContact OD1-OH 2.88Å; Y392-Y444 HydrophobicContact CD1-CG 4.49Å; Y392-Y444 HydrophobicContact CE1-CG 4.34Å; M401-Y444 HydrophobicContact CB-CD2 3.69Å; M401-Y444 HydrophobicContact CB-CE2 4.09Å; M401-Y444 HydrophobicContact CB-CG 4.26Å; M401-Y444 HydrophobicContact CE-CD1 4.34Å; M401-Y444 HydrophobicContact CE-CD2 3.9Å; M401-Y444 HydrophobicContact CE-CE1 3.79Å; M401-Y444 HydrophobicContact CE-CE2 3.29Å; M401-Y444 HydrophobicContact CE-CG 4.38Å; M401-Y444 WeakPolarHBondContact CE-OH 3.35Å; M401-Y444 WeakPolarHBondContact O-CD2 3.23Å; D402-Y444 PolarHBondContact OD1-N 2.77Å
445	R	80.9	Confident	93.3	Very high	150 Å²	150	33.8 Å²	33.8	57%	0.566	15%	0.153	S	C	*	.			trans	-133.4	156.5	-169.6	-68.4	-171.2	177.7	-175.9	-0	111.7	F363 Y392 D402 S442	F363-R445 WeakPolarHBondContact CE2-O 3.12Å; Y392-R445 HydrophobicContact CD1-CB 4.12Å; Y392-R445 HydrophobicContact CD1-CG 4.07Å; Y392-R445 HydrophobicContact CE1-CG 4.16Å; Y392-R445 HydrophobicContact CG-CB 4.04Å; Y392-R445 HydrophobicContact CG-CG 4.27Å; D402-R445 PolarHBondContact OD2-N 3.49Å; S442-R445 PolarHBondContact OG-O 3.15Å
446	A	81.2	Confident	93.4	Very high	63 Å²	63	33.3 Å²	33.3	52%	0.521	15%	0.151	S	C	.	.			trans	-74.3	148.5	164.5	0	0	0	0	0	109.7	F363	F363-A446 WeakPolarHBondContact O-CB 3.49Å
447	G	83.4	Confident	93.2	Very high	8 Å²	8	34.3 Å²	34.3	8%	0.082	16%	0.157	C	C	.	.			trans	-147.4	171.9	173.1	0	0	0	0	0	110.5	A362 F363 G449	A362-G447 WeakPolarHBondContact CA-O 3.36Å; A362-G447 VanDerWaalsContact CB-O 3.3Å; A362-G447 WeakPolarHBondContact CB-O 3.23Å; F363-G447 WeakPolarHBondContact CD1-O 3.49Å; F363-G447 VanDerWaalsContact CE1-C 3.44Å; F363-G447 WeakPolarHBondContact CE1-O 3.37Å; F363-G447 VanDerWaalsContact CZ-N 3.25Å; F363-G447 PolarHBondContact N-O 3.12Å; F363-G447 VanDerWaalsContact N-O 3.16Å; G447-G449 PolarHBondContact O-N 2.93Å
448	L	91.1	Very high	92.7	Very high	68 Å²	68	37.7 Å²	37.7	36%	0.356	18%	0.179	S	C	.	.			trans	-66.3	-20.1	179.6	-58.5	171.9	0	0	0	112.6	Y359 D390	Y359-L448 WeakPolarHBondContact CD2-O 3.18Å; D390-L448 HydrophobicContact CB-CB 3.91Å; D390-L448 HydrophobicContact CB-CG 4.42Å; D390-L448 PolarHBondContact OD2-N 3.04Å
449	G	94.8	Very high	91.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	86.4	-148	173.7	0	0	0	0	0	112.9	S356 F389 D390 G447	S356-G449 VanDerWaalsContact OG-CA 3.22Å; S356-G449 WeakPolarHBondContact OG-CA 3.49Å; F389-G449 CarbonylContact C-O 3.37Å; F389-G449 WeakPolarHBondContact CA-O 3.5Å; D390-G449 PolarHBondContact N-O 3.38Å; D390-G449 WeakPolarHBondContact O-CA 3.39Å; D390-G449 PolarHBondContact O-N 3.05Å; G447-G449 PolarHBondContact O-N 2.93Å
450	F	96.1	Very high	90.2	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	156.7	-176.5	72.5	-84.4	0	0	0	111.7	F354 N355 S356 Y359 W371 F385 F389 I391 I404 F440 A452	F354-F450 AromaticContact CD2-CE2 3.88Å; F354-F450 HydrophobicContact CD2-CE2 3.88Å; F354-F450 HydrophobicContact CD2-CZ 4.22Å; F354-F450 AromaticContact CE2-CE2 3.55Å; F354-F450 HydrophobicContact CE2-CE2 3.55Å; F354-F450 AromaticContact CE2-CZ 3.96Å; F354-F450 HydrophobicContact CE2-CZ 3.96Å; F354-F450 HydrophobicContact CZ-CE2 4.25Å; N355-F450 VanDerWaalsContact CA-O 3.22Å; N355-F450 WeakPolarHBondContact CA-O 3.26Å; N355-F450 WeakPolarHBondContact CB-O 3.26Å; S356-F450 PolarHBondContact N-O 2.64Å; S356-F450 VanDerWaalsContact N-O 3.08Å; S356-F450 PolarHBondContact OG-N 3.03Å; S356-F450 PolarHBondContact OG-O 3.16Å; Y359-F450 WeakPolarHBondContact CD2-O 3.38Å; W371-F450 HydrophobicContact CH2-CZ 4.06Å; W371-F450 HydrophobicContact CZ3-CZ 4.16Å; F385-F450 HydrophobicContact CD1-CB 4.35Å; F385-F450 AromaticContact CD1-CD2 3.9Å; F385-F450 HydrophobicContact CD1-CD2 3.9Å; F385-F450 HydrophobicContact CD1-CG 4.38Å; F385-F450 AromaticContact CE1-CD2 3.72Å; F385-F450 HydrophobicContact CE1-CD2 3.72Å; F385-F450 HydrophobicContact CE1-CE2 4.14Å; F385-F450 HydrophobicContact CE1-CG 4.24Å; F389-F450 HydrophobicContact CD2-CB 3.85Å; F389-F450 HydrophobicContact CE2-CB 4.22Å; I391-F450 HydrophobicContact CD1-CD1 4.25Å; I404-F450 HydrophobicContact CD1-CB 4.1Å; I404-F450 HydrophobicContact CD1-CD1 3.4Å; I404-F450 HydrophobicContact CD1-CD2 4.37Å; I404-F450 HydrophobicContact CD1-CE1 3.85Å; I404-F450 HydrophobicContact CD1-CG 3.69Å; I404-F450 HydrophobicContact CG1-CD1 3.75Å; I404-F450 HydrophobicContact CG1-CE1 3.64Å; I404-F450 HydrophobicContact CG1-CG 4.37Å; I404-F450 HydrophobicContact CG1-CZ 4.18Å; F440-F450 HydrophobicContact CB-CE1 4.31Å; F440-F450 HydrophobicContact CD2-CD1 4.49Å; F440-F450 AromaticContact CD2-CE1 3.89Å; F440-F450 HydrophobicContact CD2-CE1 3.89Å; F440-F450 HydrophobicContact CG-CE1 4.19Å; F450-A452 HydrophobicContact CD2-CB 4.01Å; F450-A452 HydrophobicContact CE2-CB 4.12Å
451	R	96.4	Very high	88.9	Confident	83 Å²	83	45.5 Å²	45.5	31%	0.313	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	141.4	160.7	-165.8	179.6	-171.5	171.8	3.8	109.5	N355 Y359 I386 E387	N355-R451 HydrophobicContact CB-CG 4.44Å; Y359-R451 HydrophobicContact CD1-CB 4.12Å; Y359-R451 HydrophobicContact CE1-CB 3.67Å; Y359-R451 HydrophobicContact CE1-CG 4.23Å; Y359-R451 HydrophobicContact CE2-CB 4.33Å; I386-R451 HydrophobicContact CD1-CG 3.96Å; I386-R451 HydrophobicContact CG1-CB 3.96Å; I386-R451 HydrophobicContact CG1-CG 3.87Å; I386-R451 PolarHBondContact N-O 3.46Å; E387-R451 VanDerWaalsContact CD-CD 3.48Å; E387-R451 VanDerWaalsContact OE1-CD 3.24Å; E387-R451 WeakPolarHBondContact OE1-CD 3.33Å; E387-R451 IonicContact OE1-CZ 3.48Å; E387-R451 IonicContact OE1-NE 3.6Å; E387-R451 IonicContact OE1-NH1 3.38Å; E387-R451 PolarHBondContact OE1-NH1 3.13Å; E387-R451 WeakPolarHBondContact OE2-CD 3.37Å; E387-R451 IonicContact OE2-NH1 2.85Å
452	A	97.8	Very high	87.6	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	166.4	179.1	0	0	0	0	0	111	Y353 F354 L383 E384 F385 F450	Y353-A452 WeakPolarHBondContact CA-O 3.5Å; F354-A452 HydrophobicContact CD1-CB 4Å; F354-A452 HydrophobicContact CE1-CB 3.39Å; F354-A452 HydrophobicContact CE2-CB 4.22Å; F354-A452 HydrophobicContact CZ-CB 3.52Å; F354-A452 PolarHBondContact N-O 3.38Å; F354-A452 PolarHBondContact O-N 3.48Å; L383-A452 HydrophobicContact CD1-CB 4.24Å; E384-A452 CarbonylContact O-C 3.6Å; E384-A452 WeakPolarHBondContact O-CA 3.29Å; E384-A452 WeakPolarHBondContact O-CB 3.48Å; F385-A452 HydrophobicContact CD1-CB 3.84Å; F385-A452 HydrophobicContact CE1-CB 4.12Å; F385-A452 HydrophobicContact CG-CB 4.36Å; F450-A452 HydrophobicContact CD2-CB 4.01Å; F450-A452 HydrophobicContact CE2-CB 4.12Å
453	R	97.6	Very high	86.9	Confident	57 Å²	57	56.1 Å²	56.1	22%	0.215	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	145.7	176.4	59.8	-179.7	-173.7	-164.2	-5.5	111.2	W351 V352 Y353 E384 I386	W351-R453 HydrophobicContact CB-CB 4.43Å; W351-R453 HydrophobicContact CD2-CB 4.25Å; W351-R453 HydrophobicContact CD2-CG 3.91Å; W351-R453 HydrophobicContact CE3-CB 3.68Å; W351-R453 HydrophobicContact CE3-CG 3.45Å; W351-R453 VanDerWaalsContact CE3-CG 3.45Å; W351-R453 HydrophobicContact CH2-CG 4.29Å; W351-R453 HydrophobicContact CZ3-CB 4.24Å; W351-R453 HydrophobicContact CZ3-CG 3.67Å; V352-R453 CarbonylContact O-C 3.53Å; V352-R453 WeakPolarHBondContact O-CA 3.25Å; Y353-R453 HydrophobicContact CD1-CB 3.81Å; Y353-R453 HydrophobicContact CE1-CB 3.92Å; Y353-R453 HydrophobicContact CE1-CG 4.44Å; Y353-R453 HydrophobicContact CG-CB 4.34Å; E384-R453 HydrophobicContact CB-CG 4.13Å; E384-R453 PolarHBondContact N-O 3.36Å; E384-R453 PolarHBondContact O-N 3.34Å; E384-R453 IonicContact OE1-CZ 2.69Å; E384-R453 IonicContact OE1-NH2 3.87Å; E384-R453 PolarHBondContact OE1-NH2 2.74Å; E384-R453 IonicContact OE2-CZ 3.73Å; E384-R453 IonicContact OE2-NE 2.72Å; E384-R453 PolarHBondContact OE2-NE 3.47Å; E384-R453 IonicContact OE2-NH2 3.54Å; E384-R453 PolarHBondContact OE2-NH2 3.5Å; I386-R453 HydrophobicContact CG2-CG 4.2Å
