A0A5K4FCZ7_SCHMA Loading...

Endo/exonuclease/phosphatase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCZ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 471 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	41.1	Very low	46.6	Very low	111 Å²	111	59.4 Å²	59.4	55%	0.547	30%	0.304	S	S	.	.				0	67.6	0	-77.5	165.2	75.8	0	0	111.9	C3 N39 M42	M1-C3 VanDerWaalsContact C-N 3.31Å; M1-N39 HydrophobicContact CE-CB 4.4Å; M1-N39 HydrophobicContact SD-CB 3.86Å; M1-N39 PolarHBondContact SD-OD1 2.97Å; M1-M42 HydrophobicContact CE-CE 4.38Å
2	P	37.4	Very low	46.7	Very low	82 Å²	82	56.3 Å²	56.3	53%	0.532	29%	0.287	S	S	.	.			trans	-79.9	-15.7	160.5	25.5	-20.6	0	0	0	112.3	F4 V6	P2-F4 PolarHBondContact O-N 3.41Å; P2-V6 WeakPolarHBondContact O-CB 3.23Å; P2-V6 WeakPolarHBondContact O-CG2 3.29Å; P2-V6 PolarHBondContact O-N 3.13Å
3	C	43.7	Very low	46.9	Very low	59 Å²	59	58.9 Å²	58.9	40%	0.399	30%	0.295	S	S	.	.	H	α-helix	trans	-66.5	-36.6	-170.4	-64.6	0	0	0	0	114.5	M1 V6 C7	M1-C3 VanDerWaalsContact C-N 3.31Å; C3-V6 PolarHBondContact O-N 3.28Å; C3-C7 WeakPolarHBondContact O-CB 3.4Å; C3-C7 PolarHBondContact O-N 3.46Å; C3-C7 PolarHBondContact O-SG 2.97Å
4	F	45.4	Very low	47.1	Very low	40 Å²	40	64.5 Å²	64.5	18%	0.175	33%	0.327	C	S	.	.	H	α-helix	trans	-67.3	-48.2	-180	-176	-93.3	0	0	0	111.3	P2 V6 C7 F8 I46 P447	P2-F4 PolarHBondContact O-N 3.41Å; F4-V6 VanDerWaalsContact C-N 3.32Å; F4-V6 PolarHBondContact O-N 3.15Å; F4-C7 PolarHBondContact O-N 2.68Å; F4-F8 HydrophobicContact CE1-CD2 4.34Å; F4-F8 HydrophobicContact CZ-CD2 4.37Å; F4-F8 VanDerWaalsContact O-CB 3.28Å; F4-F8 WeakPolarHBondContact O-CB 3.26Å; F4-F8 PolarHBondContact O-N 3.34Å; F4-I46 HydrophobicContact CD1-CD1 3.91Å; F4-I46 HydrophobicContact CE1-CD1 3.4Å; F4-I46 HydrophobicContact CE1-CG1 4.31Å; F4-I46 HydrophobicContact CZ-CD1 3.81Å; F4-I46 HydrophobicContact CZ-CG2 4.19Å; F4-P447 HydrophobicContact CD2-CG 4.45Å
5	C	48.7	Very low	47	Very low	8 Å²	8	70.6 Å²	70.6	5%	0.054	34%	0.344	C	S	.	.	H	α-helix	trans	-61	-42.1	176.3	-66.7	0	0	0	0	112	W9 L28 I31	C5-W9 VanDerWaalsContact O-CB 3.25Å; C5-W9 WeakPolarHBondContact O-CB 3.39Å; C5-W9 PolarHBondContact O-N 3.49Å; C5-L28 HydrophobicContact CB-CB 4.11Å; C5-L28 HydrophobicContact CB-CD2 3.84Å; C5-L28 HydrophobicContact CB-CG 4.42Å; C5-L28 WeakPolarHBondContact O-CD1 3.49Å; C5-I31 WeakPolarHBondContact SG-CG2 3.32Å
6	V	46.7	Very low	46.8	Very low	57 Å²	57	68.1 Å²	68.1	35%	0.345	33%	0.333	S	S	.	.	H	α-helix	trans	-68.2	-38.4	177.3	173.4	0	0	0	0	111.8	P2 C3 F4 W9 R10	P2-V6 WeakPolarHBondContact O-CB 3.23Å; P2-V6 WeakPolarHBondContact O-CG2 3.29Å; P2-V6 PolarHBondContact O-N 3.13Å; C3-V6 PolarHBondContact O-N 3.28Å; F4-V6 VanDerWaalsContact C-N 3.32Å; F4-V6 PolarHBondContact O-N 3.15Å; V6-W9 PolarHBondContact O-N 3Å; V6-R10 HydrophobicContact CG1-CG 4.44Å; V6-R10 WeakPolarHBondContact O-CB 3.39Å; V6-R10 WeakPolarHBondContact O-CG 3.25Å; V6-R10 PolarHBondContact O-N 3.08Å
7	C	48.3	Very low	46.9	Very low	6 Å²	6	68.9 Å²	68.9	4%	0.041	34%	0.343	C	S	.	.	H	α-helix	trans	-67.3	-47.1	175.9	-72.2	0	0	0	0	110.6	C3 F4 W9 R10 C11	C3-C7 WeakPolarHBondContact O-CB 3.4Å; C3-C7 PolarHBondContact O-N 3.46Å; C3-C7 PolarHBondContact O-SG 2.97Å; F4-C7 PolarHBondContact O-N 2.68Å; C7-W9 VanDerWaalsContact C-N 3.31Å; C7-W9 PolarHBondContact O-N 2.59Å; C7-R10 PolarHBondContact O-N 2.75Å; C7-R10 VanDerWaalsContact O-N 3.14Å; C7-C11 WeakPolarHBondContact O-CB 3.26Å; C7-C11 PolarHBondContact O-N 3.13Å; C7-C11 PolarHBondContact O-SG 3.3Å
8	F	49	Very low	47	Very low	42 Å²	42	74.8 Å²	74.8	18%	0.184	37%	0.369	C	S	.	.	H	α-helix	trans	-56.7	-47.7	173.7	-165.4	-82.4	0	0	0	110.2	F4 R10 F12 L24 L28 W148	F4-F8 HydrophobicContact CE1-CD2 4.34Å; F4-F8 HydrophobicContact CZ-CD2 4.37Å; F4-F8 VanDerWaalsContact O-CB 3.28Å; F4-F8 WeakPolarHBondContact O-CB 3.26Å; F4-F8 PolarHBondContact O-N 3.34Å; F8-R10 PolarHBondContact O-N 2.8Å; F8-F12 AromaticContact CD1-CD2 3.94Å; F8-F12 HydrophobicContact CD1-CD2 3.94Å; F8-F12 HydrophobicContact CD2-CD2 4.04Å; F8-F12 AromaticContact CD2-CE2 3.91Å; F8-F12 HydrophobicContact CD2-CE2 3.91Å; F8-F12 AromaticContact CE1-CD2 3.92Å; F8-F12 HydrophobicContact CE1-CD2 3.92Å; F8-F12 HydrophobicContact CE2-CD2 4.06Å; F8-F12 AromaticContact CE2-CE2 3.85Å; F8-F12 HydrophobicContact CE2-CE2 3.85Å; F8-F12 AromaticContact CG-CD2 3.99Å; F8-F12 HydrophobicContact CG-CD2 3.99Å; F8-F12 HydrophobicContact CG-CE2 4.31Å; F8-F12 HydrophobicContact CZ-CD2 4Å; F8-F12 HydrophobicContact CZ-CE2 4.18Å; F8-F12 WeakPolarHBondContact O-CB 3.46Å; F8-F12 WeakPolarHBondContact O-CD2 3.33Å; F8-F12 PolarHBondContact O-N 3.18Å; F8-F12 VanDerWaalsContact O-N 3.13Å; F8-L24 HydrophobicContact CD1-CD1 3.77Å; F8-L24 HydrophobicContact CD1-CD2 3.74Å; F8-L24 HydrophobicContact CD1-CG 4.2Å; F8-L24 HydrophobicContact CE1-CD1 3.34Å; F8-L24 HydrophobicContact CE1-CD2 3.51Å; F8-L24 HydrophobicContact CE1-CG 4Å; F8-L24 HydrophobicContact CZ-CD1 4.37Å; F8-L28 HydrophobicContact CB-CD2 4.42Å; F8-L28 HydrophobicContact CD1-CD1 4.2Å; F8-L28 HydrophobicContact CD1-CD2 4.24Å; F8-W148 HydrophobicContact CE2-CZ2 4.18Å; F8-W148 AromaticContact CE2-NE1 3.87Å; F8-W148 HydrophobicContact CZ-CZ2 4.42Å; F8-W148 AromaticContact CZ-NE1 3.52Å
9	W	52.8	Low	46.6	Very low	69 Å²	69	77.7 Å²	77.7	26%	0.261	38%	0.38	S	S	.	.	H	α-helix	trans	-58.2	-47.2	174	-176.5	-111.6	0	0	0	112.4	C5 V6 C7 F12 K13 A21 L24 K25 L28	C5-W9 VanDerWaalsContact O-CB 3.25Å; C5-W9 WeakPolarHBondContact O-CB 3.39Å; C5-W9 PolarHBondContact O-N 3.49Å; V6-W9 PolarHBondContact O-N 3Å; C7-W9 VanDerWaalsContact C-N 3.31Å; C7-W9 PolarHBondContact O-N 2.59Å; W9-F12 PolarHBondContact O-N 2.85Å; W9-K13 HydrophobicContact CD2-CB 4.03Å; W9-K13 HydrophobicContact CE3-CB 4.43Å; W9-K13 HydrophobicContact CG-CB 4.45Å; W9-K13 HydrophobicContact CH2-CB 4.45Å; W9-K13 HydrophobicContact CZ2-CB 4.05Å; W9-K13 WeakPolarHBondContact O-CA 3.49Å; W9-K13 WeakPolarHBondContact O-CB 3.28Å; W9-K13 VanDerWaalsContact O-CG 3.27Å; W9-K13 WeakPolarHBondContact O-CG 3.25Å; W9-K13 PolarHBondContact O-N 3.28Å; W9-A21 HydrophobicContact CH2-CB 3.88Å; W9-A21 WeakPolarHBondContact CH2-O 2.98Å; W9-A21 HydrophobicContact CZ3-CB 4.24Å; W9-A21 WeakPolarHBondContact CZ3-O 3.47Å; W9-L24 HydrophobicContact CE3-CD2 4.16Å; W9-L24 HydrophobicContact CE3-CG 4.38Å; W9-L24 HydrophobicContact CZ3-CB 4.41Å; W9-L24 HydrophobicContact CZ3-CD2 4.39Å; W9-L24 HydrophobicContact CZ3-CG 4.5Å; W9-K25 HydrophobicContact CE3-CB 4.37Å; W9-K25 HydrophobicContact CH2-CB 3.75Å; W9-K25 HydrophobicContact CH2-CD 4.07Å; W9-K25 HydrophobicContact CH2-CG 4.22Å; W9-K25 HydrophobicContact CZ2-CD 4.24Å; W9-K25 HydrophobicContact CZ3-CB 3.69Å; W9-K25 HydrophobicContact CZ3-CG 4.44Å; W9-L28 HydrophobicContact CB-CD1 3.81Å; W9-L28 HydrophobicContact CE3-CD1 4.04Å
10	R	51.5	Low	46.5	Very low	134 Å²	134	74.3 Å²	74.3	51%	0.506	36%	0.363	S	S	.	.	H	α-helix	trans	-66.4	-42.4	-177.7	-80.9	179.9	174.3	-177.7	3.2	112.7	V6 C7 F8 F12 E449	V6-R10 HydrophobicContact CG1-CG 4.44Å; V6-R10 WeakPolarHBondContact O-CB 3.39Å; V6-R10 WeakPolarHBondContact O-CG 3.25Å; V6-R10 PolarHBondContact O-N 3.08Å; C7-R10 PolarHBondContact O-N 2.75Å; C7-R10 VanDerWaalsContact O-N 3.14Å; F8-R10 PolarHBondContact O-N 2.8Å; R10-F12 VanDerWaalsContact C-N 3.29Å; R10-F12 PolarHBondContact O-N 2.9Å; R10-E449 WeakPolarHBondContact CD-OE1 3.37Å; R10-E449 IonicContact CZ-OE1 3.97Å; R10-E449 IonicContact CZ-OE2 3.33Å; R10-E449 IonicContact NE-OE1 2.86Å; R10-E449 IonicContact NH1-OE1 3.01Å; R10-E449 PolarHBondContact NH1-OE1 3.38Å; R10-E449 IonicContact NH1-OE2 2.69Å; R10-E449 PolarHBondContact NH1-OE2 3.39Å
11	C	48.4	Very low	46.6	Very low	45 Å²	45	71.4 Å²	71.4	30%	0.304	35%	0.351	S	S	.	.	H	α-helix	trans	-64.8	-34.9	178.6	-67.7	0	0	0	0	112	C7	C7-C11 WeakPolarHBondContact O-CB 3.26Å; C7-C11 PolarHBondContact O-N 3.13Å; C7-C11 PolarHBondContact O-SG 3.3Å
12	F	47.5	Very low	47	Very low	23 Å²	23	70 Å²	70	10%	0.101	34%	0.343	C	S	.	.	H	α-helix	trans	-110.3	-21.4	-168.6	-63	-69.6	0	0	0	115.1	F8 W9 R10 N14 R15 L16 W148 L151	F8-F12 AromaticContact CD1-CD2 3.94Å; F8-F12 HydrophobicContact CD1-CD2 3.94Å; F8-F12 HydrophobicContact CD2-CD2 4.04Å; F8-F12 AromaticContact CD2-CE2 3.91Å; F8-F12 HydrophobicContact CD2-CE2 3.91Å; F8-F12 AromaticContact CE1-CD2 3.92Å; F8-F12 HydrophobicContact CE1-CD2 3.92Å; F8-F12 HydrophobicContact CE2-CD2 4.06Å; F8-F12 AromaticContact CE2-CE2 3.85Å; F8-F12 HydrophobicContact CE2-CE2 3.85Å; F8-F12 AromaticContact CG-CD2 3.99Å; F8-F12 HydrophobicContact CG-CD2 3.99Å; F8-F12 HydrophobicContact CG-CE2 4.31Å; F8-F12 HydrophobicContact CZ-CD2 4Å; F8-F12 HydrophobicContact CZ-CE2 4.18Å; F8-F12 WeakPolarHBondContact O-CB 3.46Å; F8-F12 WeakPolarHBondContact O-CD2 3.33Å; F8-F12 PolarHBondContact O-N 3.18Å; F8-F12 VanDerWaalsContact O-N 3.13Å; W9-F12 PolarHBondContact O-N 2.85Å; R10-F12 VanDerWaalsContact C-N 3.29Å; R10-F12 PolarHBondContact O-N 2.9Å; F12-N14 VanDerWaalsContact C-N 3.25Å; F12-N14 PolarHBondContact O-N 3.34Å; F12-N14 VanDerWaalsContact O-N 3.08Å; F12-R15 WeakPolarHBondContact O-CA 3.29Å; F12-R15 PolarHBondContact O-N 3.15Å; F12-L16 HydrophobicContact CB-CD1 4.07Å; F12-L16 HydrophobicContact CB-CG 4.4Å; F12-L16 VanDerWaalsContact O-CG 3.32Å; F12-L16 WeakPolarHBondContact O-CG 3.48Å; F12-L16 PolarHBondContact O-N 2.93Å; F12-W148 AromaticContact CZ-NE1 3.88Å; F12-L151 HydrophobicContact CD1-CD2 3.72Å; F12-L151 HydrophobicContact CE1-CD2 4.06Å