454	A	98.4	Very high	86.8	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.4	178	0	0	0	0	0	111.5	V347 V352 F373 V381 E382 L383	V347-A454 HydrophobicContact CG1-CB 4.3Å; V352-A454 PolarHBondContact N-O 3.45Å; V352-A454 PolarHBondContact O-N 2.86Å; F373-A454 HydrophobicContact CD1-CB 3.76Å; F373-A454 HydrophobicContact CE1-CB 3.73Å; F373-A454 HydrophobicContact CE2-CB 4.49Å; F373-A454 HydrophobicContact CG-CB 4.16Å; F373-A454 HydrophobicContact CZ-CB 4.12Å; V381-A454 HydrophobicContact CG1-CB 4.27Å; E382-A454 CarbonylContact O-C 3.03Å; E382-A454 WeakPolarHBondContact O-CA 3.35Å; L383-A454 HydrophobicContact CD1-CB 4.43Å
455	R	97.4	Very high	87.1	Confident	68 Å²	68	59.8 Å²	59.8	26%	0.257	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	168.2	173.5	70.3	176	173.8	171.1	2.8	111.5	N348 S349 R350 W351 V381 E382 V457	N348-R455 CarbonylContact O-C 3.51Å; N348-R455 WeakPolarHBondContact O-CA 3.37Å; N348-R455 WeakPolarHBondContact O-CB 3.4Å; S349-R455 WeakPolarHBondContact O-CD 3.5Å; R350-R455 WeakPolarHBondContact O-CB 3.47Å; W351-R455 HydrophobicContact CD2-CB 4.22Å; W351-R455 HydrophobicContact CD2-CG 4.07Å; W351-R455 HydrophobicContact CE3-CB 3.8Å; W351-R455 HydrophobicContact CE3-CG 3.71Å; W351-R455 HydrophobicContact CH2-CG 3.9Å; W351-R455 HydrophobicContact CZ2-CG 4.21Å; W351-R455 HydrophobicContact CZ3-CB 4.14Å; W351-R455 HydrophobicContact CZ3-CG 3.62Å; V381-R455 WeakPolarHBondContact CA-O 3.48Å; E382-R455 HydrophobicContact CB-CG 4.32Å; E382-R455 PolarHBondContact N-O 3.44Å; E382-R455 PolarHBondContact O-N 2.77Å; E382-R455 IonicContact OE1-NH2 3.92Å; E382-R455 IonicContact OE2-CZ 3.49Å; E382-R455 IonicContact OE2-NE 3.05Å; E382-R455 PolarHBondContact OE2-NE 3.3Å; E382-R455 IonicContact OE2-NH2 3.22Å; E382-R455 PolarHBondContact OE2-NH2 2.83Å; R455-V457 HydrophobicContact CG-CG1 4.05Å
456	A	96.3	Very high	87.6	Confident	5 Å²	5	55.9 Å²	55.9	4%	0.041	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	133.6	171.1	0	0	0	0	0	110.7	V347 N348 A375 L379 R380	V347-A456 HydrophobicContact CG2-CB 4.22Å; N348-A456 PolarHBondContact O-N 3.15Å; A375-A456 HydrophobicContact CB-CB 3.93Å; L379-A456 HydrophobicContact CB-CB 4.23Å; L379-A456 HydrophobicContact CD1-CB 3.86Å; R380-A456 CarbonylContact O-C 3.53Å; R380-A456 WeakPolarHBondContact O-CA 3.41Å
457	V	92.5	Very high	88	Confident	20 Å²	20	54.7 Å²	54.7	12%	0.121	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	154.7	176.8	-61.4	0	0	0	0	110.6	L379 R380 E382 Y430 R455	L379-V457 WeakPolarHBondContact CA-O 3.24Å; R380-V457 HydrophobicContact CG-CG2 3.77Å; R380-V457 PolarHBondContact N-O 3.47Å; R380-V457 PolarHBondContact O-N 3.13Å; E382-V457 HydrophobicContact CB-CG1 3.95Å; E382-V457 HydrophobicContact CB-CG2 3.92Å; Y430-V457 HydrophobicContact CD1-CG2 4.13Å; Y430-V457 HydrophobicContact CE1-CG2 4.13Å; R455-V457 HydrophobicContact CG-CG1 4.05Å
458	P	87.7	Confident	88.5	Confident	72 Å²	72	60.6 Å²	60.6	47%	0.468	32%	0.316	S	S	.	.			trans	-60.8	149	170.7	-22.3	34.1	0	0	0	112	L379 T460	L379-P458 HydrophobicContact CD2-CB 4.38Å; L379-P458 HydrophobicContact CD2-CG 4.22Å; P458-T460 VanDerWaalsContact C-N 3.35Å
459	P	77	Confident	88.6	Confident	52 Å²	52	60.9 Å²	60.9	34%	0.338	31%	0.313	S	S	.	.	S	Bend	trans	-71.3	-32	174.4	27.2	-33.1	0	0	0	112.7	G378 L493	G378-P459 WeakPolarHBondContact O-CD 3.47Å; P459-L493 PolarHBondContact O-N 3.24Å
460	T	69	Low	88.2	Confident	97 Å²	97	63.4 Å²	63.4	60%	0.595	33%	0.33	S	S	*	.	B	Isolated β-bridge	trans	-83.5	134.1	177.5	48.8	0	0	0	0	110.4	P458 L493	P458-T460 VanDerWaalsContact C-N 3.35Å; T460-L493 CarbonylContact C-O 3.57Å; T460-L493 VanDerWaalsContact CA-O 3.25Å; T460-L493 WeakPolarHBondContact CA-O 3.35Å
461	G	68.8	Low	88	Confident	14 Å²	14	68.9 Å²	68.9	14%	0.144	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-89.3	150.1	170.8	0	0	0	0	0	110.6	L493 C494	G461-L493 PolarHBondContact N-O 2.79Å; G461-C494 VanDerWaalsContact C-SG 3.54Å; G461-C494 PolarHBondContact O-SG 2.97Å
462	E	69.6	Low	87.6	Confident	172 Å²	172	66.8 Å²	66.8	80%	0.804	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-87.7	134.8	158.9	-66.4	-179.8	179.4	0	0	107.4	P489	E462-P489 WeakPolarHBondContact O-CD 3.16Å; E462-P489 WeakPolarHBondContact O-CG 2.93Å
463	W	79.8	Confident	87.1	Confident	55 Å²	55	70.7 Å²	70.7	21%	0.208	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-58.7	143.5	170.6	-67.7	99.4	0	0	0	109.7	R486 C488 C494 A495 G496 A498	W463-R486 HydrophobicContact CB-CG 4.25Å; W463-R486 HydrophobicContact CD2-CG 3.95Å; W463-R486 HydrophobicContact CE3-CB 4.44Å; W463-R486 HydrophobicContact CE3-CG 3.58Å; W463-R486 HydrophobicContact CG-CG 4.26Å; W463-R486 VanDerWaalsContact CG-NE 3.33Å; W463-R486 HydrophobicContact CZ3-CG 4.22Å; W463-C488 HydrophobicContact CD2-CB 4.49Å; W463-C488 HydrophobicContact CE3-CB 3.78Å; W463-C488 HydrophobicContact CH2-CB 4.06Å; W463-C488 HydrophobicContact CZ3-CB 3.57Å; W463-C494 HydrophobicContact CD2-CB 3.6Å; W463-C494 HydrophobicContact CE3-CB 4.18Å; W463-C494 HydrophobicContact CG-CB 3.93Å; W463-C494 HydrophobicContact CH2-CB 4.24Å; W463-C494 HydrophobicContact CZ2-CB 3.65Å; W463-A495 PolarHBondContact NE1-O 2.63Å; W463-G496 VanDerWaalsContact CZ2-O 3.23Å; W463-G496 WeakPolarHBondContact CZ2-O 3.08Å; W463-A498 HydrophobicContact CH2-CB 3.67Å; W463-A498 HydrophobicContact CZ3-CB 3.76Å
464	N	84.4	Confident	86.5	Confident	83 Å²	83	70.4 Å²	70.4	44%	0.444	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-58.7	163.4	165.3	-70.8	-24.6	0	0	0	110.3	W466 D487	N464-W466 PolarHBondContact O-N 3.44Å; N464-D487 WeakPolarHBondContact CB-O 3.32Å; N464-D487 PolarHBondContact N-O 3.43Å; N464-D487 PolarHBondContact ND2-O 3.2Å
465	Q	88.9	Confident	86	Confident	189 Å²	189	75.5 Å²	75.5	88%	0.883	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-53.4	141.5	170.1	-67.5	-173.2	-5.4	0	0	109.7	G467	Q465-G467 PolarHBondContact O-N 3.29Å
466	W	90.6	Very high	85.5	Confident	68 Å²	68	73.6 Å²	73.6	26%	0.258	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-55.4	136	173	-76.6	109.1	0	0	0	110.6	N464 R484 R486 A498 E500	N464-W466 PolarHBondContact O-N 3.44Å; W466-R484 HydrophobicContact CD2-CG 4.08Å; W466-R484 HydrophobicContact CE3-CB 4.31Å; W466-R484 HydrophobicContact CE3-CG 3.63Å; W466-R484 HydrophobicContact CZ3-CG 4.15Å; W466-R484 WeakPolarHBondContact CZ3-O 3.47Å; W466-R486 HydrophobicContact CD2-CB 4.01Å; W466-R486 HydrophobicContact CD2-CG 4.03Å; W466-R486 VanDerWaalsContact CE2-CD 3.44Å; W466-R486 HydrophobicContact CE3-CB 3.64Å; W466-R486 HydrophobicContact CE3-CG 3.68Å; W466-R486 HydrophobicContact CH2-CG 3.76Å; W466-R486 VanDerWaalsContact CZ2-CD 3.43Å; W466-R486 HydrophobicContact CZ2-CG 4.12Å; W466-R486 VanDerWaalsContact CZ2-NE 3.29Å; W466-R486 HydrophobicContact CZ3-CB 3.99Å; W466-R486 HydrophobicContact CZ3-CG 3.55Å; W466-A498 WeakPolarHBondContact CZ3-O 3.31Å; W466-E500 HydrophobicContact CH2-CB 3.47Å; W466-E500 VanDerWaalsContact CH2-CB 3.47Å; W466-E500 HydrophobicContact CZ2-CB 3.79Å; W466-E500 HydrophobicContact CZ3-CB 3.85Å