13	K	49.6	Very low	47.3	Very low	90 Å²	90	68.7 Å²	68.7	39%	0.391	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-54.9	-36.8	-173.2	66	174	-168.2	172.2	0	114.1	W9 R15	W9-K13 HydrophobicContact CD2-CB 4.03Å; W9-K13 HydrophobicContact CE3-CB 4.43Å; W9-K13 HydrophobicContact CG-CB 4.45Å; W9-K13 HydrophobicContact CH2-CB 4.45Å; W9-K13 HydrophobicContact CZ2-CB 4.05Å; W9-K13 WeakPolarHBondContact O-CA 3.49Å; W9-K13 WeakPolarHBondContact O-CB 3.28Å; W9-K13 VanDerWaalsContact O-CG 3.27Å; W9-K13 WeakPolarHBondContact O-CG 3.25Å; W9-K13 PolarHBondContact O-N 3.28Å; K13-R15 VanDerWaalsContact C-N 3.25Å; K13-R15 PolarHBondContact O-N 2.93Å
14	N	49.7	Very low	47.6	Very low	137 Å²	137	67 Å²	67	73%	0.733	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-83.3	-4.9	-177.9	-66.1	-15.5	0	0	0	112.5	F12	F12-N14 VanDerWaalsContact C-N 3.25Å; F12-N14 PolarHBondContact O-N 3.34Å; F12-N14 VanDerWaalsContact O-N 3.08Å
15	R	44.6	Very low	47.8	Very low	156 Å²	156	69.9 Å²	69.9	59%	0.589	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-114.6	3	-177.4	-59.8	-172.3	-177.6	-130.5	1.4	112.7	F12 K13 L151 C155	F12-R15 WeakPolarHBondContact O-CA 3.29Å; F12-R15 PolarHBondContact O-N 3.15Å; K13-R15 VanDerWaalsContact C-N 3.25Å; K13-R15 PolarHBondContact O-N 2.93Å; R15-L151 HydrophobicContact CB-CD1 4.24Å; R15-L151 HydrophobicContact CB-CD2 3.92Å; R15-C155 PolarHBondContact NH1-SG 3.48Å
16	L	43.8	Very low	47.9	Very low	31 Å²	31	75.7 Å²	75.7	16%	0.162	36%	0.355	C	S	.	.	S	Bend	trans	-105.7	145.6	179.9	-66.5	167.7	0	0	0	110.2	F12 N20 A21 L24	F12-L16 HydrophobicContact CB-CD1 4.07Å; F12-L16 HydrophobicContact CB-CG 4.4Å; F12-L16 VanDerWaalsContact O-CG 3.32Å; F12-L16 WeakPolarHBondContact O-CG 3.48Å; F12-L16 PolarHBondContact O-N 2.93Å; L16-N20 HydrophobicContact CB-CB 4.24Å; L16-N20 HydrophobicContact CD2-CB 4.17Å; L16-A21 HydrophobicContact CB-CB 4.14Å; L16-L24 HydrophobicContact CD1-CB 4.39Å; L16-L24 HydrophobicContact CD1-CD2 3.37Å
17	T	48.8	Very low	48	Very low	82 Å²	82	75 Å²	75	50%	0.503	35%	0.348	S	S	.	.			trans	-60.6	151.6	163.8	62.1	0	0	0	0	109.3	K19 N20 A21	T17-K19 PolarHBondContact O-N 3.04Å; T17-N20 PolarHBondContact O-N 3.3Å; T17-N20 WeakPolarHBondContact OG1-CB 3.4Å; T17-N20 PolarHBondContact OG1-N 3.24Å; T17-N20 PolarHBondContact OG1-ND2 3.31Å; T17-N20 VanDerWaalsContact OG1-ND2 3.15Å; T17-A21 PolarHBondContact O-N 2.85Å
18	E	48.3	Very low	48.1	Very low	175 Å²	175	75.5 Å²	75.5	82%	0.818	35%	0.351	S	S	*	.	H	α-helix	trans	-54.1	-40	-176.8	-169.8	174.1	-170	0	0	112.6	A21 E22	E18-A21 PolarHBondContact O-N 2.82Å; E18-E22 PolarHBondContact O-N 3.4Å
19	K	40.9	Very low	48.2	Very low	130 Å²	130	80.7 Å²	80.7	57%	0.565	37%	0.37	S	S	*	.	H	α-helix	trans	-60.5	-48	173.5	-176.5	-173.8	172.9	-162.8	0	112.2	T17 A21 E22 I23 E143	T17-K19 PolarHBondContact O-N 3.04Å; K19-A21 VanDerWaalsContact C-N 3.33Å; K19-E22 PolarHBondContact O-N 2.8Å; K19-I23 HydrophobicContact CG-CD1 4.35Å; K19-I23 WeakPolarHBondContact O-CG1 3.27Å; K19-I23 PolarHBondContact O-N 3.48Å; K19-E143 IonicContact NZ-OE2 3.02Å; K19-E143 PolarHBondContact NZ-OE2 2.86Å
20	N	45	Very low	48	Very low	8 Å²	8	85.3 Å²	85.3	4%	0.043	39%	0.389	C	S	.	.	H	α-helix	trans	-68.5	-34.7	-179.9	-71.3	-16	0	0	0	111.7	L16 T17 L24 G144 D147	L16-N20 HydrophobicContact CB-CB 4.24Å; L16-N20 HydrophobicContact CD2-CB 4.17Å; T17-N20 PolarHBondContact O-N 3.3Å; T17-N20 WeakPolarHBondContact OG1-CB 3.4Å; T17-N20 PolarHBondContact OG1-N 3.24Å; T17-N20 PolarHBondContact OG1-ND2 3.31Å; T17-N20 VanDerWaalsContact OG1-ND2 3.15Å; N20-L24 VanDerWaalsContact O-CB 3.3Å; N20-L24 WeakPolarHBondContact O-CB 3.49Å; N20-L24 PolarHBondContact O-N 3.35Å; N20-G144 WeakPolarHBondContact ND2-CA 3.11Å; N20-D147 PolarHBondContact ND2-OD2 3.24Å
21	A	47.8	Very low	47.9	Very low	14 Å²	14	81.1 Å²	81.1	12%	0.116	38%	0.376	C	S	.	.	H	α-helix	trans	-62.9	-46.9	174	0	0	0	0	0	111.1	W9 L16 T17 E18 K19 I23 L24 K25	W9-A21 HydrophobicContact CH2-CB 3.88Å; W9-A21 WeakPolarHBondContact CH2-O 2.98Å; W9-A21 HydrophobicContact CZ3-CB 4.24Å; W9-A21 WeakPolarHBondContact CZ3-O 3.47Å; L16-A21 HydrophobicContact CB-CB 4.14Å; T17-A21 PolarHBondContact O-N 2.85Å; E18-A21 PolarHBondContact O-N 2.82Å; K19-A21 VanDerWaalsContact C-N 3.33Å; A21-I23 PolarHBondContact O-N 2.8Å; A21-L24 PolarHBondContact O-N 2.81Å; A21-K25 VanDerWaalsContact O-CB 3.25Å; A21-K25 WeakPolarHBondContact O-CB 3.32Å; A21-K25 PolarHBondContact O-N 2.96Å
22	E	48.9	Very low	47.7	Very low	83 Å²	83	82 Å²	82	39%	0.388	38%	0.383	S	S	.	.	H	α-helix	trans	-64.3	-38	178.3	-90.1	-62.8	137.5	0	0	113.2	E18 K19 K25 K26	E18-E22 PolarHBondContact O-N 3.4Å; K19-E22 PolarHBondContact O-N 2.8Å; E22-K25 PolarHBondContact O-N 3.05Å; E22-K25 WeakPolarHBondContact OE1-CD 3.48Å; E22-K25 IonicContact OE1-NZ 3.72Å; E22-K25 PolarHBondContact OE1-NZ 2.77Å; E22-K26 WeakPolarHBondContact O-CG 3.38Å; E22-K26 PolarHBondContact O-N 3.14Å
23	I	45.2	Very low	47.7	Very low	53 Å²	53	84.3 Å²	84.3	27%	0.272	40%	0.402	S	S	.	.	H	α-helix	trans	-71.1	-41.9	177.7	-50.1	160.5	0	0	0	111	K19 A21 K25 K26 I27 M142	K19-I23 HydrophobicContact CG-CD1 4.35Å; K19-I23 WeakPolarHBondContact O-CG1 3.27Å; K19-I23 PolarHBondContact O-N 3.48Å; A21-I23 PolarHBondContact O-N 2.8Å; I23-K25 VanDerWaalsContact C-N 3.3Å; I23-K25 PolarHBondContact O-N 3.08Å; I23-K26 WeakPolarHBondContact O-CB 3.36Å; I23-K26 PolarHBondContact O-N 2.73Å; I23-I27 HydrophobicContact CG2-CD1 4.33Å; I23-I27 WeakPolarHBondContact O-CG1 3.3Å; I23-I27 PolarHBondContact O-N 3.33Å; I23-M142 HydrophobicContact CB-CE 3.43Å; I23-M142 VanDerWaalsContact CB-CE 3.43Å; I23-M142 HydrophobicContact CB-SD 4.35Å; I23-M142 HydrophobicContact CD1-CE 4.07Å; I23-M142 HydrophobicContact CG1-CE 4.35Å; I23-M142 HydrophobicContact CG2-CE 3.05Å; I23-M142 HydrophobicContact CG2-CG 4.36Å; I23-M142 HydrophobicContact CG2-SD 3.35Å; I23-M142 WeakPolarHBondContact CG2-SD 3.34Å
24	L	48.5	Very low	47.6	Very low	24 Å²	24	82.6 Å²	82.6	13%	0.126	40%	0.404	C	S	.	.	H	α-helix	trans	-60.5	-42.6	174.7	179	63.9	0	0	0	111	F8 W9 L16 N20 A21 K26 I27 L28	F8-L24 HydrophobicContact CD1-CD1 3.77Å; F8-L24 HydrophobicContact CD1-CD2 3.74Å; F8-L24 HydrophobicContact CD1-CG 4.2Å; F8-L24 HydrophobicContact CE1-CD1 3.34Å; F8-L24 HydrophobicContact CE1-CD2 3.51Å; F8-L24 HydrophobicContact CE1-CG 4Å; F8-L24 HydrophobicContact CZ-CD1 4.37Å; W9-L24 HydrophobicContact CE3-CD2 4.16Å; W9-L24 HydrophobicContact CE3-CG 4.38Å; W9-L24 HydrophobicContact CZ3-CB 4.41Å; W9-L24 HydrophobicContact CZ3-CD2 4.39Å; W9-L24 HydrophobicContact CZ3-CG 4.5Å; L16-L24 HydrophobicContact CD1-CB 4.39Å; L16-L24 HydrophobicContact CD1-CD2 3.37Å; N20-L24 VanDerWaalsContact O-CB 3.3Å; N20-L24 WeakPolarHBondContact O-CB 3.49Å; N20-L24 PolarHBondContact O-N 3.35Å; A21-L24 PolarHBondContact O-N 2.81Å; L24-K26 VanDerWaalsContact C-N 3.3Å; L24-K26 PolarHBondContact O-N 3.23Å; L24-I27 PolarHBondContact O-N 2.93Å; L24-L28 HydrophobicContact CD1-CD1 4.09Å; L24-L28 HydrophobicContact CD1-CD2 4.36Å; L24-L28 HydrophobicContact CD1-CG 3.93Å; L24-L28 HydrophobicContact CD2-CD1 4.28Å; L24-L28 HydrophobicContact CG-CD1 3.77Å; L24-L28 HydrophobicContact CG-CG 4.06Å; L24-L28 WeakPolarHBondContact O-CB 3.07Å; L24-L28 WeakPolarHBondContact O-CG 3.34Å; L24-L28 PolarHBondContact O-N 3.29Å
25	K	51	Low	47.2	Very low	100 Å²	100	82.7 Å²	82.7	44%	0.435	41%	0.405	S	S	.	.	H	α-helix	trans	-58.1	-41	175.2	-171.5	178.8	168.3	-167.2	0	111.9	W9 A21 E22 I23 Y29	W9-K25 HydrophobicContact CE3-CB 4.37Å; W9-K25 HydrophobicContact CH2-CB 3.75Å; W9-K25 HydrophobicContact CH2-CD 4.07Å; W9-K25 HydrophobicContact CH2-CG 4.22Å; W9-K25 HydrophobicContact CZ2-CD 4.24Å; W9-K25 HydrophobicContact CZ3-CB 3.69Å; W9-K25 HydrophobicContact CZ3-CG 4.44Å; A21-K25 VanDerWaalsContact O-CB 3.25Å; A21-K25 WeakPolarHBondContact O-CB 3.32Å; A21-K25 PolarHBondContact O-N 2.96Å; E22-K25 PolarHBondContact O-N 3.05Å; E22-K25 WeakPolarHBondContact OE1-CD 3.48Å; E22-K25 IonicContact OE1-NZ 3.72Å; E22-K25 PolarHBondContact OE1-NZ 2.77Å; I23-K25 VanDerWaalsContact C-N 3.3Å; I23-K25 PolarHBondContact O-N 3.08Å; K25-Y29 WeakPolarHBondContact O-CB 3.43Å; K25-Y29 PolarHBondContact O-N 3.45Å
26	K	50.1	Low	47.2	Very low	131 Å²	131	81.3 Å²	81.3	57%	0.57	41%	0.409	S	S	*	.	H	α-helix	trans	-65.2	-44.1	174.5	-73.5	176.2	-178	-179.9	0	112.3	E22 I23 L24 Y29 Y30	E22-K26 WeakPolarHBondContact O-CG 3.38Å; E22-K26 PolarHBondContact O-N 3.14Å; I23-K26 WeakPolarHBondContact O-CB 3.36Å; I23-K26 PolarHBondContact O-N 2.73Å; L24-K26 VanDerWaalsContact C-N 3.3Å; L24-K26 PolarHBondContact O-N 3.23Å; K26-Y29 PolarHBondContact O-N 2.88Å; K26-Y30 WeakPolarHBondContact O-CD2 3.42Å; K26-Y30 PolarHBondContact O-N 2.78Å
27	I	48.9	Very low	47.1	Very low	41 Å²	41	89 Å²	89	21%	0.21	44%	0.444	C	S	.	.	H	α-helix	trans	-60.7	-52.2	175.9	-70.4	169.6	0	0	0	109.9	I23 L24 Y29 Y30 I31 V139 M142	I23-I27 HydrophobicContact CG2-CD1 4.33Å; I23-I27 WeakPolarHBondContact O-CG1 3.3Å; I23-I27 PolarHBondContact O-N 3.33Å; L24-I27 PolarHBondContact O-N 2.93Å; I27-Y29 VanDerWaalsContact C-N 3.29Å; I27-Y29 PolarHBondContact O-N 3.02Å; I27-Y30 PolarHBondContact O-N 3.35Å; I27-I31 HydrophobicContact CG2-CD1 3.46Å; I27-I31 VanDerWaalsContact CG2-CD1 3.46Å; I27-I31 HydrophobicContact CG2-CG1 4.23Å; I27-I31 WeakPolarHBondContact O-CB 3.48Å; I27-I31 WeakPolarHBondContact O-CG1 3.31Å; I27-I31 PolarHBondContact O-N 3.18Å; I27-V139 HydrophobicContact CD1-CG2 4.27Å; I27-M142 HydrophobicContact CD1-CE 3.82Å; I27-M142 HydrophobicContact CD1-SD 3.61Å
28	L	50.3	Low	47	Very low	17 Å²	17	86.4 Å²	86.4	9%	0.089	43%	0.431	C	S	.	.	H	α-helix	trans	-61.7	-35.6	179.1	-67.6	178.8	0	0	0	112.6	C5 F8 W9 L24 S32	C5-L28 HydrophobicContact CB-CB 4.11Å; C5-L28 HydrophobicContact CB-CD2 3.84Å; C5-L28 HydrophobicContact CB-CG 4.42Å; C5-L28 WeakPolarHBondContact O-CD1 3.49Å; F8-L28 HydrophobicContact CB-CD2 4.42Å; F8-L28 HydrophobicContact CD1-CD1 4.2Å; F8-L28 HydrophobicContact CD1-CD2 4.24Å; W9-L28 HydrophobicContact CB-CD1 3.81Å; W9-L28 HydrophobicContact CE3-CD1 4.04Å; L24-L28 HydrophobicContact CD1-CD1 4.09Å; L24-L28 HydrophobicContact CD1-CD2 4.36Å; L24-L28 HydrophobicContact CD1-CG 3.93Å; L24-L28 HydrophobicContact CD2-CD1 4.28Å; L24-L28 HydrophobicContact CG-CD1 3.77Å; L24-L28 HydrophobicContact CG-CG 4.06Å; L24-L28 WeakPolarHBondContact O-CB 3.07Å; L24-L28 WeakPolarHBondContact O-CG 3.34Å; L24-L28 PolarHBondContact O-N 3.29Å; L28-S32 VanDerWaalsContact O-CB 3.24Å; L28-S32 WeakPolarHBondContact O-CB 3.24Å; L28-S32 PolarHBondContact O-N 3.05Å; L28-S32 PolarHBondContact O-OG 2.96Å
29	Y	51	Low	46.7	Very low	152 Å²	152	79.7 Å²	79.7	60%	0.596	40%	0.401	S	S	*	.	H	α-helix	trans	-64	-51.4	173.7	178.5	-95.6	0	0	0	111.1	K25 K26 I27 I31 S32 S33	K25-Y29 WeakPolarHBondContact O-CB 3.43Å; K25-Y29 PolarHBondContact O-N 3.45Å; K26-Y29 PolarHBondContact O-N 2.88Å; I27-Y29 VanDerWaalsContact C-N 3.29Å; I27-Y29 PolarHBondContact O-N 3.02Å; Y29-I31 VanDerWaalsContact C-N 3.28Å; Y29-I31 PolarHBondContact O-N 3.11Å; Y29-S32 WeakPolarHBondContact CA-OG 3.1Å; Y29-S32 PolarHBondContact O-N 3.19Å; Y29-S32 VanDerWaalsContact O-N 3.15Å; Y29-S32 PolarHBondContact O-OG 3.27Å; Y29-S33 WeakPolarHBondContact O-CB 3.32Å; Y29-S33 PolarHBondContact O-N 2.95Å; Y29-S33 PolarHBondContact O-OG 2.96Å
30	Y	47.9	Very low	46.7	Very low	166 Å²	166	81.5 Å²	81.5	65%	0.651	41%	0.411	S	S	*	.	H	α-helix	trans	-57.6	-43.3	175.7	-96.3	-76.7	0	0	0	111.8	K26 I27 S33 A34	K26-Y30 WeakPolarHBondContact O-CD2 3.42Å; K26-Y30 PolarHBondContact O-N 2.78Å; I27-Y30 PolarHBondContact O-N 3.35Å; Y30-S33 PolarHBondContact O-N 3.14Å; Y30-A34 PolarHBondContact O-N 3.37Å
31	I	49.2	Very low	46.8	Very low	45 Å²	45	87.1 Å²	87.1	23%	0.231	44%	0.437	C	S	.	.	H	α-helix	trans	-62.7	-44.8	176.1	-69.8	172.8	0	0	0	111.2	C5 I27 Y29 S33 A34 M42	C5-I31 WeakPolarHBondContact SG-CG2 3.32Å; I27-I31 HydrophobicContact CG2-CD1 3.46Å; I27-I31 VanDerWaalsContact CG2-CD1 3.46Å; I27-I31 HydrophobicContact CG2-CG1 4.23Å; I27-I31 WeakPolarHBondContact O-CB 3.48Å; I27-I31 WeakPolarHBondContact O-CG1 3.31Å; I27-I31 PolarHBondContact O-N 3.18Å; Y29-I31 VanDerWaalsContact C-N 3.28Å; Y29-I31 PolarHBondContact O-N 3.11Å; I31-S33 PolarHBondContact O-N 2.73Å; I31-A34 PolarHBondContact O-N 3.03Å; I31-M42 HydrophobicContact CG2-CE 4.28Å; I31-M42 HydrophobicContact CG2-CG 4.26Å; I31-M42 HydrophobicContact CG2-SD 3.1Å; I31-M42 WeakPolarHBondContact CG2-SD 3.23Å
32	S	44.9	Very low	46.9	Very low	64 Å²	64	87.7 Å²	87.7	45%	0.448	44%	0.438	S	S	.	.	H	α-helix	trans	-70.1	-15.9	179.5	69.8	0	0	0	0	114.1	L28 Y29	L28-S32 VanDerWaalsContact O-CB 3.24Å; L28-S32 WeakPolarHBondContact O-CB 3.24Å; L28-S32 PolarHBondContact O-N 3.05Å; L28-S32 PolarHBondContact O-OG 2.96Å; Y29-S32 WeakPolarHBondContact CA-OG 3.1Å; Y29-S32 PolarHBondContact O-N 3.19Å; Y29-S32 VanDerWaalsContact O-N 3.15Å; Y29-S32 PolarHBondContact O-OG 3.27Å
33	S	47.1	Very low	46.8	Very low	72 Å²	72	86.6 Å²	86.6	50%	0.503	44%	0.435	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-7	179.4	-49.9	0	0	0	0	112.8	Y29 Y30 I31	Y29-S33 WeakPolarHBondContact O-CB 3.32Å; Y29-S33 PolarHBondContact O-N 2.95Å; Y29-S33 PolarHBondContact O-OG 2.96Å; Y30-S33 PolarHBondContact O-N 3.14Å; I31-S33 PolarHBondContact O-N 2.73Å
34	A	47	Very low	47.2	Very low	53 Å²	53	87.5 Å²	87.5	44%	0.438	44%	0.435	S	S	.	.	S	Bend	trans	-78.3	129.7	177	0	0	0	0	0	110.3	Y30 I31 A38	Y30-A34 PolarHBondContact O-N 3.37Å; I31-A34 PolarHBondContact O-N 3.03Å; A34-A38 HydrophobicContact CB-CB 4Å
35	D	42.3	Very low	47.3	Very low	140 Å²	140	89.2 Å²	89.2	75%	0.749	45%	0.447	S	S	*	.			trans	-57.1	154.5	-177.6	-103.4	-37.4	0	0	0	113.3	Q37 A38	D35-Q37 PolarHBondContact O-N 2.96Å; D35-A38 WeakPolarHBondContact O-CB 3.4Å; D35-A38 PolarHBondContact O-N 3.26Å
36	N	44.8	Very low	47.5	Very low	126 Å²	126	86.5 Å²	86.5	67%	0.674	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-53.9	-17.8	-169.6	-81.6	-41.1	0	0	0	116.3	A38 N39	N36-A38 VanDerWaalsContact C-N 3.3Å; N36-N39 PolarHBondContact O-ND2 2.79Å
37	Q	42.2	Very low	47.7	Very low	192 Å²	192	83 Å²	83	90%	0.897	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-73.5	-15.5	174	-100.7	175.2	-25.1	0	0	113.7	D35 N39	D35-Q37 PolarHBondContact O-N 2.96Å; Q37-N39 VanDerWaalsContact C-N 3.34Å; Q37-N39 PolarHBondContact O-N 3.22Å
38	A	45.5	Very low	48.1	Very low	29 Å²	29	82.6 Å²	82.6	24%	0.24	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-82.2	-2.7	178.4	0	0	0	0	0	114.5	A34 D35 N36 E40 Q41 M42	A34-A38 HydrophobicContact CB-CB 4Å; D35-A38 WeakPolarHBondContact O-CB 3.4Å; D35-A38 PolarHBondContact O-N 3.26Å; N36-A38 VanDerWaalsContact C-N 3.3Å; A38-E40 PolarHBondContact O-N 2.93Å; A38-Q41 PolarHBondContact O-N 3.5Å; A38-M42 VanDerWaalsContact O-CB 3.27Å; A38-M42 WeakPolarHBondContact O-CB 3.31Å; A38-M42 PolarHBondContact O-N 3.17Å
39	N	42.7	Very low	48.2	Very low	34 Å²	34	84.4 Å²	84.4	18%	0.182	43%	0.428	C	S	.	.	H	α-helix	trans	-68.1	-36.2	-172	-76.9	-48.5	0	0	0	114.1	M1 N36 Q37 M42 N43	M1-N39 HydrophobicContact CE-CB 4.4Å; M1-N39 HydrophobicContact SD-CB 3.86Å; M1-N39 PolarHBondContact SD-OD1 2.97Å; N36-N39 PolarHBondContact O-ND2 2.79Å; Q37-N39 VanDerWaalsContact C-N 3.34Å; Q37-N39 PolarHBondContact O-N 3.22Å; N39-M42 PolarHBondContact O-N 3.09Å; N39-N43 PolarHBondContact O-N 3.37Å; N39-N43 VanDerWaalsContact O-N 3.09Å
40	E	41.3	Very low	48.5	Very low	168 Å²	168	78 Å²	78	79%	0.785	40%	0.403	S	S	*	.	H	α-helix	trans	-70	-44.1	175.7	-75.9	-179.5	179	0	0	111.5	A38 M42 N43 Y44	A38-E40 PolarHBondContact O-N 2.93Å; E40-M42 PolarHBondContact O-N 3Å; E40-N43 PolarHBondContact O-N 3.16Å; E40-Y44 WeakPolarHBondContact O-CB 3.42Å; E40-Y44 PolarHBondContact O-N 3.31Å
41	Q	45.9	Very low	48.8	Very low	125 Å²	125	72.6 Å²	72.6	58%	0.584	39%	0.385	S	S	*	.	H	α-helix	trans	-61	-35.4	174.9	-67.5	-177.5	-8	0	0	111.5	A38 Y44 V45	A38-Q41 PolarHBondContact O-N 3.5Å; Q41-Y44 WeakPolarHBondContact O-CB 3.49Å; Q41-Y44 PolarHBondContact O-N 3.16Å; Q41-V45 VanDerWaalsContact O-CG2 3.3Å; Q41-V45 WeakPolarHBondContact O-CG2 3.28Å; Q41-V45 PolarHBondContact O-N 3.33Å
42	M	49.6	Very low	48.8	Very low	27 Å²	27	70.8 Å²	70.8	13%	0.133	38%	0.376	C	S	.	.	H	α-helix	trans	-70.4	-43.7	178.7	-170.7	171.2	84.5	0	0	112.7	M1 I31 A38 N39 E40 Y44 V45 I46	M1-M42 HydrophobicContact CE-CE 4.38Å; I31-M42 HydrophobicContact CG2-CE 4.28Å; I31-M42 HydrophobicContact CG2-CG 4.26Å; I31-M42 HydrophobicContact CG2-SD 3.1Å; I31-M42 WeakPolarHBondContact CG2-SD 3.23Å; A38-M42 VanDerWaalsContact O-CB 3.27Å; A38-M42 WeakPolarHBondContact O-CB 3.31Å; A38-M42 PolarHBondContact O-N 3.17Å; N39-M42 PolarHBondContact O-N 3.09Å; E40-M42 PolarHBondContact O-N 3Å; M42-Y44 VanDerWaalsContact C-N 3.26Å; M42-Y44 PolarHBondContact O-N 2.87Å; M42-V45 PolarHBondContact O-N 3.01Å; M42-I46 HydrophobicContact CG-CD1 4.06Å; M42-I46 WeakPolarHBondContact O-CD1 3.49Å; M42-I46 VanDerWaalsContact O-CG1 3.31Å; M42-I46 WeakPolarHBondContact O-CG1 3.44Å; M42-I46 PolarHBondContact O-N 3.11Å
43	N	47.8	Very low	48.8	Very low	60 Å²	60	69.4 Å²	69.4	32%	0.321	36%	0.364	S	S	.	.	H	α-helix	trans	-60.8	-40.3	172.2	-76.7	-19.4	0	0	0	110.9	N39 E40 I46 Q47	N39-N43 PolarHBondContact O-N 3.37Å; N39-N43 VanDerWaalsContact O-N 3.09Å; E40-N43 PolarHBondContact O-N 3.16Å; N43-I46 PolarHBondContact O-N 3.11Å; N43-Q47 VanDerWaalsContact O-CB 3.27Å; N43-Q47 WeakPolarHBondContact O-CB 3.33Å; N43-Q47 VanDerWaalsContact O-CG 3.26Å; N43-Q47 WeakPolarHBondContact O-CG 3.28Å; N43-Q47 PolarHBondContact O-N 3.05Å
44	Y	52.4	Low	49	Very low	71 Å²	71	66.6 Å²	66.6	28%	0.278	34%	0.344	S	S	.	.	H	α-helix	trans	-61.7	-47	174.5	-174.5	-99.8	0	0	0	112.1	E40 Q41 M42 I46 Q47 E48 T70	E40-Y44 WeakPolarHBondContact O-CB 3.42Å; E40-Y44 PolarHBondContact O-N 3.31Å; Q41-Y44 WeakPolarHBondContact O-CB 3.49Å; Q41-Y44 PolarHBondContact O-N 3.16Å; M42-Y44 VanDerWaalsContact C-N 3.26Å; M42-Y44 PolarHBondContact O-N 2.87Å; Y44-I46 PolarHBondContact O-N 3.49Å; Y44-Q47 WeakPolarHBondContact O-CB 3.23Å; Y44-Q47 PolarHBondContact O-N 2.92Å; Y44-E48 HydrophobicContact CD1-CG 4.06Å; Y44-E48 HydrophobicContact CE1-CG 3.73Å; Y44-E48 HydrophobicContact CE2-CG 4.31Å; Y44-E48 HydrophobicContact CG-CG 4.49Å; Y44-E48 WeakPolarHBondContact O-CB 3.35Å; Y44-E48 VanDerWaalsContact O-CG 3.3Å; Y44-E48 WeakPolarHBondContact O-CG 3.37Å; Y44-E48 PolarHBondContact O-N 2.73Å; Y44-T70 HydrophobicContact CE1-CG2 4.29Å; Y44-T70 WeakPolarHBondContact OH-CG2 3.28Å