467	G	90.9	Very high	85.1	Confident	37 Å²	37	73.3 Å²	73.3	38%	0.381	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-62.3	172.3	166.5	0	0	0	0	0	111.7	Q465 Q485	Q465-G467 PolarHBondContact O-N 3.29Å; G467-Q485 PolarHBondContact N-O 3.48Å
468	T	94	Very high	84.8	Confident	133 Å²	133	72.4 Å²	72.4	82%	0.816	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-63.3	145	174.2	53.3	0	0	0	0	110.6
469	W	92	Very high	84.6	Confident	73 Å²	73	71.5 Å²	71.5	28%	0.277	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-57.7	139.7	166.7	-71.5	106.5	0	0	0	110.1	Q482 T483 R484 E500 N502	W469-Q482 HydrophobicContact CD2-CG 4.08Å; W469-Q482 HydrophobicContact CE3-CB 4.02Å; W469-Q482 HydrophobicContact CE3-CG 3.61Å; W469-Q482 HydrophobicContact CZ3-CG 4.13Å; W469-Q482 VanDerWaalsContact CZ3-O 3.23Å; W469-Q482 WeakPolarHBondContact CZ3-O 3.36Å; W469-T483 VanDerWaalsContact CE3-C 3.45Å; W469-R484 HydrophobicContact CD2-CB 3.97Å; W469-R484 HydrophobicContact CD2-CG 3.89Å; W469-R484 HydrophobicContact CE3-CB 3.83Å; W469-R484 HydrophobicContact CE3-CG 3.78Å; W469-R484 HydrophobicContact CG-CB 4.41Å; W469-R484 HydrophobicContact CH2-CG 3.77Å; W469-R484 HydrophobicContact CZ2-CG 3.89Å; W469-R484 VanDerWaalsContact CZ2-NE 3.34Å; W469-R484 HydrophobicContact CZ3-CB 4.21Å; W469-R484 HydrophobicContact CZ3-CG 3.72Å; W469-E500 HydrophobicContact CH2-CB 4.31Å; W469-E500 HydrophobicContact CH2-CG 3.97Å; W469-E500 VanDerWaalsContact CZ3-O 3.31Å; W469-E500 WeakPolarHBondContact CZ3-O 3.31Å; W469-N502 HydrophobicContact CH2-CB 3.44Å; W469-N502 VanDerWaalsContact CH2-CB 3.44Å; W469-N502 HydrophobicContact CZ2-CB 3.93Å; W469-N502 HydrophobicContact CZ3-CB 3.82Å
470	S	86.3	Confident	84.8	Confident	54 Å²	54	69 Å²	69	38%	0.378	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-59.5	161.5	167.6	69.9	0	0	0	0	110.4	Q482 T483	S470-Q482 WeakPolarHBondContact OG-CA 3.31Å; S470-T483 WeakPolarHBondContact CB-O 3.39Å; S470-T483 PolarHBondContact N-O 3.02Å; S470-T483 PolarHBondContact OG-N 2.72Å; S470-T483 PolarHBondContact OG-O 3.49Å
471	S	91.4	Very high	85.6	Confident	115 Å²	115	67.5 Å²	67.5	80%	0.804	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-53.5	145.2	161.7	-55.9	0	0	0	0	109.9
472	C	89.3	Confident	86.4	Confident	39 Å²	39	68.7 Å²	68.7	26%	0.264	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-63.3	138.9	175.5	-167.8	0	0	0	0	109.9	V474 C504	C472-V474 VanDerWaalsContact CB-O 3.29Å; C472-V474 WeakPolarHBondContact CB-O 3.35Å; C472-V474 PolarHBondContact O-N 2.8Å; C472-V474 VanDerWaalsContact O-N 3.13Å; C472-V474 PolarHBondContact SG-O 2.89Å; C472-C504 WeakPolarHBondContact CA-SG 3.47Å; C472-C504 HydrophobicContact CB-CB 3.83Å; C472-C504 WeakPolarHBondContact CB-SG 3.5Å; C472-C504 WeakPolarHBondContact SG-CB 3.39Å; C472-C504 CovalentContact SG-SG 2.02Å; C472-C504 PolarHBondContact SG-SG 3.45Å
473	S	87.9	Confident	87.1	Confident	82 Å²	82	63 Å²	63	57%	0.573	37%	0.371	S	S	*	.	S	Bend	trans	-61.9	-19.1	178.3	63.4	0	0	0	0	113.9	V481	S473-V481 PolarHBondContact N-O 3.42Å; S473-V481 PolarHBondContact OG-N 2.91Å; S473-V481 PolarHBondContact OG-O 3.09Å
474	V	83.9	Confident	87.6	Confident	51 Å²	51	63.3 Å²	63.3	31%	0.309	37%	0.372	S	S	.	.	S	Bend	trans	-137.5	158.3	175.4	-52.7	0	0	0	0	110	C472 C476	C472-V474 VanDerWaalsContact CB-O 3.29Å; C472-V474 WeakPolarHBondContact CB-O 3.35Å; C472-V474 PolarHBondContact O-N 2.8Å; C472-V474 VanDerWaalsContact O-N 3.13Å; C472-V474 PolarHBondContact SG-O 2.89Å; V474-C476 VanDerWaalsContact CG2-O 3.27Å; V474-C476 WeakPolarHBondContact CG2-O 3.37Å
475	S	87.5	Confident	87.9	Confident	106 Å²	106	65.9 Å²	65.9	74%	0.741	38%	0.381	S	S	*	.	S	Bend	trans	-85.7	-23.9	177.6	52.2	0	0	0	0	114.1
476	C	88.4	Confident	87.7	Confident	28 Å²	28	59.3 Å²	59.3	19%	0.189	35%	0.348	C	S	.	.	S	Bend	trans	-155.5	170.1	-173.7	60.8	0	0	0	0	111.4	V474 G505 Q507 C509	V474-C476 VanDerWaalsContact CG2-O 3.27Å; V474-C476 WeakPolarHBondContact CG2-O 3.37Å; C476-G505 CarbonylContact C-O 3.42Å; C476-G505 WeakPolarHBondContact CA-O 3.42Å; C476-Q507 CarbonylContact C-O 3.57Å; C476-Q507 VanDerWaalsContact CA-O 3.29Å; C476-Q507 WeakPolarHBondContact CA-O 3.16Å; C476-Q507 VanDerWaalsContact CB-O 3.25Å; C476-Q507 WeakPolarHBondContact CB-O 3.01Å; C476-C509 HydrophobicContact CB-CB 3.96Å; C476-C509 WeakPolarHBondContact CB-SG 3.44Å; C476-C509 WeakPolarHBondContact SG-CA 3.31Å; C476-C509 WeakPolarHBondContact SG-CB 3.03Å; C476-C509 CovalentContact SG-SG 2.04Å; C476-C509 PolarHBondContact SG-SG 3.22Å
477	G	87.8	Confident	87.5	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	37%	0.365	C	S	.	.	S	Bend	trans	98.5	-8.5	172.1	0	0	0	0	0	115.8	C479 G505 Q507 C545	G477-C479 VanDerWaalsContact C-N 3.29Å; G477-C479 PolarHBondContact O-N 2.84Å; G477-G505 PolarHBondContact N-O 3.43Å; G477-Q507 PolarHBondContact N-O 3.2Å; G477-C545 WeakPolarHBondContact O-CB 3.48Å; G477-C545 PolarHBondContact O-N 2.79Å; G477-C545 PolarHBondContact O-SG 3.04Å
478	G	85.5	Confident	86.9	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	36%	0.359	C	S	.	.	S	Bend	trans	83.6	-17.7	175.3	0	0	0	0	0	115.9	G480 C504 G505 W548	G478-G480 PolarHBondContact O-N 2.84Å; G478-C504 CarbonylContact C-O 3.42Å; G478-G505 WeakPolarHBondContact CA-O 3.29Å; G478-G505 PolarHBondContact N-O 2.7Å; G478-W548 WeakPolarHBondContact O-CH2 3.38Å; G478-W548 WeakPolarHBondContact O-CZ2 3.29Å; G478-W548 WeakPolarHBondContact O-CZ3 3.4Å
479	C	83.2	Confident	86	Confident	54 Å²	54	57.4 Å²	57.4	37%	0.365	34%	0.335	S	S	.	.			trans	-82.8	9.3	179.3	64	0	0	0	0	114.8	G477 C545	G477-C479 VanDerWaalsContact C-N 3.29Å; G477-C479 PolarHBondContact O-N 2.84Å; C479-C545 HydrophobicContact CB-CB 3.34Å; C479-C545 WeakPolarHBondContact CB-SG 3.32Å; C479-C545 PolarHBondContact N-SG 2.86Å; C479-C545 WeakPolarHBondContact SG-CB 3.04Å; C479-C545 CovalentContact SG-SG 2.04Å; C479-C545 PolarHBondContact SG-SG 2.83Å
480	G	82.6	Confident	84.6	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	150	178	0	0	0	0	0	112.2	G478 T503 C504	G478-G480 PolarHBondContact O-N 2.84Å; G480-T503 CarbonylContact O-C 3.5Å; G480-T503 VanDerWaalsContact O-CA 3.26Å; G480-T503 WeakPolarHBondContact O-CA 3.45Å; G480-C504 VanDerWaalsContact CA-O 3.29Å; G480-C504 WeakPolarHBondContact CA-O 3.49Å; G480-C504 PolarHBondContact N-O 2.74Å; G480-C504 VanDerWaalsContact N-O 3.09Å; G480-C504 PolarHBondContact O-N 2.74Å
481	V	84.8	Confident	83.2	Confident	64 Å²	64	60.4 Å²	60.4	39%	0.388	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131.3	174.5	-178.2	0	0	0	0	108.5	S473 T501 C504	S473-V481 PolarHBondContact N-O 3.42Å; S473-V481 PolarHBondContact OG-N 2.91Å; S473-V481 PolarHBondContact OG-O 3.09Å; V481-T501 HydrophobicContact CG1-CG2 3.17Å; V481-C504 PolarHBondContact N-SG 3.04Å; V481-C504 VanDerWaalsContact N-SG 3.42Å
482	Q	84.6	Confident	82.1	Confident	39 Å²	39	56.6 Å²	56.6	18%	0.182	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	148	167.7	56	179.9	-10.9	0	0	108.7	W469 S470 T501 N502 C504	W469-Q482 HydrophobicContact CD2-CG 4.08Å; W469-Q482 HydrophobicContact CE3-CB 4.02Å; W469-Q482 HydrophobicContact CE3-CG 3.61Å; W469-Q482 HydrophobicContact CZ3-CG 4.13Å; W469-Q482 VanDerWaalsContact CZ3-O 3.23Å; W469-Q482 WeakPolarHBondContact CZ3-O 3.36Å; S470-Q482 WeakPolarHBondContact OG-CA 3.31Å; Q482-T501 WeakPolarHBondContact O-CA 3.45Å; Q482-N502 HydrophobicContact CG-CB 4.3Å; Q482-N502 PolarHBondContact N-O 3.46Å; Q482-N502 PolarHBondContact O-N 3.14Å; Q482-C504 HydrophobicContact CB-CB 4.49Å; Q482-C504 HydrophobicContact CG-CB 3.96Å; Q482-C504 PolarHBondContact N-SG 3.04Å
483	T	86.1	Confident	81	Confident	54 Å²	54	60.9 Å²	60.9	33%	0.331	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	142.4	-177.6	-58.6	0	0	0	0	109.6	W469 S470 V499 E500	W469-T483 VanDerWaalsContact CE3-C 3.45Å; S470-T483 WeakPolarHBondContact CB-O 3.39Å; S470-T483 PolarHBondContact N-O 3.02Å; S470-T483 PolarHBondContact OG-N 2.72Å; S470-T483 PolarHBondContact OG-O 3.49Å; T483-V499 HydrophobicContact CG2-CG1 3.32Å; T483-E500 WeakPolarHBondContact CA-O 3.46Å; T483-E500 WeakPolarHBondContact CG2-O 3.48Å
484	R	90.1	Very high	80.5	Confident	61 Å²	61	58 Å²	58	23%	0.23	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	154.4	167.6	63.8	-179.8	-175.2	-173.8	-4.7	109.6	W466 W469 E500	W466-R484 HydrophobicContact CD2-CG 4.08Å; W466-R484 HydrophobicContact CE3-CB 4.31Å; W466-R484 HydrophobicContact CE3-CG 3.63Å; W466-R484 HydrophobicContact CZ3-CG 4.15Å; W466-R484 WeakPolarHBondContact CZ3-O 3.47Å; W469-R484 HydrophobicContact CD2-CB 3.97Å; W469-R484 HydrophobicContact CD2-CG 3.89Å; W469-R484 HydrophobicContact CE3-CB 3.83Å; W469-R484 HydrophobicContact CE3-CG 3.78Å; W469-R484 HydrophobicContact CG-CB 4.41Å; W469-R484 HydrophobicContact CH2-CG 3.77Å; W469-R484 HydrophobicContact CZ2-CG 3.89Å; W469-R484 VanDerWaalsContact CZ2-NE 3.34Å; W469-R484 HydrophobicContact CZ3-CB 4.21Å; W469-R484 HydrophobicContact CZ3-CG 3.72Å; R484-E500 HydrophobicContact CG-CB 4.1Å; R484-E500 IonicContact CZ-OE2 2.99Å; R484-E500 PolarHBondContact N-O 3.03Å; R484-E500 IonicContact NE-OE2 2.77Å; R484-E500 PolarHBondContact NE-OE2 3.37Å; R484-E500 IonicContact NH2-OE1 3.15Å; R484-E500 IonicContact NH2-OE2 2.82Å; R484-E500 PolarHBondContact NH2-OE2 3.27Å; R484-E500 PolarHBondContact O-N 3.12Å
485	Q	89.1	Confident	79.9	Confident	137 Å²	137	60 Å²	60	64%	0.64	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	152	-177	54.3	-174.7	-14.6	0	0	110.2	G467 A498 V499	G467-Q485 PolarHBondContact N-O 3.48Å; Q485-A498 WeakPolarHBondContact CA-O 3Å; Q485-V499 HydrophobicContact CB-CG2 4.5Å
486	R	85.9	Confident	79.2	Confident	50 Å²	50	57.5 Å²	57.5	19%	0.189	34%	0.342	C	S	.	.			trans	-136	146.2	175.8	61.9	-175.9	-178.6	174.4	-3.2	109.7	W463 W466 E497 A498	W463-R486 HydrophobicContact CB-CG 4.25Å; W463-R486 HydrophobicContact CD2-CG 3.95Å; W463-R486 HydrophobicContact CE3-CB 4.44Å; W463-R486 HydrophobicContact CE3-CG 3.58Å; W463-R486 HydrophobicContact CG-CG 4.26Å; W463-R486 VanDerWaalsContact CG-NE 3.33Å; W463-R486 HydrophobicContact CZ3-CG 4.22Å; W466-R486 HydrophobicContact CD2-CB 4.01Å; W466-R486 HydrophobicContact CD2-CG 4.03Å; W466-R486 VanDerWaalsContact CE2-CD 3.44Å; W466-R486 HydrophobicContact CE3-CB 3.64Å; W466-R486 HydrophobicContact CE3-CG 3.68Å; W466-R486 HydrophobicContact CH2-CG 3.76Å; W466-R486 VanDerWaalsContact CZ2-CD 3.43Å; W466-R486 HydrophobicContact CZ2-CG 4.12Å; W466-R486 VanDerWaalsContact CZ2-NE 3.29Å; W466-R486 HydrophobicContact CZ3-CB 3.99Å; W466-R486 HydrophobicContact CZ3-CG 3.55Å; R486-E497 VanDerWaalsContact CZ-O 3.24Å; R486-E497 PolarHBondContact NE-O 2.7Å; R486-E497 PolarHBondContact NH2-O 3.42Å; R486-A498 PolarHBondContact N-O 3.48Å
487	D	85.1	Confident	78.5	Confident	113 Å²	113	63.1 Å²	63.1	60%	0.604	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-97.2	137	179.6	-61.8	-51.5	0	0	0	110.9	N464	N464-D487 WeakPolarHBondContact CB-O 3.32Å; N464-D487 PolarHBondContact N-O 3.43Å; N464-D487 PolarHBondContact ND2-O 3.2Å
488	C	79.4	Confident	78.3	Confident	39 Å²	39	65 Å²	65	26%	0.264	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-83.1	130.9	164.2	-175.5	0	0	0	0	108	W463 Q490 S492 C494	W463-C488 HydrophobicContact CD2-CB 4.49Å; W463-C488 HydrophobicContact CE3-CB 3.78Å; W463-C488 HydrophobicContact CH2-CB 4.06Å; W463-C488 HydrophobicContact CZ3-CB 3.57Å; C488-Q490 PolarHBondContact O-N 3.17Å; C488-S492 PolarHBondContact SG-O 3.23Å; C488-C494 WeakPolarHBondContact CA-SG 3.27Å; C488-C494 HydrophobicContact CB-CB 3.72Å; C488-C494 WeakPolarHBondContact CB-SG 3.3Å; C488-C494 WeakPolarHBondContact SG-CB 3.36Å; C488-C494 PolarHBondContact SG-N 2.95Å; C488-C494 CovalentContact SG-SG 2.03Å; C488-C494 PolarHBondContact SG-SG 2.86Å
489	P	74.6	Confident	78	Confident	46 Å²	46	68.5 Å²	68.5	30%	0.299	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-50.6	134.7	174.5	-28	35.2	0	0	0	111.8	E462 G491 S492	E462-P489 WeakPolarHBondContact O-CD 3.16Å; E462-P489 WeakPolarHBondContact O-CG 2.93Å; P489-G491 PolarHBondContact O-N 2.94Å; P489-S492 WeakPolarHBondContact O-CB 2.67Å; P489-S492 PolarHBondContact O-N 3.09Å; P489-S492 VanDerWaalsContact O-N 3.08Å
490	Q	62.9	Low	78	Confident	151 Å²	151	69.4 Å²	69.4	71%	0.706	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	129.2	-178.6	-74.4	-171.9	-5.8	0	0	111.3	Y430 C488 S492	Y430-Q490 VanDerWaalsContact CE2-O 3.32Å; Y430-Q490 WeakPolarHBondContact CE2-O 3.14Å; Y430-Q490 PolarHBondContact OH-O 3.03Å; C488-Q490 PolarHBondContact O-N 3.17Å; Q490-S492 VanDerWaalsContact C-N 3.33Å
491	G	56.9	Low	78	Confident	40 Å²	40	73.5 Å²	73.5	41%	0.412	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	-1	179.2	0	0	0	0	0	115.2	R380 P489	R380-G491 PolarHBondContact NH1-O 3.18Å; P489-G491 PolarHBondContact O-N 2.94Å
492	S	67.9	Low	78	Confident	35 Å²	35	74.2 Å²	74.2	25%	0.245	43%	0.428	C	S	.	.			trans	-97.7	156.5	172.2	-61.9	0	0	0	0	112.7	C488 P489 Q490	C488-S492 PolarHBondContact SG-O 3.23Å; P489-S492 WeakPolarHBondContact O-CB 2.67Å; P489-S492 PolarHBondContact O-N 3.09Å; P489-S492 VanDerWaalsContact O-N 3.08Å; Q490-S492 VanDerWaalsContact C-N 3.33Å
493	L	67.9	Low	78	Confident	128 Å²	128	75.3 Å²	75.3	67%	0.67	44%	0.437	S	S	*	.	B	Isolated β-bridge	trans	-103.9	102.8	169.9	-77.5	147.6	0	0	0	109.1	P459 T460 G461	P459-L493 PolarHBondContact O-N 3.24Å; T460-L493 CarbonylContact C-O 3.57Å; T460-L493 VanDerWaalsContact CA-O 3.25Å; T460-L493 WeakPolarHBondContact CA-O 3.35Å; G461-L493 PolarHBondContact N-O 2.79Å
494	C	76.6	Confident	78	Confident	22 Å²	22	73 Å²	73	15%	0.149	42%	0.424	C	S	.	.			trans	-94.8	128.6	177	-53.4	0	0	0	0	110.4	G461 W463 C488	G461-C494 VanDerWaalsContact C-SG 3.54Å; G461-C494 PolarHBondContact O-SG 2.97Å; W463-C494 HydrophobicContact CD2-CB 3.6Å; W463-C494 HydrophobicContact CE3-CB 4.18Å; W463-C494 HydrophobicContact CG-CB 3.93Å; W463-C494 HydrophobicContact CH2-CB 4.24Å; W463-C494 HydrophobicContact CZ2-CB 3.65Å; C488-C494 WeakPolarHBondContact CA-SG 3.27Å; C488-C494 HydrophobicContact CB-CB 3.72Å; C488-C494 WeakPolarHBondContact CB-SG 3.3Å; C488-C494 WeakPolarHBondContact SG-CB 3.36Å; C488-C494 PolarHBondContact SG-N 2.95Å; C488-C494 CovalentContact SG-SG 2.03Å; C488-C494 PolarHBondContact SG-SG 2.86Å
495	A	71.8	Confident	78	Confident	92 Å²	92	70.8 Å²	70.8	76%	0.76	42%	0.42	S	S	*	.			trans	-83.8	136.7	177.9	0	0	0	0	0	111.6	W463	W463-A495 PolarHBondContact NE1-O 2.63Å