45	V	51.6	Low	49	Very low	60 Å²	60	66.4 Å²	66.4	36%	0.364	34%	0.339	S	S	.	.	H	α-helix	trans	-62.9	-41.9	177.4	170.2	0	0	0	0	111.5	Q41 M42 E48 I49	Q41-V45 VanDerWaalsContact O-CG2 3.3Å; Q41-V45 WeakPolarHBondContact O-CG2 3.28Å; Q41-V45 PolarHBondContact O-N 3.33Å; M42-V45 PolarHBondContact O-N 3.01Å; V45-E48 PolarHBondContact O-N 2.95Å; V45-I49 HydrophobicContact CG1-CD1 3.77Å; V45-I49 HydrophobicContact CG1-CG1 4.41Å; V45-I49 WeakPolarHBondContact O-CB 3.15Å; V45-I49 WeakPolarHBondContact O-CG1 3.5Å; V45-I49 PolarHBondContact O-N 2.67Å
46	I	54.5	Low	49.3	Very low	43 Å²	43	66 Å²	66	22%	0.221	33%	0.333	C	S	.	.	H	α-helix	trans	-65.7	-43.5	176.7	-68.1	161.4	0	0	0	110.8	F4 M42 N43 Y44 I49 Y50	F4-I46 HydrophobicContact CD1-CD1 3.91Å; F4-I46 HydrophobicContact CE1-CD1 3.4Å; F4-I46 HydrophobicContact CE1-CG1 4.31Å; F4-I46 HydrophobicContact CZ-CD1 3.81Å; F4-I46 HydrophobicContact CZ-CG2 4.19Å; M42-I46 HydrophobicContact CG-CD1 4.06Å; M42-I46 WeakPolarHBondContact O-CD1 3.49Å; M42-I46 VanDerWaalsContact O-CG1 3.31Å; M42-I46 WeakPolarHBondContact O-CG1 3.44Å; M42-I46 PolarHBondContact O-N 3.11Å; N43-I46 PolarHBondContact O-N 3.11Å; Y44-I46 PolarHBondContact O-N 3.49Å; I46-I49 PolarHBondContact O-N 3.47Å; I46-Y50 VanDerWaalsContact O-CB 3.26Å; I46-Y50 WeakPolarHBondContact O-CB 3.41Å; I46-Y50 PolarHBondContact O-N 3.48Å
47	Q	54.4	Low	49.2	Very low	57 Å²	57	63.1 Å²	63.1	27%	0.266	31%	0.313	S	S	.	.	H	α-helix	trans	-59	-48.4	173.6	-81.7	174.1	-7.6	0	0	110.5	N43 Y44 I49 Y50 M51 E191 P193	N43-Q47 VanDerWaalsContact O-CB 3.27Å; N43-Q47 WeakPolarHBondContact O-CB 3.33Å; N43-Q47 VanDerWaalsContact O-CG 3.26Å; N43-Q47 WeakPolarHBondContact O-CG 3.28Å; N43-Q47 PolarHBondContact O-N 3.05Å; Y44-Q47 WeakPolarHBondContact O-CB 3.23Å; Y44-Q47 PolarHBondContact O-N 2.92Å; Q47-I49 PolarHBondContact O-N 2.73Å; Q47-Y50 CarbonylContact O-C 3.54Å; Q47-Y50 WeakPolarHBondContact O-CA 3.44Å; Q47-Y50 WeakPolarHBondContact O-CB 3.35Å; Q47-Y50 PolarHBondContact O-N 2.98Å; Q47-Y50 VanDerWaalsContact O-N 3.12Å; Q47-M51 WeakPolarHBondContact O-CB 3.26Å; Q47-M51 WeakPolarHBondContact O-CG 3.39Å; Q47-M51 PolarHBondContact O-N 3.31Å; Q47-E191 PolarHBondContact NE2-O 2.93Å; Q47-P193 HydrophobicContact CG-CG 3.92Å
48	E	56.8	Low	49.1	Very low	34 Å²	34	61 Å²	61	16%	0.159	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-43.4	179.4	-76	-58.9	135	0	0	111.9	Y44 V45 Y50 M51 A52 L67 T70	Y44-E48 HydrophobicContact CD1-CG 4.06Å; Y44-E48 HydrophobicContact CE1-CG 3.73Å; Y44-E48 HydrophobicContact CE2-CG 4.31Å; Y44-E48 HydrophobicContact CG-CG 4.49Å; Y44-E48 WeakPolarHBondContact O-CB 3.35Å; Y44-E48 VanDerWaalsContact O-CG 3.3Å; Y44-E48 WeakPolarHBondContact O-CG 3.37Å; Y44-E48 PolarHBondContact O-N 2.73Å; V45-E48 PolarHBondContact O-N 2.95Å; E48-Y50 VanDerWaalsContact C-N 3.3Å; E48-Y50 PolarHBondContact O-N 2.82Å; E48-M51 PolarHBondContact O-N 3.39Å; E48-A52 WeakPolarHBondContact O-CB 3.18Å; E48-A52 PolarHBondContact O-N 3.33Å; E48-L67 HydrophobicContact CB-CD2 4.15Å; E48-T70 HydrophobicContact CG-CG2 3.83Å; E48-T70 WeakPolarHBondContact OE1-CG2 3.39Å; E48-T70 VanDerWaalsContact OE2-CB 3.22Å; E48-T70 WeakPolarHBondContact OE2-CB 3.28Å; E48-T70 WeakPolarHBondContact OE2-CG2 3.41Å; E48-T70 PolarHBondContact OE2-OG1 3.44Å
49	I	52.8	Low	49.1	Very low	54 Å²	54	62.7 Å²	62.7	28%	0.277	32%	0.319	S	S	.	.	H	α-helix	trans	-58.4	-46.2	172.6	-71.2	167.8	0	0	0	109.8	V45 I46 Q47 I53 L67	V45-I49 HydrophobicContact CG1-CD1 3.77Å; V45-I49 HydrophobicContact CG1-CG1 4.41Å; V45-I49 WeakPolarHBondContact O-CB 3.15Å; V45-I49 WeakPolarHBondContact O-CG1 3.5Å; V45-I49 PolarHBondContact O-N 2.67Å; I46-I49 PolarHBondContact O-N 3.47Å; Q47-I49 PolarHBondContact O-N 2.73Å; I49-I53 HydrophobicContact CG2-CD1 3.53Å; I49-I53 HydrophobicContact CG2-CG1 4.49Å; I49-I53 WeakPolarHBondContact O-CB 3.33Å; I49-I53 WeakPolarHBondContact O-CD1 3.37Å; I49-I53 WeakPolarHBondContact O-CG1 3.38Å; I49-I53 PolarHBondContact O-N 2.96Å; I49-L67 HydrophobicContact CG1-CD2 4.42Å
50	Y	57.1	Low	49	Very low	18 Å²	18	65.2 Å²	65.2	7%	0.071	34%	0.339	C	S	.	.	H	α-helix	trans	-63.3	-47	178.6	177.9	-109.3	0	0	0	113.3	I46 Q47 E48 I53 S54 P193 E197 H236 H443 L445	I46-Y50 VanDerWaalsContact O-CB 3.26Å; I46-Y50 WeakPolarHBondContact O-CB 3.41Å; I46-Y50 PolarHBondContact O-N 3.48Å; Q47-Y50 CarbonylContact O-C 3.54Å; Q47-Y50 WeakPolarHBondContact O-CA 3.44Å; Q47-Y50 WeakPolarHBondContact O-CB 3.35Å; Q47-Y50 PolarHBondContact O-N 2.98Å; Q47-Y50 VanDerWaalsContact O-N 3.12Å; E48-Y50 VanDerWaalsContact C-N 3.3Å; E48-Y50 PolarHBondContact O-N 2.82Å; Y50-I53 PolarHBondContact O-N 2.86Å; Y50-S54 WeakPolarHBondContact CE2-OG 3.34Å; Y50-S54 VanDerWaalsContact O-CB 3.26Å; Y50-S54 WeakPolarHBondContact O-CB 3.42Å; Y50-S54 PolarHBondContact O-N 2.97Å; Y50-S54 PolarHBondContact O-OG 3.07Å; Y50-P193 HydrophobicContact CD1-CB 4.32Å; Y50-P193 HydrophobicContact CE1-CB 4.3Å; Y50-E197 VanDerWaalsContact OH-CD 3.31Å; Y50-E197 PolarHBondContact OH-OE1 2.98Å; Y50-E197 PolarHBondContact OH-OE2 2.94Å; Y50-H236 AromaticContact CZ-CE1 3.74Å; Y50-H236 AromaticContact CZ-ND1 3.84Å; Y50-H236 PolarHBondContact OH-CE1 3.21Å; Y50-H236 PolarHBondContact OH-ND1 2.91Å; Y50-H443 PolarHBondContact OH-NE2 3.1Å; Y50-L445 HydrophobicContact CD1-CD1 4.02Å; Y50-L445 HydrophobicContact CD2-CD1 3.72Å; Y50-L445 HydrophobicContact CD2-CD2 4.44Å; Y50-L445 HydrophobicContact CD2-CG 4.43Å; Y50-L445 HydrophobicContact CE1-CD1 4.07Å; Y50-L445 HydrophobicContact CE2-CD1 3.8Å; Y50-L445 HydrophobicContact CE2-CG 4.42Å; Y50-L445 HydrophobicContact CG-CD1 3.81Å
51	M	55.2	Low	49.2	Very low	52 Å²	52	61.1 Å²	61.1	26%	0.256	33%	0.325	S	S	.	.	H	α-helix	trans	-61.9	-45.7	178.3	-72.2	-54.6	-69.1	0	0	110.7	Q47 E48 I53 S55 S233 L234 P235	Q47-M51 WeakPolarHBondContact O-CB 3.26Å; Q47-M51 WeakPolarHBondContact O-CG 3.39Å; Q47-M51 PolarHBondContact O-N 3.31Å; E48-M51 PolarHBondContact O-N 3.39Å; M51-I53 VanDerWaalsContact C-N 3.33Å; M51-S55 WeakPolarHBondContact O-CB 3.46Å; M51-S55 PolarHBondContact O-N 2.72Å; M51-S55 PolarHBondContact O-OG 2.96Å; M51-S233 VanDerWaalsContact CE-O 3.25Å; M51-S233 WeakPolarHBondContact CE-O 3.25Å; M51-L234 HydrophobicContact SD-CD2 4.05Å; M51-P235 HydrophobicContact CE-CG 3.67Å; M51-P235 WeakPolarHBondContact SD-CD 3.19Å; M51-P235 HydrophobicContact SD-CG 3.58Å; M51-P235 VanDerWaalsContact SD-CG 3.58Å
52	A	49.3	Very low	49.4	Very low	7 Å²	7	59 Å²	59	6%	0.058	32%	0.317	C	S	.	.	H	α-helix	trans	-64.5	-41.5	178.5	0	0	0	0	0	110.2	E48 S55 Y57 L63 L67	E48-A52 WeakPolarHBondContact O-CB 3.18Å; E48-A52 PolarHBondContact O-N 3.33Å; A52-S55 PolarHBondContact O-OG 2.92Å; A52-S55 VanDerWaalsContact O-OG 3.11Å; A52-Y57 WeakPolarHBondContact O-CD2 3.08Å; A52-Y57 WeakPolarHBondContact O-CE2 3.27Å; A52-L63 HydrophobicContact CB-CD1 3.32Å; A52-L63 HydrophobicContact CB-CG 4.37Å; A52-L63 WeakPolarHBondContact O-CD1 3.27Å; A52-L67 HydrophobicContact CB-CD1 4.38Å; A52-L67 HydrophobicContact CB-CD2 4.11Å; A52-L67 HydrophobicContact CB-CG 4.02Å
53	I	45.2	Very low	49.3	Very low	36 Å²	36	58.8 Å²	58.8	19%	0.185	32%	0.316	C	S	.	.	H	α-helix	trans	-73	-40.2	-179.4	-74.4	172.3	0	0	0	112.9	I49 Y50 M51 S55 L63 W148 L149	I49-I53 HydrophobicContact CG2-CD1 3.53Å; I49-I53 HydrophobicContact CG2-CG1 4.49Å; I49-I53 WeakPolarHBondContact O-CB 3.33Å; I49-I53 WeakPolarHBondContact O-CD1 3.37Å; I49-I53 WeakPolarHBondContact O-CG1 3.38Å; I49-I53 PolarHBondContact O-N 2.96Å; Y50-I53 PolarHBondContact O-N 2.86Å; M51-I53 VanDerWaalsContact C-N 3.33Å; I53-S55 VanDerWaalsContact C-N 3.27Å; I53-S55 PolarHBondContact O-N 2.79Å; I53-L63 HydrophobicContact CG1-CD1 4.44Å; I53-W148 HydrophobicContact CD1-CE3 4.12Å; I53-W148 HydrophobicContact CD1-CH2 4.38Å; I53-W148 HydrophobicContact CD1-CZ3 3.44Å; I53-W148 VanDerWaalsContact CD1-CZ3 3.44Å; I53-W148 HydrophobicContact CG2-CZ3 4.31Å; I53-L149 HydrophobicContact CB-CD2 4.19Å; I53-L149 HydrophobicContact CD1-CD2 4.11Å; I53-L149 HydrophobicContact CG1-CD2 4.04Å; I53-L149 HydrophobicContact CG2-CD2 3.22Å
54	S	49.6	Very low	49.2	Very low	13 Å²	13	57.6 Å²	57.6	9%	0.091	31%	0.31	C	S	.	.	H	α-helix	trans	-75.2	-17.4	-176.4	-57.1	0	0	0	0	113.3	Y50 E56 P235 R239	Y50-S54 WeakPolarHBondContact CE2-OG 3.34Å; Y50-S54 VanDerWaalsContact O-CB 3.26Å; Y50-S54 WeakPolarHBondContact O-CB 3.42Å; Y50-S54 PolarHBondContact O-N 2.97Å; Y50-S54 PolarHBondContact O-OG 3.07Å; S54-E56 PolarHBondContact O-N 3.07Å; S54-P235 VanDerWaalsContact CB-CB 3.48Å; S54-R239 PolarHBondContact O-NH2 3.02Å
55	S	47.5	Very low	49.3	Very low	48 Å²	48	59.1 Å²	59.1	34%	0.336	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	22.4	-179.5	48.4	0	0	0	0	114.8	M51 A52 I53 Y57	M51-S55 WeakPolarHBondContact O-CB 3.46Å; M51-S55 PolarHBondContact O-N 2.72Å; M51-S55 PolarHBondContact O-OG 2.96Å; A52-S55 PolarHBondContact O-OG 2.92Å; A52-S55 VanDerWaalsContact O-OG 3.11Å; I53-S55 VanDerWaalsContact C-N 3.27Å; I53-S55 PolarHBondContact O-N 2.79Å; S55-Y57 VanDerWaalsContact C-N 3.28Å; S55-Y57 PolarHBondContact O-N 2.85Å; S55-Y57 WeakPolarHBondContact OG-CE2 3.27Å
56	E	48.2	Very low	49.4	Very low	133 Å²	133	61.1 Å²	61.1	62%	0.621	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	44	173.2	-76	174	-140.7	0	0	113.5	S54 T58 R239	S54-E56 PolarHBondContact O-N 3.07Å; E56-T58 VanDerWaalsContact C-N 3.28Å; E56-T58 PolarHBondContact O-N 3.38Å; E56-R239 IonicContact OE1-CZ 3.26Å; E56-R239 IonicContact OE1-NE 3.92Å; E56-R239 PolarHBondContact OE1-NE 3.27Å; E56-R239 IonicContact OE1-NH2 3.4Å; E56-R239 PolarHBondContact OE1-NH2 3.14Å
57	Y	43.8	Very low	49.1	Very low	65 Å²	65	59.6 Å²	59.6	26%	0.255	32%	0.316	S	S	.	.			trans	-68.8	97.4	162.1	-61.6	-64.1	0	0	0	108.2	A52 S55 D59 I62 L63 K66	A52-Y57 WeakPolarHBondContact O-CD2 3.08Å; A52-Y57 WeakPolarHBondContact O-CE2 3.27Å; S55-Y57 VanDerWaalsContact C-N 3.28Å; S55-Y57 PolarHBondContact O-N 2.85Å; S55-Y57 WeakPolarHBondContact OG-CE2 3.27Å; Y57-D59 PolarHBondContact O-N 3.3Å; Y57-I62 HydrophobicContact CD1-CB 3.98Å; Y57-I62 HydrophobicContact CD1-CG2 3.34Å; Y57-I62 HydrophobicContact CE1-CG2 3.59Å; Y57-I62 HydrophobicContact CG-CG2 4.2Å; Y57-L63 HydrophobicContact CD2-CB 4.33Å; Y57-L63 HydrophobicContact CD2-CD1 3.7Å; Y57-L63 HydrophobicContact CG-CB 4.46Å; Y57-L63 HydrophobicContact CG-CD1 4.5Å; Y57-K66 HydrophobicContact CE1-CD 3.9Å; Y57-K66 HydrophobicContact CE2-CD 4.04Å; Y57-K66 VanDerWaalsContact CZ-CD 3.41Å; Y57-K66 WeakPolarHBondContact OH-CD 3.47Å; Y57-K66 WeakPolarHBondContact OH-CE 3.36Å; Y57-K66 PolarHBondContact OH-NZ 3.21Å
58	T	40.2	Very low	48.9	Very low	147 Å²	147	59.6 Å²	59.6	90%	0.902	32%	0.315	S	S	*	.	S	Bend	trans	-64.4	-16.2	168.6	49.1	0	0	0	0	111.9	E56	E56-T58 VanDerWaalsContact C-N 3.28Å; E56-T58 PolarHBondContact O-N 3.38Å
59	D	45.4	Very low	48.8	Very low	65 Å²	65	60.6 Å²	60.6	35%	0.348	33%	0.325	S	S	.	.			trans	-111.2	113	176.4	-172.5	-10.7	0	0	0	111.2	Y57 T61 I62 L63	Y57-D59 PolarHBondContact O-N 3.3Å; D59-T61 PolarHBondContact O-N 3.26Å; D59-T61 VanDerWaalsContact O-N 3.09Å; D59-T61 WeakPolarHBondContact OD1-CB 3.47Å; D59-T61 PolarHBondContact OD1-N 3.14Å; D59-T61 PolarHBondContact OD1-OG1 3.41Å; D59-I62 HydrophobicContact CB-CB 4.42Å; D59-I62 HydrophobicContact CB-CD1 3.87Å; D59-I62 HydrophobicContact CB-CG1 3.93Å; D59-I62 PolarHBondContact O-N 2.92Å; D59-I62 VanDerWaalsContact O-N 3.12Å; D59-L63 PolarHBondContact O-N 3.47Å
60	S	40.5	Very low	48.7	Very low	86 Å²	86	59.4 Å²	59.4	60%	0.601	32%	0.321	S	S	*	.	H	α-helix	trans	-55.2	-24.9	175	49.4	0	0	0	0	113.6	L64	S60-L64 WeakPolarHBondContact O-CB 3.34Å; S60-L64 PolarHBondContact O-N 3.42Å; S60-L64 VanDerWaalsContact O-N 3.09Å
61	T	45.3	Very low	48.4	Very low	83 Å²	83	60.3 Å²	60.3	51%	0.509	33%	0.326	S	S	.	.	H	α-helix	trans	-73.6	-39.8	-179.8	-30.3	0	0	0	0	111.1	D59 L64 E65	D59-T61 PolarHBondContact O-N 3.26Å; D59-T61 VanDerWaalsContact O-N 3.09Å; D59-T61 WeakPolarHBondContact OD1-CB 3.47Å; D59-T61 PolarHBondContact OD1-N 3.14Å; D59-T61 PolarHBondContact OD1-OG1 3.41Å; T61-L64 WeakPolarHBondContact O-CB 3.07Å; T61-L64 PolarHBondContact O-N 3.31Å; T61-E65 PolarHBondContact O-N 3.31Å
62	I	51.2	Low	48.1	Very low	79 Å²	79	62.4 Å²	62.4	41%	0.405	34%	0.337	S	S	.	.	H	α-helix	trans	-68.7	-41.1	176.8	-58.6	177.2	0	0	0	110.5	Y57 D59 L64 E65 K66	Y57-I62 HydrophobicContact CD1-CB 3.98Å; Y57-I62 HydrophobicContact CD1-CG2 3.34Å; Y57-I62 HydrophobicContact CE1-CG2 3.59Å; Y57-I62 HydrophobicContact CG-CG2 4.2Å; D59-I62 HydrophobicContact CB-CB 4.42Å; D59-I62 HydrophobicContact CB-CD1 3.87Å; D59-I62 HydrophobicContact CB-CG1 3.93Å; D59-I62 PolarHBondContact O-N 2.92Å; D59-I62 VanDerWaalsContact O-N 3.12Å; I62-L64 VanDerWaalsContact C-N 3.28Å; I62-L64 PolarHBondContact O-N 3.05Å; I62-E65 PolarHBondContact O-N 3.09Å; I62-K66 PolarHBondContact O-N 3.41Å
63	L	46.4	Very low	48.1	Very low	23 Å²	23	67.9 Å²	67.9	12%	0.12	36%	0.36	C	S	.	.	H	α-helix	trans	-55	-46.6	171.6	-174.7	79	0	0	0	110.8	A52 I53 Y57 D59 K66 L67	A52-L63 HydrophobicContact CB-CD1 3.32Å; A52-L63 HydrophobicContact CB-CG 4.37Å; A52-L63 WeakPolarHBondContact O-CD1 3.27Å; I53-L63 HydrophobicContact CG1-CD1 4.44Å; Y57-L63 HydrophobicContact CD2-CB 4.33Å; Y57-L63 HydrophobicContact CD2-CD1 3.7Å; Y57-L63 HydrophobicContact CG-CB 4.46Å; Y57-L63 HydrophobicContact CG-CD1 4.5Å; D59-L63 PolarHBondContact O-N 3.47Å; L63-K66 PolarHBondContact O-N 3.33Å; L63-L67 HydrophobicContact CG-CD1 4.05Å; L63-L67 WeakPolarHBondContact O-CB 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.45Å; L63-L67 PolarHBondContact O-N 3.04Å
64	L	46.5	Very low	48	Very low	35 Å²	35	67.7 Å²	67.7	18%	0.183	36%	0.362	C	S	.	.	H	α-helix	trans	-61.9	-47.7	179.3	-129.3	96.4	0	0	0	112	S60 T61 I62 L67 K68 L140	S60-L64 WeakPolarHBondContact O-CB 3.34Å; S60-L64 PolarHBondContact O-N 3.42Å; S60-L64 VanDerWaalsContact O-N 3.09Å; T61-L64 WeakPolarHBondContact O-CB 3.07Å; T61-L64 PolarHBondContact O-N 3.31Å; I62-L64 VanDerWaalsContact C-N 3.28Å; I62-L64 PolarHBondContact O-N 3.05Å; L64-L67 PolarHBondContact O-N 3.05Å; L64-K68 WeakPolarHBondContact O-CB 3.46Å; L64-K68 VanDerWaalsContact O-CG 3.23Å; L64-K68 WeakPolarHBondContact O-CG 3.2Å; L64-K68 PolarHBondContact O-N 3.04Å; L64-L140 HydrophobicContact CD1-CB 3.74Å; L64-L140 HydrophobicContact CD1-CD1 3.51Å; L64-L140 HydrophobicContact CD1-CG 4.16Å; L64-L140 HydrophobicContact CG-CD1 3.82Å
65	E	53.9	Low	47.5	Very low	103 Å²	103	71.8 Å²	71.8	48%	0.481	38%	0.378	S	S	.	.	H	α-helix	trans	-66.9	-36.4	-178.7	-72.9	-56	133.2	0	0	112.4	T61 I62 K68 S69	T61-E65 PolarHBondContact O-N 3.31Å; I62-E65 PolarHBondContact O-N 3.09Å; E65-K68 WeakPolarHBondContact O-CB 3.38Å; E65-K68 PolarHBondContact O-N 2.92Å; E65-K68 IonicContact OE1-NZ 2.8Å; E65-K68 PolarHBondContact OE1-NZ 3.07Å; E65-S69 WeakPolarHBondContact O-CB 3.14Å; E65-S69 PolarHBondContact O-N 3.37Å
66	K	52.9	Low	47.1	Very low	102 Å²	102	75.6 Å²	75.6	44%	0.443	39%	0.391	S	S	.	.	H	α-helix	trans	-71.5	-42.8	174.6	-78.7	-171.1	178	-168.9	0	112.7	Y57 I62 L63 K68 S69 T70	Y57-K66 HydrophobicContact CE1-CD 3.9Å; Y57-K66 HydrophobicContact CE2-CD 4.04Å; Y57-K66 VanDerWaalsContact CZ-CD 3.41Å; Y57-K66 WeakPolarHBondContact OH-CD 3.47Å; Y57-K66 WeakPolarHBondContact OH-CE 3.36Å; Y57-K66 PolarHBondContact OH-NZ 3.21Å; I62-K66 PolarHBondContact O-N 3.41Å; L63-K66 PolarHBondContact O-N 3.33Å; K66-K68 VanDerWaalsContact C-N 3.28Å; K66-K68 PolarHBondContact O-N 2.98Å; K66-S69 WeakPolarHBondContact O-CB 3.12Å; K66-S69 PolarHBondContact O-N 3.18Å; K66-S69 VanDerWaalsContact O-N 3.1Å; K66-T70 PolarHBondContact O-N 3.12Å; K66-T70 PolarHBondContact O-OG1 3.3Å; K66-T70 VanDerWaalsContact O-OG1 3.09Å
67	L	48.9	Very low	46.6	Very low	11 Å²	11	74.4 Å²	74.4	6%	0.058	39%	0.388	C	S	.	.	H	α-helix	trans	-58.8	-41.8	172.5	-80	165.6	0	0	0	111.2	E48 I49 A52 L63 L64 T70 I71 L140	E48-L67 HydrophobicContact CB-CD2 4.15Å; I49-L67 HydrophobicContact CG1-CD2 4.42Å; A52-L67 HydrophobicContact CB-CD1 4.38Å; A52-L67 HydrophobicContact CB-CD2 4.11Å; A52-L67 HydrophobicContact CB-CG 4.02Å; L63-L67 HydrophobicContact CG-CD1 4.05Å; L63-L67 WeakPolarHBondContact O-CB 3.31Å; L63-L67 WeakPolarHBondContact O-CG 3.45Å; L63-L67 PolarHBondContact O-N 3.04Å; L64-L67 PolarHBondContact O-N 3.05Å; L67-T70 PolarHBondContact O-N 3.47Å; L67-I71 WeakPolarHBondContact O-CB 3.35Å; L67-I71 WeakPolarHBondContact O-CD1 3.35Å; L67-I71 WeakPolarHBondContact O-CG1 3.5Å; L67-I71 PolarHBondContact O-N 3.45Å; L67-L140 HydrophobicContact CD1-CD1 4.32Å; L67-L140 HydrophobicContact CD1-CD2 3.94Å
68	K	49.8	Very low	46.2	Very low	58 Å²	58	75.3 Å²	75.3	25%	0.252	40%	0.403	S	S	.	.	H	α-helix	trans	-58	-49.7	171.8	-74.2	173.8	-168	175.5	0	111.3	L64 E65 K66 T70 I72	L64-K68 WeakPolarHBondContact O-CB 3.46Å; L64-K68 VanDerWaalsContact O-CG 3.23Å; L64-K68 WeakPolarHBondContact O-CG 3.2Å; L64-K68 PolarHBondContact O-N 3.04Å; E65-K68 WeakPolarHBondContact O-CB 3.38Å; E65-K68 PolarHBondContact O-N 2.92Å; E65-K68 IonicContact OE1-NZ 2.8Å; E65-K68 PolarHBondContact OE1-NZ 3.07Å; K66-K68 VanDerWaalsContact C-N 3.28Å; K66-K68 PolarHBondContact O-N 2.98Å; K68-T70 PolarHBondContact O-N 3.32Å; K68-I72 WeakPolarHBondContact O-CB 3.19Å; K68-I72 WeakPolarHBondContact O-CD1 3.46Å; K68-I72 WeakPolarHBondContact O-CG1 3.32Å; K68-I72 PolarHBondContact O-N 2.72Å
69	S	56.1	Low	46	Very low	54 Å²	54	75.1 Å²	75.1	38%	0.378	40%	0.396	S	S	.	.	H	α-helix	trans	-59.5	-46	179.8	177.3	0	0	0	0	112.2	E65 K66 I72 K73	E65-S69 WeakPolarHBondContact O-CB 3.14Å; E65-S69 PolarHBondContact O-N 3.37Å; K66-S69 WeakPolarHBondContact O-CB 3.12Å; K66-S69 PolarHBondContact O-N 3.18Å; K66-S69 VanDerWaalsContact O-N 3.1Å; S69-I72 PolarHBondContact O-N 2.88Å; S69-K73 WeakPolarHBondContact O-CG 3.5Å; S69-K73 PolarHBondContact O-N 2.91Å