496	G	71.4	Confident	78	Confident	55 Å²	55	67.6 Å²	67.6	57%	0.567	41%	0.405	S	S	*	.	S	Bend	trans	106	-174.7	-179.2	0	0	0	0	0	113.8	W463	W463-G496 VanDerWaalsContact CZ2-O 3.23Å; W463-G496 WeakPolarHBondContact CZ2-O 3.08Å
497	E	74.1	Confident	78.3	Confident	145 Å²	145	72.1 Å²	72.1	68%	0.678	43%	0.428	S	S	*	.			trans	-85.2	143.5	-173.7	-62.4	-58.8	143.5	0	0	112.9	R486 V499	R486-E497 VanDerWaalsContact CZ-O 3.24Å; R486-E497 PolarHBondContact NE-O 2.7Å; R486-E497 PolarHBondContact NH2-O 3.42Å; E497-V499 VanDerWaalsContact C-N 3.34Å
498	A	83.1	Confident	78.5	Confident	39 Å²	39	67.6 Å²	67.6	32%	0.322	41%	0.405	S	S	.	.	S	Bend	trans	-81.6	-15.8	175.6	0	0	0	0	0	113.2	W463 W466 Q485 R486	W463-A498 HydrophobicContact CH2-CB 3.67Å; W463-A498 HydrophobicContact CZ3-CB 3.76Å; W466-A498 WeakPolarHBondContact CZ3-O 3.31Å; Q485-A498 WeakPolarHBondContact CA-O 3Å; R486-A498 PolarHBondContact N-O 3.48Å
499	V	80.2	Confident	78.9	Confident	75 Å²	75	66.7 Å²	66.7	46%	0.455	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	135.8	-174.5	-178.5	0	0	0	0	108.5	T483 Q485 E497	T483-V499 HydrophobicContact CG2-CG1 3.32Å; Q485-V499 HydrophobicContact CB-CG2 4.5Å; E497-V499 VanDerWaalsContact C-N 3.34Å
500	E	83.9	Confident	79.5	Confident	73 Å²	73	70 Å²	70	34%	0.341	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.1	175.3	-171.1	-177.4	-175.6	0	0	109.6	W466 W469 T483 R484	W466-E500 HydrophobicContact CH2-CB 3.47Å; W466-E500 VanDerWaalsContact CH2-CB 3.47Å; W466-E500 HydrophobicContact CZ2-CB 3.79Å; W466-E500 HydrophobicContact CZ3-CB 3.85Å; W469-E500 HydrophobicContact CH2-CB 4.31Å; W469-E500 HydrophobicContact CH2-CG 3.97Å; W469-E500 VanDerWaalsContact CZ3-O 3.31Å; W469-E500 WeakPolarHBondContact CZ3-O 3.31Å; T483-E500 WeakPolarHBondContact CA-O 3.46Å; T483-E500 WeakPolarHBondContact CG2-O 3.48Å; R484-E500 HydrophobicContact CG-CB 4.1Å; R484-E500 IonicContact CZ-OE2 2.99Å; R484-E500 PolarHBondContact N-O 3.03Å; R484-E500 IonicContact NE-OE2 2.77Å; R484-E500 PolarHBondContact NE-OE2 3.37Å; R484-E500 IonicContact NH2-OE1 3.15Å; R484-E500 IonicContact NH2-OE2 2.82Å; R484-E500 PolarHBondContact NH2-OE2 3.27Å; R484-E500 PolarHBondContact O-N 3.12Å
501	T	82	Confident	80.5	Confident	86 Å²	86	69.1 Å²	69.1	53%	0.528	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.4	-175.3	-58.6	0	0	0	0	109.1	V481 Q482	V481-T501 HydrophobicContact CG1-CG2 3.17Å; Q482-T501 WeakPolarHBondContact O-CA 3.45Å
502	N	84.1	Confident	81.6	Confident	78 Å²	78	68.1 Å²	68.1	42%	0.417	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	155.4	177.7	-168.9	20.5	0	0	0	111.4	W469 Q482	W469-N502 HydrophobicContact CH2-CB 3.44Å; W469-N502 VanDerWaalsContact CH2-CB 3.44Å; W469-N502 HydrophobicContact CZ2-CB 3.93Å; W469-N502 HydrophobicContact CZ3-CB 3.82Å; Q482-N502 HydrophobicContact CG-CB 4.3Å; Q482-N502 PolarHBondContact N-O 3.46Å; Q482-N502 PolarHBondContact O-N 3.14Å
503	T	84.6	Confident	82.1	Confident	62 Å²	62	74.5 Å²	74.5	38%	0.38	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	146.8	173.5	56.5	0	0	0	0	111.1	G480 Q506 W548	G480-T503 CarbonylContact O-C 3.5Å; G480-T503 VanDerWaalsContact O-CA 3.26Å; G480-T503 WeakPolarHBondContact O-CA 3.45Å; T503-Q506 PolarHBondContact O-NE2 3.41Å; T503-Q506 VanDerWaalsContact O-NE2 3.14Å; T503-W548 HydrophobicContact CG2-CH2 4.01Å; T503-W548 HydrophobicContact CG2-CZ2 4.08Å
504	C	87.2	Confident	82.6	Confident	7 Å²	7	72.5 Å²	72.5	5%	0.047	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	173.3	-178.1	58.1	0	0	0	0	111.8	C472 G478 G480 V481 Q482	C472-C504 WeakPolarHBondContact CA-SG 3.47Å; C472-C504 HydrophobicContact CB-CB 3.83Å; C472-C504 WeakPolarHBondContact CB-SG 3.5Å; C472-C504 WeakPolarHBondContact SG-CB 3.39Å; C472-C504 CovalentContact SG-SG 2.02Å; C472-C504 PolarHBondContact SG-SG 3.45Å; G478-C504 CarbonylContact C-O 3.42Å; G480-C504 VanDerWaalsContact CA-O 3.29Å; G480-C504 WeakPolarHBondContact CA-O 3.49Å; G480-C504 PolarHBondContact N-O 2.74Å; G480-C504 VanDerWaalsContact N-O 3.09Å; G480-C504 PolarHBondContact O-N 2.74Å; V481-C504 PolarHBondContact N-SG 3.04Å; V481-C504 VanDerWaalsContact N-SG 3.42Å; Q482-C504 HydrophobicContact CB-CB 4.49Å; Q482-C504 HydrophobicContact CG-CB 3.96Å; Q482-C504 PolarHBondContact N-SG 3.04Å
505	G	89.4	Confident	82.8	Confident	14 Å²	14	78.5 Å²	78.5	14%	0.144	43%	0.431	C	S	.	.			trans	75.8	33.3	178.8	0	0	0	0	0	113.4	C476 G477 G478 Q507	C476-G505 CarbonylContact C-O 3.42Å; C476-G505 WeakPolarHBondContact CA-O 3.42Å; G477-G505 PolarHBondContact N-O 3.43Å; G478-G505 WeakPolarHBondContact CA-O 3.29Å; G478-G505 PolarHBondContact N-O 2.7Å; G505-Q507 PolarHBondContact O-N 3.01Å
506	Q	89.7	Confident	83.3	Confident	69 Å²	69	80.2 Å²	80.2	32%	0.322	42%	0.418	S	S	.	.			trans	-65.2	-8	-174.6	-66.6	79.2	4.8	0	0	114.7	T503 M554 C555	T503-Q506 PolarHBondContact O-NE2 3.41Å; T503-Q506 VanDerWaalsContact O-NE2 3.14Å; Q506-M554 HydrophobicContact CB-CB 4.47Å; Q506-M554 CarbonylContact O-C 3.38Å; Q506-M554 WeakPolarHBondContact O-CA 3.37Å; Q506-C555 WeakPolarHBondContact O-CB 3.24Å; Q506-C555 PolarHBondContact O-N 3.48Å
507	Q	90.9	Very high	83.7	Confident	146 Å²	146	84 Å²	84	68%	0.682	42%	0.422	S	S	*	.	S	Bend	trans	-66.7	131.7	172	-70.9	-176.9	-16.6	0	0	109.7	C476 G477 G505	C476-Q507 CarbonylContact C-O 3.57Å; C476-Q507 VanDerWaalsContact CA-O 3.29Å; C476-Q507 WeakPolarHBondContact CA-O 3.16Å; C476-Q507 VanDerWaalsContact CB-O 3.25Å; C476-Q507 WeakPolarHBondContact CB-O 3.01Å; G477-Q507 PolarHBondContact N-O 3.2Å; G505-Q507 PolarHBondContact O-N 3.01Å
508	P	90	Very high	84.1	Confident	18 Å²	18	79.2 Å²	79.2	12%	0.117	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-55.7	145.8	168.6	-23	34.7	0	0	0	111.1	D542 V550 G553	P508-D542 HydrophobicContact CB-CB 4.14Å; P508-V550 HydrophobicContact CB-CG2 4.31Å; P508-V550 HydrophobicContact CG-CG1 4.3Å; P508-V550 HydrophobicContact CG-CG2 3.97Å; P508-G553 WeakPolarHBondContact CD-O 3.48Å
509	C	88.5	Confident	84.1	Confident	20 Å²	20	80.4 Å²	80.4	14%	0.135	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	130.8	175.4	-64.6	0	0	0	0	110.2	C476 C540 K543	C476-C509 HydrophobicContact CB-CB 3.96Å; C476-C509 WeakPolarHBondContact CB-SG 3.44Å; C476-C509 WeakPolarHBondContact SG-CA 3.31Å; C476-C509 WeakPolarHBondContact SG-CB 3.03Å; C476-C509 CovalentContact SG-SG 2.04Å; C476-C509 PolarHBondContact SG-SG 3.22Å; C509-C540 PolarHBondContact O-SG 3.22Å; C509-K543 PolarHBondContact N-O 2.8Å; C509-K543 PolarHBondContact O-N 2.86Å; C509-K543 VanDerWaalsContact O-N 3.17Å
510	D	87.2	Confident	84.3	Confident	116 Å²	116	79.6 Å²	79.6	62%	0.62	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	-20.5	169.1	-67.1	-35.8	0	0	0	112.7	C540	D510-C540 CarbonylContact C-O 3.53Å; D510-C540 VanDerWaalsContact CA-O 3.24Å; D510-C540 WeakPolarHBondContact CA-O 3.36Å; D510-C540 PolarHBondContact O-N 3.48Å
511	K	83.7	Confident	84.1	Confident	131 Å²	131	80.6 Å²	80.6	57%	0.57	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.7	-179.6	-61.4	-174.2	-175.7	179.8	0	110.3	E537 V538	K511-E537 HydrophobicContact CD-CB 4.41Å; K511-E537 VanDerWaalsContact CD-OE2 3.27Å; K511-E537 WeakPolarHBondContact CD-OE2 3.43Å; K511-E537 IonicContact NZ-OE2 3.01Å; K511-E537 PolarHBondContact NZ-OE2 3.22Å; K511-V538 CarbonylContact C-O 3.13Å; K511-V538 VanDerWaalsContact CA-O 3.31Å; K511-V538 WeakPolarHBondContact CA-O 3.45Å