70	T	50.9	Low	45.4	Very low	29 Å²	29	75.4 Å²	75.4	18%	0.178	40%	0.403	C	S	.	.	H	α-helix	trans	-71.7	-40.7	-176.5	-47.4	0	0	0	0	112	Y44 E48 K66 L67 K68 I72 K73 S74	Y44-T70 HydrophobicContact CE1-CG2 4.29Å; Y44-T70 WeakPolarHBondContact OH-CG2 3.28Å; E48-T70 HydrophobicContact CG-CG2 3.83Å; E48-T70 WeakPolarHBondContact OE1-CG2 3.39Å; E48-T70 VanDerWaalsContact OE2-CB 3.22Å; E48-T70 WeakPolarHBondContact OE2-CB 3.28Å; E48-T70 WeakPolarHBondContact OE2-CG2 3.41Å; E48-T70 PolarHBondContact OE2-OG1 3.44Å; K66-T70 PolarHBondContact O-N 3.12Å; K66-T70 PolarHBondContact O-OG1 3.3Å; K66-T70 VanDerWaalsContact O-OG1 3.09Å; L67-T70 PolarHBondContact O-N 3.47Å; K68-T70 PolarHBondContact O-N 3.32Å; T70-I72 VanDerWaalsContact C-N 3.26Å; T70-I72 PolarHBondContact O-N 2.92Å; T70-K73 PolarHBondContact O-N 3.41Å; T70-K73 VanDerWaalsContact O-N 3.13Å; T70-S74 PolarHBondContact O-N 3.26Å
71	I	49	Very low	45	Very low	38 Å²	38	74.7 Å²	74.7	20%	0.195	40%	0.398	C	S	.	.	H	α-helix	trans	-63.9	-33.2	174	-65.5	167.5	0	0	0	110.9	L67 S74 K75 L136	L67-I71 WeakPolarHBondContact O-CB 3.35Å; L67-I71 WeakPolarHBondContact O-CD1 3.35Å; L67-I71 WeakPolarHBondContact O-CG1 3.5Å; L67-I71 PolarHBondContact O-N 3.45Å; I71-S74 PolarHBondContact O-OG 3.23Å; I71-K75 WeakPolarHBondContact O-CG 3.33Å; I71-K75 PolarHBondContact O-N 2.89Å; I71-L136 HydrophobicContact CD1-CD1 4.09Å; I71-L136 HydrophobicContact CD1-CD2 4.21Å
72	I	48.7	Very low	44.3	Very low	95 Å²	95	79.4 Å²	79.4	49%	0.487	41%	0.414	S	S	.	.	H	α-helix	trans	-72.4	-36.7	173.6	-68.8	164.5	0	0	0	111.4	K68 S69 T70 K75 Q76	K68-I72 WeakPolarHBondContact O-CB 3.19Å; K68-I72 WeakPolarHBondContact O-CD1 3.46Å; K68-I72 WeakPolarHBondContact O-CG1 3.32Å; K68-I72 PolarHBondContact O-N 2.72Å; S69-I72 PolarHBondContact O-N 2.88Å; T70-I72 VanDerWaalsContact C-N 3.26Å; T70-I72 PolarHBondContact O-N 2.92Å; I72-K75 WeakPolarHBondContact O-CB 3.35Å; I72-K75 PolarHBondContact O-N 2.86Å; I72-Q76 PolarHBondContact O-N 2.77Å
73	K	50.4	Low	43.2	Very low	123 Å²	123	82.8 Å²	82.8	54%	0.535	43%	0.433	S	S	.	.	H	α-helix	trans	-68.2	-37.5	176.8	-78.2	179.5	179.6	180	0	112.5	S69 T70 K75 Q76 L77	S69-K73 WeakPolarHBondContact O-CG 3.5Å; S69-K73 PolarHBondContact O-N 2.91Å; T70-K73 PolarHBondContact O-N 3.41Å; T70-K73 VanDerWaalsContact O-N 3.13Å; K73-K75 VanDerWaalsContact C-N 3.27Å; K73-K75 PolarHBondContact O-N 3.39Å; K73-Q76 PolarHBondContact O-N 3.23Å; K73-Q76 VanDerWaalsContact O-N 3.09Å; K73-L77 PolarHBondContact O-N 3.41Å
74	S	42.3	Very low	42.2	Very low	31 Å²	31	88.3 Å²	88.3	22%	0.217	46%	0.461	C	S	.	.	H	α-helix	trans	-64.3	-33.5	173.5	65.9	0	0	0	0	112	T70 I71 Q76 L77 C78	T70-S74 PolarHBondContact O-N 3.26Å; I71-S74 PolarHBondContact O-OG 3.23Å; S74-Q76 VanDerWaalsContact C-N 3.3Å; S74-Q76 PolarHBondContact O-N 2.98Å; S74-L77 PolarHBondContact O-N 2.81Å; S74-C78 PolarHBondContact O-N 3.23Å
75	K	39.2	Very low	41.2	Very low	99 Å²	99	95.5 Å²	95.5	43%	0.43	49%	0.491	S	S	.	.	H	α-helix	trans	-60.7	-35.1	170.1	-69.5	176.8	179.1	-157.8	0	113.2	I71 I72 K73 N79	I71-K75 WeakPolarHBondContact O-CG 3.33Å; I71-K75 PolarHBondContact O-N 2.89Å; I72-K75 WeakPolarHBondContact O-CB 3.35Å; I72-K75 PolarHBondContact O-N 2.86Å; K73-K75 VanDerWaalsContact C-N 3.27Å; K73-K75 PolarHBondContact O-N 3.39Å; K75-N79 VanDerWaalsContact O-CG 3.26Å; K75-N79 PolarHBondContact O-N 2.88Å; K75-N79 PolarHBondContact O-ND2 3.05Å
76	Q	40.4	Very low	39.9	Very low	129 Å²	129	97.2 Å²	97.2	60%	0.603	50%	0.502	S	S	*	.	H	α-helix	trans	-77.4	-37.6	178.7	-70.7	-178.8	-17.7	0	0	112.3	I72 K73 S74 N79 S80	I72-Q76 PolarHBondContact O-N 2.77Å; K73-Q76 PolarHBondContact O-N 3.23Å; K73-Q76 VanDerWaalsContact O-N 3.09Å; S74-Q76 VanDerWaalsContact C-N 3.3Å; S74-Q76 PolarHBondContact O-N 2.98Å; Q76-N79 PolarHBondContact O-N 2.96Å; Q76-S80 PolarHBondContact O-N 2.82Å; Q76-S80 PolarHBondContact O-OG 2.76Å
77	L	36.5	Very low	38.6	Very low	107 Å²	107	99.1 Å²	99.1	56%	0.56	52%	0.517	S	S	*	.	H	α-helix	trans	-67.7	-38.8	176.9	-80.8	154.4	0	0	0	112.4	K73 S74 N79 S80 S81	K73-L77 PolarHBondContact O-N 3.41Å; S74-L77 PolarHBondContact O-N 2.81Å; L77-N79 VanDerWaalsContact C-N 3.33Å; L77-N79 PolarHBondContact O-N 3.49Å; L77-S80 PolarHBondContact O-N 3.23Å; L77-S80 PolarHBondContact O-OG 2.79Å; L77-S81 WeakPolarHBondContact O-CB 3.32Å; L77-S81 PolarHBondContact O-N 3.38Å; L77-S81 PolarHBondContact O-OG 2.7Å
78	C	36.5	Very low	37.6	Very low	85 Å²	85	105.7 Å²	105.7	57%	0.574	55%	0.553	S	S	*	*	H	α-helix	trans	-68.4	-29.9	174.1	-75.7	0	0	0	0	113.1	S74	S74-C78 PolarHBondContact O-N 3.23Å
79	N	34.9	Very low	36.5	Very low	143 Å²	143	111.6 Å²	111.6	77%	0.765	58%	0.581	S	S	*	*	H	α-helix	trans	-82.7	-17.3	177.2	-71.3	-12.9	0	0	0	113.7	K75 Q76 L77	K75-N79 VanDerWaalsContact O-CG 3.26Å; K75-N79 PolarHBondContact O-N 2.88Å; K75-N79 PolarHBondContact O-ND2 3.05Å; Q76-N79 PolarHBondContact O-N 2.96Å; L77-N79 VanDerWaalsContact C-N 3.33Å; L77-N79 PolarHBondContact O-N 3.49Å
80	S	34	Very low	35.5	Very low	71 Å²	71	119.5 Å²	119.5	50%	0.497	60%	0.604	S	S	.	*	H	α-helix	trans	-97	-3.7	175.7	63.9	0	0	0	0	114.1	Q76 L77 H82	Q76-S80 PolarHBondContact O-N 2.82Å; Q76-S80 PolarHBondContact O-OG 2.76Å; L77-S80 PolarHBondContact O-N 3.23Å; L77-S80 PolarHBondContact O-OG 2.79Å; S80-H82 VanDerWaalsContact C-N 3.28Å; S80-H82 PolarHBondContact O-N 2.82Å
81	S	31.7	Very low	34.5	Very low	71 Å²	71	122.5 Å²	122.5	50%	0.497	63%	0.626	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87	16.9	-173.8	-64.4	0	0	0	0	114.6	L77	L77-S81 WeakPolarHBondContact O-CB 3.32Å; L77-S81 PolarHBondContact O-N 3.38Å; L77-S81 PolarHBondContact O-OG 2.7Å
82	H	31.2	Very low	33.7	Very low	181 Å²	181	127.5 Å²	127.5	84%	0.838	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.8	10	172.7	-85.2	-8	0	0	0	115.2	S80	S80-H82 VanDerWaalsContact C-N 3.28Å; S80-H82 PolarHBondContact O-N 2.82Å
83	D	26.8	Very low	32.9	Very low	151 Å²	151	128.6 Å²	128.6	81%	0.807	66%	0.664	S	S	*	*			trans	-134.3	26.4	-177.8	-85.1	-40.8	0	0	0	116	K85	D83-K85 PolarHBondContact O-N 2.8Å
84	I	25.7	Very low	32.3	Very low	138 Å²	138	130 Å²	130	71%	0.708	68%	0.676	S	S	*	*			trans	-91.6	87.8	171.1	-55.2	179.2	0	0	0	109.8	I86	I84-I86 HydrophobicContact CG2-CG1 4.37Å; I84-I86 PolarHBondContact O-N 3.29Å
85	K	24.6	Very low	32	Very low	186 Å²	186	138.4 Å²	138.4	81%	0.809	71%	0.709	S	S	*	*			trans	-67.8	105.2	162.8	-80	178.8	178.5	172.7	0	109.1	D83 N87	D83-K85 PolarHBondContact O-N 2.8Å; K85-N87 PolarHBondContact O-N 3.48Å; K85-N87 VanDerWaalsContact O-N 3.15Å
86	I	27.7	Very low	31.8	Very low	139 Å²	139	137.1 Å²	137.1	71%	0.713	72%	0.724	S	S	*	*			trans	-73.4	100.2	164.8	-59.5	175.5	0	0	0	107	I84 N88	I84-I86 HydrophobicContact CG2-CG1 4.37Å; I84-I86 PolarHBondContact O-N 3.29Å; I86-N88 PolarHBondContact O-N 3.16Å
87	N	25.1	Very low	31.7	Very low	143 Å²	143	138.4 Å²	138.4	77%	0.765	73%	0.73	S	S	*	*			trans	-71.5	101	168.2	-80.8	-16.3	0	0	0	108.8	K85	K85-N87 PolarHBondContact O-N 3.48Å; K85-N87 VanDerWaalsContact O-N 3.15Å
88	N	28.6	Very low	31.8	Very low	149 Å²	149	142.4 Å²	142.4	80%	0.797	74%	0.737	S	S	*	*			trans	-88.8	104.1	159	-82.6	-16.9	0	0	0	108.2	I86 Y90	I86-N88 PolarHBondContact O-N 3.16Å; N88-Y90 PolarHBondContact O-N 3.29Å
89	E	27.2	Very low	31.9	Very low	181 Å²	181	146.2 Å²	146.2	85%	0.846	74%	0.744	S	S	*	*			trans	-70.4	116.5	161	-70.7	-178.7	159.2	0	0	108.3
90	Y	33.8	Very low	31.9	Very low	221 Å²	221	143.6 Å²	143.6	87%	0.867	74%	0.737	S	S	*	*			trans	-171.3	105.8	142.8	-106.5	-75.4	0	0	0	110.7	N88	N88-Y90 PolarHBondContact O-N 3.29Å
91	S	30.6	Very low	32.1	Very low	91 Å²	91	147.9 Å²	147.9	64%	0.636	75%	0.749	S	S	*	*			trans	52.4	124.5	143.9	56.4	0	0	0	0	123.5
92	D	32.2	Very low	32.2	Very low	143 Å²	143	150.9 Å²	150.9	77%	0.765	76%	0.76	S	S	*	*			trans	95.2	94.9	131.5	-65.1	-10.1	0	0	0	122.7
93	T	31.7	Very low	32.2	Very low	118 Å²	118	148 Å²	148	72%	0.724	76%	0.758	S	S	*	*				66.5	124.7	124.3	44.2	0	0	0	0	123.6
94	I	37.4	Very low	32.5	Very low	154 Å²	154	145.8 Å²	145.8	79%	0.79	76%	0.755	S	S	*	*			trans	116.7	90.8	144.2	-62.8	149.6	0	0	0	117.6
95	K	35.7	Very low	32.7	Very low	206 Å²	206	146.6 Å²	146.6	90%	0.896	76%	0.757	S	S	*	*				28.3	131.4	128.8	-64.3	179.4	175.8	177.1	0	121.6
96	G	35.1	Very low	33.1	Very low	73 Å²	73	144.8 Å²	144.8	75%	0.753	75%	0.752	S	S	*	*			trans	144.3	76.9	137.9	0	0	0	0	0	117.2
97	H	39.6	Very low	33.3	Very low	155 Å²	155	142.6 Å²	142.6	72%	0.718	75%	0.749	S	S	*	*				62.9	110.5	115.9	-90.5	-19.8	0	0	0	119.5
98	R	38	Very low	33.6	Very low	191 Å²	191	143.7 Å²	143.7	72%	0.721	75%	0.754	S	S	*	*				81.8	138.7	106.4	-83.6	-178	178.9	178.8	4.2	113.5
99	K	37.9	Very low	33.8	Very low	165 Å²	165	144.5 Å²	144.5	72%	0.717	75%	0.753	S	S	*	*			cis	-176.3	149.3	8.4	-130.2	178.8	-177.4	-164.2	0	108
100	S	36	Very low	34.3	Very low	88 Å²	88	145.6 Å²	145.6	62%	0.615	76%	0.758	S	S	*	*			trans	41.5	147.2	135.5	63.4	0	0	0	0	120.8
101	E	36.6	Very low	34.1	Very low	161 Å²	161	139.6 Å²	139.6	75%	0.752	75%	0.748	S	S	*	*			cis	178.5	155.7	25.8	-120.7	161.8	-146.2	0	0	110.3
102	N	35.1	Very low	34.3	Very low	135 Å²	135	142 Å²	142	72%	0.722	76%	0.759	S	S	*	*			trans	63.3	111.7	138.3	-63.6	-17.4	0	0	0	125.8
103	C	31.1	Very low	34.4	Very low	119 Å²	119	141.3 Å²	141.3	80%	0.804	76%	0.755	S	S	*	*				62.7	126.3	104.3	-144	0	0	0	0	123.4
104	S	32.3	Very low	34.5	Very low	105 Å²	105	141.9 Å²	141.9	73%	0.734	75%	0.754	S	S	*	*			trans	151.1	118.7	130.8	56.7	0	0	0	0	112
105	M	31.5	Very low	34.2	Very low	155 Å²	155	146.3 Å²	146.3	76%	0.764	76%	0.762	S	S	*	*				56.6	135.8	102.7	-68.1	-119	-74.6	0	0	114.1
106	Q	32.1	Very low	33.8	Very low	148 Å²	148	142 Å²	142	69%	0.692	76%	0.758	S	S	*	*			cis	-175	142.7	23.8	-124.4	167.1	-6.2	0	0	110.9
107	S	32.5	Very low	33.7	Very low	94 Å²	94	143.6 Å²	143.6	66%	0.657	76%	0.758	S	S	*	*			trans	59.6	134.8	135.5	75.9	0	0	0	0	124.6
108	L	31.7	Very low	33.1	Very low	166 Å²	166	144.8 Å²	144.8	87%	0.869	76%	0.764	S	S	*	*				-168.9	150.6	106.3	-123	99.6	0	0	0	113.9
109	H	32.8	Very low	32.6	Very low	166 Å²	166	145.8 Å²	145.8	77%	0.769	77%	0.774	S	S	*	*			trans	-77.6	162.7	-171.1	-89.2	-101.1	0	0	0	116.9
110	Q	37.2	Very low	32.1	Very low	203 Å²	203	142.4 Å²	142.4	95%	0.949	77%	0.771	S	S	*	*				-162	137.9	125.8	-106.3	168.9	12.8	0	0	113.2
111	S	29.8	Very low	31.6	Very low	96 Å²	96	146.5 Å²	146.5	67%	0.671	78%	0.78	S	S	*	*			trans	-115.5	149	-169.5	56.3	0	0	0	0	112.6
112	V	35.1	Very low	31.2	Very low	140 Å²	140	149 Å²	149	85%	0.848	78%	0.784	S	S	*	*			trans	-150.5	107.7	148.8	-174.1	0	0	0	0	111
113	N	34.6	Very low	30.8	Very low	129 Å²	129	153.2 Å²	153.2	69%	0.69	79%	0.79	S	S	*	*				21	146.6	127.6	-66	-5.3	0	0	0	119.2
114	N	31.9	Very low	30.7	Very low	131 Å²	131	154.5 Å²	154.5	70%	0.701	80%	0.795	S	S	*	*			cis	-173	140.4	15.2	-102.5	-19.8	0	0	0	107.1
115	Y	32.6	Very low	30.6	Very low	246 Å²	246	155.4 Å²	155.4	97%	0.965	79%	0.791	S	S	*	*			trans	-167.8	116.8	132	-103.1	-72.7	0	0	0	109
116	S	26.2	Very low	30.6	Very low	115 Å²	115	157.5 Å²	157.5	80%	0.804	80%	0.799	S	S	*	*			trans	-92.5	133.8	-173.4	173.9	0	0	0	0	110.9
117	S	32.8	Very low	30.6	Very low	108 Å²	108	157.3 Å²	157.3	76%	0.755	80%	0.796	S	S	*	*				-170.4	108.1	129	42.3	0	0	0	0	111.8
118	Q	27.5	Very low	30.7	Very low	180 Å²	180	159.8 Å²	159.8	84%	0.841	80%	0.802	S	S	*	*			trans	54.2	87.5	141.9	-63	179.5	-15.7	0	0	119.5
119	F	27.5	Very low	31.1	Very low	212 Å²	212	162.4 Å²	162.4	93%	0.93	80%	0.801	S	S	*	*				-148.4	117.5	128.4	-108.6	-82.1	0	0	0	108.4
120	S	26.6	Very low	31.4	Very low	94 Å²	94	159.4 Å²	159.4	66%	0.657	79%	0.791	S	S	*	*			trans	-64.3	138.8	178.6	47	0	0	0	0	112.4
121	E	27.1	Very low	31.7	Very low	174 Å²	174	155.3 Å²	155.3	81%	0.813	77%	0.77	S	S	*	*			trans	36.2	103.3	145	-67.4	178.8	143.1	0	0	117.9
122	Y	27.2	Very low	32.4	Very low	212 Å²	212	153 Å²	153	83%	0.831	75%	0.754	S	S	*	*			trans	-148.6	108.7	138.6	-93.3	-72.9	0	0	0	110.2
123	R	27.2	Very low	32.9	Very low	225 Å²	225	151.9 Å²	151.9	85%	0.849	74%	0.74	S	S	*	*			trans	-50.5	135.7	156.7	-86.8	177.2	173.7	171.3	-1.8	108.7	D125	R123-D125 VanDerWaalsContact C-N 3.25Å; R123-D125 PolarHBondContact O-N 2.95Å
124	T	27.8	Very low	33.3	Very low	146 Å²	146	149.6 Å²	149.6	90%	0.896	73%	0.734	S	S	*	*			trans	-71.9	81.5	171.3	46.8	0	0	0	0	109.4
125	D	30.4	Very low	34	Very low	123 Å²	123	147.6 Å²	147.6	66%	0.658	72%	0.72	S	S	*	*			trans	-77.9	134.6	161.7	-70.6	-31	0	0	0	108.6	R123 K127	R123-D125 VanDerWaalsContact C-N 3.25Å; R123-D125 PolarHBondContact O-N 2.95Å; D125-K127 PolarHBondContact O-N 3.06Å
126	E	31.1	Very low	34.7	Very low	200 Å²	200	138.3 Å²	138.3	94%	0.935	69%	0.687	S	S	*	*			trans	-52.4	94.4	172.6	-69.7	175.8	149.4	0	0	110.3	N128	E126-N128 PolarHBondContact O-N 3.22Å
127	K	32.7	Very low	35.6	Very low	144 Å²	144	135.2 Å²	135.2	63%	0.626	66%	0.66	S	S	*	*			trans	-81.4	104.1	176	-75.3	-177	-178.9	176.3	0	109.1	D125 Y129	D125-K127 PolarHBondContact O-N 3.06Å; K127-Y129 WeakPolarHBondContact O-CD2 3.35Å; K127-Y129 WeakPolarHBondContact O-CE2 3.34Å; K127-Y129 PolarHBondContact O-N 2.89Å
128	N	35.6	Very low	36.2	Very low	145 Å²	145	136 Å²	136	78%	0.775	66%	0.655	S	S	*	*			trans	-46	109.6	157.4	-88.3	-30.5	0	0	0	109.3	E126 D130	E126-N128 PolarHBondContact O-N 3.22Å; N128-D130 PolarHBondContact O-N 3.1Å
129	Y	38.8	Very low	37.1	Very low	221 Å²	221	129 Å²	129	87%	0.867	63%	0.625	S	S	*	*			trans	-79	68.6	173	-72.4	-85.2	0	0	0	109.4	K127	K127-Y129 WeakPolarHBondContact O-CD2 3.35Å; K127-Y129 WeakPolarHBondContact O-CE2 3.34Å; K127-Y129 PolarHBondContact O-N 2.89Å
130	D	40.6	Very low	38.1	Very low	104 Å²	104	121.3 Å²	121.3	56%	0.556	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-91.1	136.3	177	-99.5	-22.1	0	0	0	110.8	N128 S132	N128-D130 PolarHBondContact O-N 3.1Å; D130-S132 PolarHBondContact O-N 2.77Å
131	F	42.2	Very low	39	Very low	116 Å²	116	126 Å²	126	51%	0.509	60%	0.596	S	S	.	*	P	Polyproline II helix	trans	-66.3	121.3	161.9	-86.2	-81.3	0	0	0	109.2	Q135 L136	F131-Q135 HydrophobicContact CD1-CB 3.9Å; F131-L136 HydrophobicContact CB-CD1 4.45Å; F131-L136 HydrophobicContact CB-CG 4.21Å
132	S	46	Very low	39.8	Very low	47 Å²	47	119 Å²	119	33%	0.329	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-65.3	152.9	174.8	75.9	0	0	0	0	110.8	D130 S134 Q135 L136	D130-S132 PolarHBondContact O-N 2.77Å; S132-S134 PolarHBondContact O-N 3.39Å; S132-S134 VanDerWaalsContact O-N 3.1Å; S132-S134 PolarHBondContact OG-OG 3.43Å; S132-Q135 WeakPolarHBondContact O-CB 3.4Å; S132-Q135 PolarHBondContact O-N 2.96Å; S132-Q135 VanDerWaalsContact OG-CG 3.26Å; S132-Q135 WeakPolarHBondContact OG-CG 3.21Å; S132-Q135 PolarHBondContact OG-N 3Å; S132-Q135 VanDerWaalsContact OG-N 3.16Å; S132-L136 PolarHBondContact O-N 2.61Å; S132-L136 VanDerWaalsContact O-N 3.13Å
133	H	43.7	Very low	40.5	Very low	118 Å²	118	114.8 Å²	114.8	55%	0.546	55%	0.551	S	S	.	*	H	α-helix	trans	-52.5	-34.9	175.1	-171.9	79.3	0	0	0	112.6	Q137	H133-Q137 WeakPolarHBondContact O-CG 3.4Å; H133-Q137 PolarHBondContact O-N 3.24Å; H133-Q137 VanDerWaalsContact O-N 3.1Å
134	S	43.2	Very low	41.1	Very low	81 Å²	81	104.5 Å²	104.5	57%	0.566	52%	0.515	S	S	*	.	H	α-helix	trans	-70.5	-35.3	175.7	50.5	0	0	0	0	113.1	S132 Q137 L138	S132-S134 PolarHBondContact O-N 3.39Å; S132-S134 VanDerWaalsContact O-N 3.1Å; S132-S134 PolarHBondContact OG-OG 3.43Å; S134-Q137 PolarHBondContact O-N 2.9Å; S134-L138 WeakPolarHBondContact O-CB 2.87Å; S134-L138 PolarHBondContact O-N 2.96Å
135	Q	46.9	Very low	42	Very low	88 Å²	88	99.5 Å²	99.5	41%	0.411	48%	0.483	S	S	.	.	H	α-helix	trans	-68.7	-40.9	176.4	-72.4	167.2	-20.3	0	0	111.7	F131 S132 L138 V139	F131-Q135 HydrophobicContact CD1-CB 3.9Å; S132-Q135 WeakPolarHBondContact O-CB 3.4Å; S132-Q135 PolarHBondContact O-N 2.96Å; S132-Q135 VanDerWaalsContact OG-CG 3.26Å; S132-Q135 WeakPolarHBondContact OG-CG 3.21Å; S132-Q135 PolarHBondContact OG-N 3Å; S132-Q135 VanDerWaalsContact OG-N 3.16Å; Q135-L138 WeakPolarHBondContact O-CB 3.31Å; Q135-L138 PolarHBondContact O-N 3.31Å; Q135-V139 WeakPolarHBondContact O-CG2 3.45Å; Q135-V139 PolarHBondContact O-N 2.83Å
136	L	48.4	Very low	42.7	Very low	51 Å²	51	102.8 Å²	102.8	27%	0.267	49%	0.486	S	S	.	.	H	α-helix	trans	-64.5	-42.2	173.2	-78.5	164.1	0	0	0	112.2	I71 F131 S132 L138 V139 L140	I71-L136 HydrophobicContact CD1-CD1 4.09Å; I71-L136 HydrophobicContact CD1-CD2 4.21Å; F131-L136 HydrophobicContact CB-CD1 4.45Å; F131-L136 HydrophobicContact CB-CG 4.21Å; S132-L136 PolarHBondContact O-N 2.61Å; S132-L136 VanDerWaalsContact O-N 3.13Å; L136-L138 VanDerWaalsContact C-N 3.26Å; L136-L138 PolarHBondContact O-N 3.45Å; L136-V139 PolarHBondContact O-N 3.04Å; L136-L140 WeakPolarHBondContact O-CG 3.39Å; L136-L140 PolarHBondContact O-N 2.73Å
137	Q	45.2	Very low	43.4	Very low	51 Å²	51	96.6 Å²	96.6	24%	0.238	46%	0.459	C	S	.	.	H	α-helix	trans	-59.5	-38.2	171.9	-80.5	-119.3	-2.6	0	0	112	H133 S134 R141	H133-Q137 WeakPolarHBondContact O-CG 3.4Å; H133-Q137 PolarHBondContact O-N 3.24Å; H133-Q137 VanDerWaalsContact O-N 3.1Å; S134-Q137 PolarHBondContact O-N 2.9Å; Q137-R141 WeakPolarHBondContact O-CB 3.09Å; Q137-R141 VanDerWaalsContact O-CG 3.25Å; Q137-R141 WeakPolarHBondContact O-CG 3.17Å; Q137-R141 PolarHBondContact O-N 2.63Å
138	L	44.4	Very low	44	Very low	123 Å²	123	91.4 Å²	91.4	64%	0.644	44%	0.436	S	S	*	.	H	α-helix	trans	-66	-48.2	178.3	-156.1	83.8	0	0	0	110.9	S134 Q135 L136 L140 R141 M142	S134-L138 WeakPolarHBondContact O-CB 2.87Å; S134-L138 PolarHBondContact O-N 2.96Å; Q135-L138 WeakPolarHBondContact O-CB 3.31Å; Q135-L138 PolarHBondContact O-N 3.31Å; L136-L138 VanDerWaalsContact C-N 3.26Å; L136-L138 PolarHBondContact O-N 3.45Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 PolarHBondContact O-N 2.99Å; L138-R141 PolarHBondContact O-N 2.88Å; L138-M142 WeakPolarHBondContact O-CG 3.27Å; L138-M142 PolarHBondContact O-N 3.09Å
139	V	46.7	Very low	44.5	Very low	35 Å²	35	87.5 Å²	87.5	21%	0.212	42%	0.415	C	S	.	.	H	α-helix	trans	-55.7	-46.9	176.9	171.3	0	0	0	0	110.4	I27 Q135 L136 R141 M142 I145	I27-V139 HydrophobicContact CD1-CG2 4.27Å; Q135-V139 WeakPolarHBondContact O-CG2 3.45Å; Q135-V139 PolarHBondContact O-N 2.83Å; L136-V139 PolarHBondContact O-N 3.04Å; V139-R141 PolarHBondContact O-N 3.26Å; V139-M142 WeakPolarHBondContact O-CB 3.45Å; V139-M142 PolarHBondContact O-N 3.41Å; V139-I145 HydrophobicContact CG1-CD1 3.68Å; V139-I145 WeakPolarHBondContact O-CD1 3.22Å
140	L	47.6	Very low	44.9	Very low	50 Å²	50	81.9 Å²	81.9	26%	0.262	40%	0.4	S	S	.	.	H	α-helix	trans	-74.6	-20.8	-177.7	-65.5	167.9	0	0	0	114.3	L64 L67 L136 L138 M142	L64-L140 HydrophobicContact CD1-CB 3.74Å; L64-L140 HydrophobicContact CD1-CD1 3.51Å; L64-L140 HydrophobicContact CD1-CG 4.16Å; L64-L140 HydrophobicContact CG-CD1 3.82Å; L67-L140 HydrophobicContact CD1-CD1 4.32Å; L67-L140 HydrophobicContact CD1-CD2 3.94Å; L136-L140 WeakPolarHBondContact O-CG 3.39Å; L136-L140 PolarHBondContact O-N 2.73Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 PolarHBondContact O-N 2.99Å; L140-M142 VanDerWaalsContact C-N 3.34Å