512	C	79.8	Confident	83.9	Confident	19 Å²	19	77.8 Å²	77.8	13%	0.128	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	148.2	-179.4	-72.3	0	0	0	0	110	E537 V538 C540 K543	C512-E537 WeakPolarHBondContact O-CA 3.34Å; C512-V538 HydrophobicContact CB-CG2 4.34Å; C512-V538 PolarHBondContact N-O 3.24Å; C512-V538 WeakPolarHBondContact O-CG2 3.39Å; C512-V538 PolarHBondContact O-N 2.99Å; C512-C540 VanDerWaalsContact CA-SG 3.57Å; C512-C540 HydrophobicContact CB-CB 3.64Å; C512-C540 WeakPolarHBondContact CB-SG 3.44Å; C512-C540 PolarHBondContact N-SG 2.98Å; C512-C540 WeakPolarHBondContact SG-CB 3.23Å; C512-C540 CovalentContact SG-SG 2.01Å; C512-C540 PolarHBondContact SG-SG 3.38Å; C512-K543 WeakPolarHBondContact SG-CD 3.42Å
513	K	78.6	Confident	83.6	Confident	170 Å²	170	76.6 Å²	76.6	74%	0.739	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	118.1	169.8	-67.4	-176.4	179.5	-178.9	0	108.7	V536	K513-V536 WeakPolarHBondContact CA-O 3.48Å
514	E	78.7	Confident	82.8	Confident	86 Å²	86	81 Å²	81	40%	0.402	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	141.3	166.4	-79.8	-179.4	-177.1	0	0	108.9	R516 A535 V536 V538	E514-R516 HydrophobicContact CB-CG 4.49Å; E514-R516 PolarHBondContact O-N 3.31Å; E514-R516 IonicContact OE2-CZ 3.09Å; E514-R516 IonicContact OE2-NE 2.64Å; E514-R516 PolarHBondContact OE2-NE 3.48Å; E514-R516 IonicContact OE2-NH2 3.52Å; E514-R516 PolarHBondContact OE2-NH2 3Å; E514-A535 WeakPolarHBondContact O-CA 3.2Å; E514-V536 PolarHBondContact N-O 3.07Å; E514-V536 PolarHBondContact O-N 3.38Å; E514-V538 HydrophobicContact CB-CG1 4.25Å; E514-V538 HydrophobicContact CB-CG2 4.05Å; E514-V538 HydrophobicContact CG-CG2 3.58Å
515	E	81.1	Confident	81.9	Confident	147 Å²	147	92 Å²	92	69%	0.687	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	120.1	167.5	-66.5	-172.9	162.1	0	0	109	M533	E515-M533 HydrophobicContact CB-CE 3.83Å; E515-M533 VanDerWaalsContact OE2-CE 3.25Å; E515-M533 WeakPolarHBondContact OE2-CE 3.49Å
516	R	80.6	Confident	80.9	Confident	129 Å²	129	93 Å²	93	49%	0.487	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	154.5	171.7	-59.9	-174.6	173.6	-161.4	-3.2	110.2	E514 V518 Q534 V536	E514-R516 HydrophobicContact CB-CG 4.49Å; E514-R516 PolarHBondContact O-N 3.31Å; E514-R516 IonicContact OE2-CZ 3.09Å; E514-R516 IonicContact OE2-NE 2.64Å; E514-R516 PolarHBondContact OE2-NE 3.48Å; E514-R516 IonicContact OE2-NH2 3.52Å; E514-R516 PolarHBondContact OE2-NH2 3Å; R516-V518 VanDerWaalsContact O-CG2 3.3Å; R516-V518 WeakPolarHBondContact O-CG2 3.11Å; R516-V518 PolarHBondContact O-N 3.3Å; R516-Q534 PolarHBondContact N-O 2.72Å; R516-Q534 PolarHBondContact O-N 2.95Å; R516-V536 HydrophobicContact CB-CG2 3.58Å; R516-V536 HydrophobicContact CG-CG2 3.84Å
517	M	79.7	Confident	80.4	Confident	135 Å²	135	96.7 Å²	96.7	67%	0.665	50%	0.498	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73	116.6	168	-150.5	177.4	-65.7	0	0	107.7	E531	M517-E531 HydrophobicContact CG-CB 3.97Å; M517-E531 HydrophobicContact SD-CB 4.16Å; M517-E531 VanDerWaalsContact SD-OE2 3.4Å
518	V	83.7	Confident	79.7	Confident	44 Å²	44	96.4 Å²	96.4	27%	0.267	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	145.5	-177.8	-143.9	0	0	0	0	109.1	R516 I520 G532 Q534 V536	R516-V518 VanDerWaalsContact O-CG2 3.3Å; R516-V518 WeakPolarHBondContact O-CG2 3.11Å; R516-V518 PolarHBondContact O-N 3.3Å; V518-I520 PolarHBondContact O-N 3.49Å; V518-G532 PolarHBondContact N-O 3.47Å; V518-G532 PolarHBondContact O-N 2.69Å; V518-Q534 HydrophobicContact CG2-CB 3.8Å; V518-V536 HydrophobicContact CG2-CG2 4.04Å
519	S	82.8	Confident	79.3	Confident	64 Å²	64	105.6 Å²	105.6	45%	0.448	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	117.1	174.6	-170.1	0	0	0	0	110.1	R529 C530	S519-R529 WeakPolarHBondContact OG-CB 3.27Å; S519-R529 WeakPolarHBondContact OG-CD 3.1Å; S519-C530 CarbonylContact C-O 3.5Å; S519-C530 VanDerWaalsContact CA-O 3.3Å; S519-C530 WeakPolarHBondContact CA-O 3.38Å
520	I	83.3	Confident	78.9	Confident	58 Å²	58	107.3 Å²	107.3	30%	0.297	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149.4	179.8	57.4	170.7	0	0	0	110.7	V518 R529 C530 Q534	V518-I520 PolarHBondContact O-N 3.49Å; I520-R529 WeakPolarHBondContact O-CA 3.3Å; I520-C530 HydrophobicContact CG1-CB 4.27Å; I520-C530 PolarHBondContact N-O 3.08Å; I520-C530 PolarHBondContact O-N 3.27Å; I520-Q534 HydrophobicContact CG2-CG 4.45Å
521	S	80.5	Confident	78.7	Confident	93 Å²	93	109 Å²	109	65%	0.65	54%	0.543	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	129.6	174.8	-60	0	0	0	0	110.1	F528	S521-F528 CarbonylContact C-O 3.52Å; S521-F528 WeakPolarHBondContact CA-O 3.44Å
522	C	78.9	Confident	78.5	Confident	28 Å²	28	103.6 Å²	103.6	19%	0.189	52%	0.524	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	163.1	-175.7	62.1	0	0	0	0	111.7	F528 C530	C522-F528 PolarHBondContact N-O 3.16Å; C522-F528 WeakPolarHBondContact O-CB 3.5Å; C522-F528 PolarHBondContact O-N 2.95Å; C522-F528 VanDerWaalsContact O-N 3.11Å; C522-F528 PolarHBondContact SG-O 3.39Å; C522-F528 VanDerWaalsContact SG-O 3.41Å; C522-C530 HydrophobicContact CB-CB 3.76Å; C522-C530 WeakPolarHBondContact CB-SG 3.42Å; C522-C530 WeakPolarHBondContact SG-CB 3.48Å; C522-C530 PolarHBondContact SG-N 3.31Å; C522-C530 CovalentContact SG-SG 2.03Å; C522-C530 PolarHBondContact SG-SG 3.24Å
523	G	77.1	Confident	78.5	Confident	53 Å²	53	109 Å²	109	55%	0.546	55%	0.549	S	S	.	.	S	Bend	trans	87.2	167.5	-176.4	0	0	0	0	0	114.1	W525 G526	G523-W525 PolarHBondContact O-N 3.17Å; G523-W525 VanDerWaalsContact O-N 3.12Å; G523-G526 PolarHBondContact O-N 3.41Å
524	L	67.9	Low	78.6	Confident	153 Å²	153	105.7 Å²	105.7	80%	0.801	54%	0.537	S	S	*	.	G	3₁₀ helix	trans	-54.4	119.4	174.7	-78.4	152.3	0	0	0	107.8	G526	L524-G526 PolarHBondContact O-N 3.29Å
525	W	67.4	Low	78.6	Confident	240 Å²	240	104.9 Å²	104.9	91%	0.909	55%	0.545	S	S	*	.	G	3₁₀ helix	trans	75.3	7.2	-179.3	-45.7	84	0	0	0	117.2	G523 L527	G523-W525 PolarHBondContact O-N 3.17Å; G523-W525 VanDerWaalsContact O-N 3.12Å; W525-L527 HydrophobicContact CB-CD1 4.5Å; W525-L527 PolarHBondContact O-N 3.25Å
526	G	68.9	Low	78.6	Confident	35 Å²	35	100.3 Å²	100.3	36%	0.361	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	71.8	23.3	173.3	0	0	0	0	0	115.4	G523 L524	G523-G526 PolarHBondContact O-N 3.41Å; L524-G526 PolarHBondContact O-N 3.29Å
527	L	78.3	Confident	78.6	Confident	145 Å²	145	100 Å²	100	76%	0.759	53%	0.531	S	S	*	.			trans	-78.5	-16.4	-177	-76.7	164	0	0	0	114.8	W525	W525-L527 HydrophobicContact CB-CD1 4.5Å; W525-L527 PolarHBondContact O-N 3.25Å
528	F	77.3	Confident	78.6	Confident	140 Å²	140	94.1 Å²	94.1	61%	0.614	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	148.6	-179.7	-58	-79.7	0	0	0	111.2	S521 C522	S521-F528 CarbonylContact C-O 3.52Å; S521-F528 WeakPolarHBondContact CA-O 3.44Å; C522-F528 PolarHBondContact N-O 3.16Å; C522-F528 WeakPolarHBondContact O-CB 3.5Å; C522-F528 PolarHBondContact O-N 2.95Å; C522-F528 VanDerWaalsContact O-N 3.11Å; C522-F528 PolarHBondContact SG-O 3.39Å; C522-F528 VanDerWaalsContact SG-O 3.41Å
529	R	80.5	Confident	78.4	Confident	211 Å²	211	98 Å²	98	80%	0.796	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.5	169.6	-83.7	-172.9	173.3	174.3	1.8	109.5	S519 I520	S519-R529 WeakPolarHBondContact OG-CB 3.27Å; S519-R529 WeakPolarHBondContact OG-CD 3.1Å; I520-R529 WeakPolarHBondContact O-CA 3.3Å
530	C	81.4	Confident	78.3	Confident	57 Å²	57	95.9 Å²	95.9	39%	0.385	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	160.9	172.2	-67.1	0	0	0	0	109.5	S519 I520 C522	S519-C530 CarbonylContact C-O 3.5Å; S519-C530 VanDerWaalsContact CA-O 3.3Å; S519-C530 WeakPolarHBondContact CA-O 3.38Å; I520-C530 HydrophobicContact CG1-CB 4.27Å; I520-C530 PolarHBondContact N-O 3.08Å; I520-C530 PolarHBondContact O-N 3.27Å; C522-C530 HydrophobicContact CB-CB 3.76Å; C522-C530 WeakPolarHBondContact CB-SG 3.42Å; C522-C530 WeakPolarHBondContact SG-CB 3.48Å; C522-C530 PolarHBondContact SG-N 3.31Å; C522-C530 CovalentContact SG-SG 2.03Å; C522-C530 PolarHBondContact SG-SG 3.24Å
531	E	81.7	Confident	78	Confident	151 Å²	151	102.1 Å²	102.1	71%	0.706	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	129.6	170	-70.7	-176.4	164.3	0	0	109.5	M517	M517-E531 HydrophobicContact CG-CB 3.97Å; M517-E531 HydrophobicContact SD-CB 4.16Å; M517-E531 VanDerWaalsContact SD-OE2 3.4Å
532	G	81.2	Confident	77.9	Confident	17 Å²	17	101.6 Å²	101.6	18%	0.175	53%	0.529	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	151	178.3	0	0	0	0	0	111.3	V518 Q534	V518-G532 PolarHBondContact N-O 3.47Å; V518-G532 PolarHBondContact O-N 2.69Å; G532-Q534 PolarHBondContact O-N 3.47Å
533	M	79.2	Confident	78.2	Confident	132 Å²	132	106 Å²	106	65%	0.65	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	122	173.5	-65.4	-170.8	74.9	0	0	109.5	E515	E515-M533 HydrophobicContact CB-CE 3.83Å; E515-M533 VanDerWaalsContact OE2-CE 3.25Å; E515-M533 WeakPolarHBondContact OE2-CE 3.49Å
534	Q	80.3	Confident	78.5	Confident	101 Å²	101	104.3 Å²	104.3	47%	0.472	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	147.8	169.1	-78.5	-177	-33	0	0	109.9	R516 V518 I520 G532 V536	R516-Q534 PolarHBondContact N-O 2.72Å; R516-Q534 PolarHBondContact O-N 2.95Å; V518-Q534 HydrophobicContact CG2-CB 3.8Å; I520-Q534 HydrophobicContact CG2-CG 4.45Å; G532-Q534 PolarHBondContact O-N 3.47Å; Q534-V536 PolarHBondContact O-N 3.44Å
535	A	79.1	Confident	79.2	Confident	70 Å²	70	98 Å²	98	58%	0.579	49%	0.492	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.2	114.1	168.2	0	0	0	0	0	109.1	E514	E514-A535 WeakPolarHBondContact O-CA 3.2Å
536	V	81	Confident	79.9	Confident	51 Å²	51	92.9 Å²	92.9	31%	0.309	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	142.9	176.8	-126.1	0	0	0	0	109.6	K513 E514 R516 V518 Q534 V538	K513-V536 WeakPolarHBondContact CA-O 3.48Å; E514-V536 PolarHBondContact N-O 3.07Å; E514-V536 PolarHBondContact O-N 3.38Å; R516-V536 HydrophobicContact CB-CG2 3.58Å; R516-V536 HydrophobicContact CG-CG2 3.84Å; V518-V536 HydrophobicContact CG2-CG2 4.04Å; Q534-V536 PolarHBondContact O-N 3.44Å; V536-V538 PolarHBondContact O-N 3.15Å
537	E	79.9	Confident	80.5	Confident	123 Å²	123	93.9 Å²	93.9	58%	0.575	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	116.1	171.1	-70.8	-172.1	172.7	0	0	109.8	K511 C512	K511-E537 HydrophobicContact CD-CB 4.41Å; K511-E537 VanDerWaalsContact CD-OE2 3.27Å; K511-E537 WeakPolarHBondContact CD-OE2 3.43Å; K511-E537 IonicContact NZ-OE2 3.01Å; K511-E537 PolarHBondContact NZ-OE2 3.22Å; C512-E537 WeakPolarHBondContact O-CA 3.34Å
538	V	81	Confident	80.8	Confident	11 Å²	11	89.1 Å²	89.1	7%	0.067	47%	0.473	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	148.9	172.5	-61.8	0	0	0	0	109.9	K511 C512 E514 V536 C540	K511-V538 CarbonylContact C-O 3.13Å; K511-V538 VanDerWaalsContact CA-O 3.31Å; K511-V538 WeakPolarHBondContact CA-O 3.45Å; C512-V538 HydrophobicContact CB-CG2 4.34Å; C512-V538 PolarHBondContact N-O 3.24Å; C512-V538 WeakPolarHBondContact O-CG2 3.39Å; C512-V538 PolarHBondContact O-N 2.99Å; E514-V538 HydrophobicContact CB-CG1 4.25Å; E514-V538 HydrophobicContact CB-CG2 4.05Å; E514-V538 HydrophobicContact CG-CG2 3.58Å; V536-V538 PolarHBondContact O-N 3.15Å; V538-C540 PolarHBondContact O-N 3.23Å
539	P	79.7	Confident	81.2	Confident	126 Å²	126	86.1 Å²	86.1	82%	0.818	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.4	123.8	170.1	-18.3	30.7	0	0	0	109.7
540	C	79.6	Confident	81.4	Confident	19 Å²	19	79.1 Å²	79.1	13%	0.128	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	117.9	167.3	61.1	0	0	0	0	106.5	C509 D510 C512 V538 D542 K543	C509-C540 PolarHBondContact O-SG 3.22Å; D510-C540 CarbonylContact C-O 3.53Å; D510-C540 VanDerWaalsContact CA-O 3.24Å; D510-C540 WeakPolarHBondContact CA-O 3.36Å; D510-C540 PolarHBondContact O-N 3.48Å; C512-C540 VanDerWaalsContact CA-SG 3.57Å; C512-C540 HydrophobicContact CB-CB 3.64Å; C512-C540 WeakPolarHBondContact CB-SG 3.44Å; C512-C540 PolarHBondContact N-SG 2.98Å; C512-C540 WeakPolarHBondContact SG-CB 3.23Å; C512-C540 CovalentContact SG-SG 2.01Å; C512-C540 PolarHBondContact SG-SG 3.38Å; V538-C540 PolarHBondContact O-N 3.23Å; C540-D542 PolarHBondContact O-N 3.22Å; C540-K543 HydrophobicContact CB-CB 4.19Å; C540-K543 HydrophobicContact CB-CD 4.43Å
541	K	77.3	Confident	81.6	Confident	189 Å²	189	82.8 Å²	82.8	82%	0.822	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	118.5	-177.9	-165.1	176.3	179.6	-178.5	0	109	K543	K541-K543 PolarHBondContact O-N 3.05Å
542	D	79	Confident	81.8	Confident	82 Å²	82	83 Å²	83	44%	0.439	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	56.8	47.6	171	-58.4	-52.5	0	0	0	115.4	P508 C540 V550	P508-D542 HydrophobicContact CB-CB 4.14Å; C540-D542 PolarHBondContact O-N 3.22Å; D542-V550 HydrophobicContact CB-CG2 4.48Å; D542-V550 VanDerWaalsContact O-CG2 3.28Å; D542-V550 WeakPolarHBondContact O-CG2 3.45Å
543	K	84.3	Confident	81.9	Confident	119 Å²	119	84.7 Å²	84.7	52%	0.517	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	132.6	-178.7	-156.4	-177.5	-171.8	175.4	0	112.8	C509 C512 C540 K541	C509-K543 PolarHBondContact N-O 2.8Å; C509-K543 PolarHBondContact O-N 2.86Å; C509-K543 VanDerWaalsContact O-N 3.17Å; C512-K543 WeakPolarHBondContact SG-CD 3.42Å; C540-K543 HydrophobicContact CB-CB 4.19Å; C540-K543 HydrophobicContact CB-CD 4.43Å; K541-K543 PolarHBondContact O-N 3.05Å
544	C	84.8	Confident	82.4	Confident	19 Å²	19	82.9 Å²	82.9	13%	0.128	47%	0.47	C	S	.	.	P	Polyproline II helix	trans	-96.8	164.8	169.4	-60.8	0	0	0	0	112.3	W548 V550 C555	C544-W548 HydrophobicContact CB-CB 3.75Å; C544-W548 WeakPolarHBondContact CB-O 3.37Å; C544-V550 WeakPolarHBondContact SG-CG2 3.4Å; C544-C555 WeakPolarHBondContact CA-SG 3.31Å; C544-C555 HydrophobicContact CB-CB 3.79Å; C544-C555 WeakPolarHBondContact CB-SG 3.04Å; C544-C555 WeakPolarHBondContact SG-CA 3.22Å; C544-C555 WeakPolarHBondContact SG-CB 3.25Å; C544-C555 CovalentContact SG-SG 2.03Å; C544-C555 PolarHBondContact SG-SG 3.21Å
545	C	82.1	Confident	82.7	Confident	19 Å²	19	78.1 Å²	78.1	13%	0.128	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-61.8	157.6	171.9	-60.6	0	0	0	0	111.3	G477 C479 G547 W548	G477-C545 WeakPolarHBondContact O-CB 3.48Å; G477-C545 PolarHBondContact O-N 2.79Å; G477-C545 PolarHBondContact O-SG 3.04Å; C479-C545 HydrophobicContact CB-CB 3.34Å; C479-C545 WeakPolarHBondContact CB-SG 3.32Å; C479-C545 PolarHBondContact N-SG 2.86Å; C479-C545 WeakPolarHBondContact SG-CB 3.04Å; C479-C545 CovalentContact SG-SG 2.04Å; C479-C545 PolarHBondContact SG-SG 2.83Å; C545-G547 PolarHBondContact O-N 3.09Å; C545-W548 WeakPolarHBondContact O-CB 3.08Å; C545-W548 PolarHBondContact O-N 3.38Å
546	P	81.6	Confident	82.9	Confident	133 Å²	133	78.1 Å²	78.1	86%	0.864	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	132.2	173.6	-26.2	35.2	0	0	0	112.1	W548	P546-W548 VanDerWaalsContact C-N 3.33Å
547	G	81.3	Confident	82.7	Confident	56 Å²	56	79.2 Å²	79.2	58%	0.577	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.4	6.7	-175.2	0	0	0	0	0	114.9	C545 A558	C545-G547 PolarHBondContact O-N 3.09Å; G547-A558 VanDerWaalsContact O-CB 3.32Å; G547-A558 WeakPolarHBondContact O-CB 3.32Å; G547-A558 PolarHBondContact O-N 3.34Å
548	W	84.1	Confident	82.5	Confident	46 Å²	46	75.5 Å²	75.5	17%	0.174	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	145.7	174	-66.7	66.4	0	0	0	110.3	G478 T503 C544 C545 P546 C555 H556 P557	G478-W548 WeakPolarHBondContact O-CH2 3.38Å; G478-W548 WeakPolarHBondContact O-CZ2 3.29Å; G478-W548 WeakPolarHBondContact O-CZ3 3.4Å; T503-W548 HydrophobicContact CG2-CH2 4.01Å; T503-W548 HydrophobicContact CG2-CZ2 4.08Å; C544-W548 HydrophobicContact CB-CB 3.75Å; C544-W548 WeakPolarHBondContact CB-O 3.37Å; C545-W548 WeakPolarHBondContact O-CB 3.08Å; C545-W548 PolarHBondContact O-N 3.38Å; P546-W548 VanDerWaalsContact C-N 3.33Å; W548-C555 HydrophobicContact CB-CB 4.5Å; W548-C555 HydrophobicContact CE3-CB 4.12Å; W548-C555 WeakPolarHBondContact CZ3-O 3.19Å; W548-H556 CarbonylContact C-O 3.59Å; W548-H556 WeakPolarHBondContact CA-O 3.38Å; W548-H556 WeakPolarHBondContact CB-O 3.35Å; W548-P557 HydrophobicContact CD2-CG 4.39Å; W548-P557 HydrophobicContact CE3-CG 4.2Å; W548-P557 VanDerWaalsContact CE3-N 3.34Å; W548-P557 HydrophobicContact CH2-CG 3.65Å; W548-P557 HydrophobicContact CZ2-CG 3.87Å; W548-P557 VanDerWaalsContact CZ3-CD 3.44Å; W548-P557 HydrophobicContact CZ3-CG 3.84Å
549	T	85.9	Confident	81.6	Confident	76 Å²	76	82.2 Å²	82.2	47%	0.466	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	147.8	178.9	53.6	0	0	0	0	110.9	K551 C555 H556 A558	T549-K551 PolarHBondContact O-N 3.09Å; T549-C555 WeakPolarHBondContact O-CA 3.34Å; T549-H556 PolarHBondContact N-O 2.93Å; T549-H556 PolarHBondContact O-N 2.8Å; T549-A558 HydrophobicContact CG2-CB 4.21Å
550	V	86.1	Confident	79.9	Confident	65 Å²	65	85 Å²	85	39%	0.394	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	121.1	174.8	-176.2	0	0	0	0	108.9	P508 D542 C544 M554	P508-V550 HydrophobicContact CB-CG2 4.31Å; P508-V550 HydrophobicContact CG-CG1 4.3Å; P508-V550 HydrophobicContact CG-CG2 3.97Å; D542-V550 HydrophobicContact CB-CG2 4.48Å; D542-V550 VanDerWaalsContact O-CG2 3.28Å; D542-V550 WeakPolarHBondContact O-CG2 3.45Å; C544-V550 WeakPolarHBondContact SG-CG2 3.4Å; V550-M554 WeakPolarHBondContact CA-O 3.32Å
551	K	84.1	Confident	77.9	Confident	134 Å²	134	95.2 Å²	95.2	58%	0.583	53%	0.525	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.1	125.7	170.9	-168.9	-178.9	-177.6	-179.3	0	108.3	T549 G553 M554 H556	T549-K551 PolarHBondContact O-N 3.09Å; K551-G553 PolarHBondContact O-N 2.99Å; K551-M554 PolarHBondContact N-O 2.92Å; K551-M554 PolarHBondContact O-N 2.84Å; K551-M554 VanDerWaalsContact O-N 3.12Å; K551-M554 VanDerWaalsContact O-O 3.06Å; K551-H556 PolarHBondContact O-CE1 3.47Å; K551-H556 PolarHBondContact O-ND1 3.4Å
552	N	85.9	Confident	77.9	Confident	154 Å²	154	90.5 Å²	90.5	82%	0.824	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	40.4	-176.1	-59.6	-16.4	0	0	0	113.7	M554	N552-M554 VanDerWaalsContact C-N 3.31Å; N552-M554 PolarHBondContact O-N 3.47Å
553	G	85	Confident	77.8	Confident	53 Å²	53	90.9 Å²	90.9	55%	0.546	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	77	6.6	179	0	0	0	0	0	115.8	P508 K551	P508-G553 WeakPolarHBondContact CD-O 3.48Å; K551-G553 PolarHBondContact O-N 2.99Å
554	M	89.2	Confident	77.5	Confident	94 Å²	94	89.4 Å²	89.4	46%	0.463	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	147.4	176.3	-63.4	-170.5	-59.3	0	0	112	Q506 V550 K551 N552 H556	Q506-M554 HydrophobicContact CB-CB 4.47Å; Q506-M554 CarbonylContact O-C 3.38Å; Q506-M554 WeakPolarHBondContact O-CA 3.37Å; V550-M554 WeakPolarHBondContact CA-O 3.32Å; K551-M554 PolarHBondContact N-O 2.92Å; K551-M554 PolarHBondContact O-N 2.84Å; K551-M554 VanDerWaalsContact O-N 3.12Å; K551-M554 VanDerWaalsContact O-O 3.06Å; N552-M554 VanDerWaalsContact C-N 3.31Å; N552-M554 PolarHBondContact O-N 3.47Å; M554-H556 PolarHBondContact O-N 2.73Å; M554-H556 PolarHBondContact O-ND1 2.79Å
555	C	86.4	Confident	77.1	Confident	1 Å²	1	93.5 Å²	93.5	1%	0.007	54%	0.536	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	122.8	172.8	-64.7	0	0	0	0	110.9	Q506 C544 W548 T549	Q506-C555 WeakPolarHBondContact O-CB 3.24Å; Q506-C555 PolarHBondContact O-N 3.48Å; C544-C555 WeakPolarHBondContact CA-SG 3.31Å; C544-C555 HydrophobicContact CB-CB 3.79Å; C544-C555 WeakPolarHBondContact CB-SG 3.04Å; C544-C555 WeakPolarHBondContact SG-CA 3.22Å; C544-C555 WeakPolarHBondContact SG-CB 3.25Å; C544-C555 CovalentContact SG-SG 2.03Å; C544-C555 PolarHBondContact SG-SG 3.21Å; W548-C555 HydrophobicContact CB-CB 4.5Å; W548-C555 HydrophobicContact CE3-CB 4.12Å; W548-C555 WeakPolarHBondContact CZ3-O 3.19Å; T549-C555 WeakPolarHBondContact O-CA 3.34Å
556	H	83.6	Confident	76.7	Confident	70 Å²	70	98.2 Å²	98.2	32%	0.324	56%	0.562	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.4	153.5	173.4	-67.1	78.7	0	0	0	110.4	W548 T549 K551 M554 A558	W548-H556 CarbonylContact C-O 3.59Å; W548-H556 WeakPolarHBondContact CA-O 3.38Å; W548-H556 WeakPolarHBondContact CB-O 3.35Å; T549-H556 PolarHBondContact N-O 2.93Å; T549-H556 PolarHBondContact O-N 2.8Å; K551-H556 PolarHBondContact O-CE1 3.47Å; K551-H556 PolarHBondContact O-ND1 3.4Å; M554-H556 PolarHBondContact O-N 2.73Å; M554-H556 PolarHBondContact O-ND1 2.79Å; H556-A558 PolarHBondContact O-N 2.58Å
557	P	76.1	Confident	76.4	Confident	75 Å²	75	95.9 Å²	95.9	49%	0.487	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	133.2	173.4	-17.9	29.9	0	0	0	110.1	W548 I559	W548-P557 HydrophobicContact CD2-CG 4.39Å; W548-P557 HydrophobicContact CE3-CG 4.2Å; W548-P557 VanDerWaalsContact CE3-N 3.34Å; W548-P557 HydrophobicContact CH2-CG 3.65Å; W548-P557 HydrophobicContact CZ2-CG 3.87Å; W548-P557 VanDerWaalsContact CZ3-CD 3.44Å; W548-P557 HydrophobicContact CZ3-CG 3.84Å; P557-I559 PolarHBondContact O-N 3.02Å; P557-I559 VanDerWaalsContact O-N 3.07Å
558	A	75.7	Confident	76.1	Confident	45 Å²	45	98.7 Å²	98.7	37%	0.372	54%	0.539	S	S	.	.			trans	-69.2	104.4	168.9	0	0	0	0	0	107.5	G547 T549 H556 M560	G547-A558 VanDerWaalsContact O-CB 3.32Å; G547-A558 WeakPolarHBondContact O-CB 3.32Å; G547-A558 PolarHBondContact O-N 3.34Å; T549-A558 HydrophobicContact CG2-CB 4.21Å; H556-A558 PolarHBondContact O-N 2.58Å; A558-M560 PolarHBondContact O-N 3.17Å
559	I	61.9	Low	75.5	Confident	151 Å²	151	102.8 Å²	102.8	77%	0.774	57%	0.567	S	S	*	*			trans	-64	106.3	173.7	-58.2	171.1	0	0	0	106.7	P557 L561	P557-I559 PolarHBondContact O-N 3.02Å; P557-I559 VanDerWaalsContact O-N 3.07Å; I559-L561 PolarHBondContact O-N 2.64Å
560	M	44.1	Very low	74.6	Confident	184 Å²	184	105 Å²	105	91%	0.906	58%	0.575	S	S	*	*			trans	-76.2	107.4	161.8	-72.1	-139	-75.9	0	0	106.8	A558	A558-M560 PolarHBondContact O-N 3.17Å
561	L	36.8	Very low	73.5	Confident	234 Å²	234	108.6 Å²	108.6	100%	1.225	59%	0.592	S	S	*	*			trans	-68.5	0	163.3	-85.6	164.5	0	0	0	110.2	I559	I559-L561 PolarHBondContact O-N 2.64Å

Retrieved 561 of 561 residues in 172.3 ms (Link to these results)

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