141	R	46.1	Very low	45.1	Very low	192 Å²	192	78.3 Å²	78.3	73%	0.725	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-5.7	173.8	-76.3	-177.4	-168.9	-157.8	5	113.7	Q137 L138 V139 E143	Q137-R141 WeakPolarHBondContact O-CB 3.09Å; Q137-R141 VanDerWaalsContact O-CG 3.25Å; Q137-R141 WeakPolarHBondContact O-CG 3.17Å; Q137-R141 PolarHBondContact O-N 2.63Å; L138-R141 PolarHBondContact O-N 2.88Å; V139-R141 PolarHBondContact O-N 3.26Å; R141-E143 PolarHBondContact O-N 2.82Å
142	M	43.4	Very low	45.4	Very low	26 Å²	26	74.3 Å²	74.3	13%	0.128	36%	0.364	C	S	.	.			trans	-68.7	119.1	178.7	-71.7	170.4	52.9	0	0	110.4	I23 I27 L138 V139 L140 G144 I145	I23-M142 HydrophobicContact CB-CE 3.43Å; I23-M142 VanDerWaalsContact CB-CE 3.43Å; I23-M142 HydrophobicContact CB-SD 4.35Å; I23-M142 HydrophobicContact CD1-CE 4.07Å; I23-M142 HydrophobicContact CG1-CE 4.35Å; I23-M142 HydrophobicContact CG2-CE 3.05Å; I23-M142 HydrophobicContact CG2-CG 4.36Å; I23-M142 HydrophobicContact CG2-SD 3.35Å; I23-M142 WeakPolarHBondContact CG2-SD 3.34Å; I27-M142 HydrophobicContact CD1-CE 3.82Å; I27-M142 HydrophobicContact CD1-SD 3.61Å; L138-M142 WeakPolarHBondContact O-CG 3.27Å; L138-M142 PolarHBondContact O-N 3.09Å; V139-M142 WeakPolarHBondContact O-CB 3.45Å; V139-M142 PolarHBondContact O-N 3.41Å; L140-M142 VanDerWaalsContact C-N 3.34Å; M142-G144 PolarHBondContact O-N 2.95Å; M142-I145 PolarHBondContact O-N 2.88Å
143	E	42.1	Very low	45.4	Very low	124 Å²	124	75.6 Å²	75.6	58%	0.579	38%	0.377	S	S	*	.	H	α-helix	trans	-45.7	-34.7	167.4	-72.6	170.5	143.8	0	0	111.4	K19 R141 I145 R146 D147	K19-E143 IonicContact NZ-OE2 3.02Å; K19-E143 PolarHBondContact NZ-OE2 2.86Å; R141-E143 PolarHBondContact O-N 2.82Å; E143-I145 VanDerWaalsContact C-N 3.31Å; E143-I145 PolarHBondContact O-N 3.22Å; E143-R146 CarbonylContact O-C 3.55Å; E143-R146 WeakPolarHBondContact O-CA 3.48Å; E143-R146 WeakPolarHBondContact O-CB 3.44Å; E143-R146 PolarHBondContact O-N 2.88Å; E143-D147 PolarHBondContact O-N 3Å
144	G	39.9	Very low	45.2	Very low	9 Å²	9	74.3 Å²	74.3	9%	0.093	38%	0.381	C	S	.	.	H	α-helix	trans	-58.3	-28.9	175.9	0	0	0	0	0	116.2	N20 M142 W148	N20-G144 WeakPolarHBondContact ND2-CA 3.11Å; M142-G144 PolarHBondContact O-N 2.95Å; G144-W148 WeakPolarHBondContact O-CB 3.36Å; G144-W148 PolarHBondContact O-N 3.36Å
145	I	46.5	Very low	45	Very low	42 Å²	42	72.3 Å²	72.3	22%	0.215	37%	0.367	C	S	.	.	H	α-helix	trans	-76.2	-35.1	172.6	-62.6	-171.4	0	0	0	110.3	V139 M142 E143 W148 L149	V139-I145 HydrophobicContact CG1-CD1 3.68Å; V139-I145 WeakPolarHBondContact O-CD1 3.22Å; M142-I145 PolarHBondContact O-N 2.88Å; E143-I145 VanDerWaalsContact C-N 3.31Å; E143-I145 PolarHBondContact O-N 3.22Å; I145-W148 WeakPolarHBondContact O-CB 3.45Å; I145-W148 PolarHBondContact O-N 3.04Å; I145-L149 VanDerWaalsContact O-CG 3.27Å; I145-L149 WeakPolarHBondContact O-CG 3.4Å; I145-L149 PolarHBondContact O-N 3.08Å
146	R	45.2	Very low	44.7	Very low	191 Å²	191	68.9 Å²	68.9	72%	0.721	36%	0.356	S	S	*	.	H	α-helix	trans	-71.7	-36.6	175.9	-155.2	175.2	-177.4	-178.8	0.6	112	E143 W148 L149 N150	E143-R146 CarbonylContact O-C 3.55Å; E143-R146 WeakPolarHBondContact O-CA 3.48Å; E143-R146 WeakPolarHBondContact O-CB 3.44Å; E143-R146 PolarHBondContact O-N 2.88Å; R146-W148 VanDerWaalsContact C-N 3.34Å; R146-L149 WeakPolarHBondContact O-CB 3.45Å; R146-L149 PolarHBondContact O-N 3.04Å; R146-N150 PolarHBondContact O-N 3.48Å
147	D	45.4	Very low	44.4	Very low	70 Å²	70	68.9 Å²	68.9	37%	0.374	36%	0.356	S	S	.	.	H	α-helix	trans	-67.4	-36	169.4	-66.8	-25.7	0	0	0	111.2	N20 E143 N150 L151	N20-D147 PolarHBondContact ND2-OD2 3.24Å; E143-D147 PolarHBondContact O-N 3Å; D147-N150 CarbonylContact O-C 3.59Å; D147-N150 PolarHBondContact O-N 3.12Å; D147-L151 VanDerWaalsContact O-CB 3.22Å; D147-L151 WeakPolarHBondContact O-CB 3.32Å; D147-L151 PolarHBondContact O-N 3.09Å
148	W	46.5	Very low	44.6	Very low	36 Å²	36	69.1 Å²	69.1	14%	0.136	36%	0.358	C	S	.	.	H	α-helix	trans	-62.4	-40.6	172.5	-175.7	78.2	0	0	0	111.9	F8 F12 I53 G144 I145 R146 L151 I152	F8-W148 HydrophobicContact CE2-CZ2 4.18Å; F8-W148 AromaticContact CE2-NE1 3.87Å; F8-W148 HydrophobicContact CZ-CZ2 4.42Å; F8-W148 AromaticContact CZ-NE1 3.52Å; F12-W148 AromaticContact CZ-NE1 3.88Å; I53-W148 HydrophobicContact CD1-CE3 4.12Å; I53-W148 HydrophobicContact CD1-CH2 4.38Å; I53-W148 HydrophobicContact CD1-CZ3 3.44Å; I53-W148 VanDerWaalsContact CD1-CZ3 3.44Å; I53-W148 HydrophobicContact CG2-CZ3 4.31Å; G144-W148 WeakPolarHBondContact O-CB 3.36Å; G144-W148 PolarHBondContact O-N 3.36Å; I145-W148 WeakPolarHBondContact O-CB 3.45Å; I145-W148 PolarHBondContact O-N 3.04Å; R146-W148 VanDerWaalsContact C-N 3.34Å; W148-L151 PolarHBondContact O-N 2.92Å; W148-I152 HydrophobicContact CD2-CD1 3.65Å; W148-I152 HydrophobicContact CD2-CG1 4.49Å; W148-I152 VanDerWaalsContact CE2-CD1 3.46Å; W148-I152 HydrophobicContact CE3-CD1 3.73Å; W148-I152 HydrophobicContact CG-CD1 4.42Å; W148-I152 HydrophobicContact CH2-CD1 3.54Å; W148-I152 HydrophobicContact CZ2-CD1 3.46Å; W148-I152 VanDerWaalsContact CZ2-CD1 3.46Å; W148-I152 HydrophobicContact CZ3-CD1 3.64Å; W148-I152 WeakPolarHBondContact O-CG1 3.41Å; W148-I152 PolarHBondContact O-N 2.98Å
149	L	45.7	Very low	44.7	Very low	63 Å²	63	68.8 Å²	68.8	33%	0.33	36%	0.357	S	S	.	.	H	α-helix	trans	-61.3	-47.4	172.8	-69.6	169.4	0	0	0	111.7	I53 I145 R146 L151 A153	I53-L149 HydrophobicContact CB-CD2 4.19Å; I53-L149 HydrophobicContact CD1-CD2 4.11Å; I53-L149 HydrophobicContact CG1-CD2 4.04Å; I53-L149 HydrophobicContact CG2-CD2 3.22Å; I145-L149 VanDerWaalsContact O-CG 3.27Å; I145-L149 WeakPolarHBondContact O-CG 3.4Å; I145-L149 PolarHBondContact O-N 3.08Å; R146-L149 WeakPolarHBondContact O-CB 3.45Å; R146-L149 PolarHBondContact O-N 3.04Å; L149-L151 VanDerWaalsContact C-N 3.27Å; L149-L151 PolarHBondContact O-N 2.83Å; L149-A153 WeakPolarHBondContact O-CB 3.4Å; L149-A153 PolarHBondContact O-N 2.84Å; L149-A153 VanDerWaalsContact O-N 3.15Å
150	N	47.5	Very low	44.8	Very low	103 Å²	103	72.2 Å²	72.2	55%	0.551	37%	0.371	S	S	*	.	H	α-helix	trans	-64.4	-33.4	174.9	-73.4	-28	0	0	0	111.8	R146 D147 S154	R146-N150 PolarHBondContact O-N 3.48Å; D147-N150 CarbonylContact O-C 3.59Å; D147-N150 PolarHBondContact O-N 3.12Å; N150-S154 WeakPolarHBondContact O-CB 3.22Å; N150-S154 PolarHBondContact O-N 3.2Å; N150-S154 PolarHBondContact O-OG 3.01Å
151	L	44.6	Very low	45	Very low	28 Å²	28	69.9 Å²	69.9	15%	0.147	36%	0.359	C	S	.	.	H	α-helix	trans	-71.2	-45.6	179.3	-169.3	73.3	0	0	0	111.7	F12 R15 D147 W148 L149 A153 S154 C155	F12-L151 HydrophobicContact CD1-CD2 3.72Å; F12-L151 HydrophobicContact CE1-CD2 4.06Å; R15-L151 HydrophobicContact CB-CD1 4.24Å; R15-L151 HydrophobicContact CB-CD2 3.92Å; D147-L151 VanDerWaalsContact O-CB 3.22Å; D147-L151 WeakPolarHBondContact O-CB 3.32Å; D147-L151 PolarHBondContact O-N 3.09Å; W148-L151 PolarHBondContact O-N 2.92Å; L149-L151 VanDerWaalsContact C-N 3.27Å; L149-L151 PolarHBondContact O-N 2.83Å; L151-A153 VanDerWaalsContact C-N 3.32Å; L151-A153 PolarHBondContact O-N 3.01Å; L151-S154 WeakPolarHBondContact CA-OG 3.45Å; L151-S154 PolarHBondContact O-N 3.32Å; L151-S154 PolarHBondContact O-OG 2.81Å; L151-C155 WeakPolarHBondContact O-CB 3.27Å; L151-C155 PolarHBondContact O-N 2.73Å; L151-C155 PolarHBondContact O-SG 2.88Å
152	I	48	Very low	45.2	Very low	33 Å²	33	65.3 Å²	65.3	17%	0.169	35%	0.349	C	S	.	.	H	α-helix	trans	-60.9	-44.6	176.4	-70.3	171.7	0	0	0	110.3	W148 L158	W148-I152 HydrophobicContact CD2-CD1 3.65Å; W148-I152 HydrophobicContact CD2-CG1 4.49Å; W148-I152 VanDerWaalsContact CE2-CD1 3.46Å; W148-I152 HydrophobicContact CE3-CD1 3.73Å; W148-I152 HydrophobicContact CG-CD1 4.42Å; W148-I152 HydrophobicContact CH2-CD1 3.54Å; W148-I152 HydrophobicContact CZ2-CD1 3.46Å; W148-I152 VanDerWaalsContact CZ2-CD1 3.46Å; W148-I152 HydrophobicContact CZ3-CD1 3.64Å; W148-I152 WeakPolarHBondContact O-CG1 3.41Å; W148-I152 PolarHBondContact O-N 2.98Å; I152-L158 HydrophobicContact CG2-CD1 4.15Å; I152-L158 HydrophobicContact CG2-CG 4.21Å
153	A	47.2	Very low	45.5	Very low	74 Å²	74	64.6 Å²	64.6	61%	0.612	35%	0.346	S	S	*	.	H	α-helix	trans	-66.5	-44	177.2	0	0	0	0	0	112.5	L149 L151	L149-A153 WeakPolarHBondContact O-CB 3.4Å; L149-A153 PolarHBondContact O-N 2.84Å; L149-A153 VanDerWaalsContact O-N 3.15Å; L151-A153 VanDerWaalsContact C-N 3.32Å; L151-A153 PolarHBondContact O-N 3.01Å
154	S	39.3	Very low	45.9	Very low	90 Å²	90	63 Å²	63	63%	0.629	35%	0.346	S	S	*	.	H	α-helix	trans	-77.5	-25.3	-177	61	0	0	0	0	114.4	N150 L151 G156	N150-S154 WeakPolarHBondContact O-CB 3.22Å; N150-S154 PolarHBondContact O-N 3.2Å; N150-S154 PolarHBondContact O-OG 3.01Å; L151-S154 WeakPolarHBondContact CA-OG 3.45Å; L151-S154 PolarHBondContact O-N 3.32Å; L151-S154 PolarHBondContact O-OG 2.81Å; S154-G156 PolarHBondContact O-N 2.82Å
155	C	38.4	Very low	46.5	Very low	39 Å²	39	67 Å²	67	26%	0.264	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-6.2	178.9	-70.7	0	0	0	0	113.2	R15 L151 L157	R15-C155 PolarHBondContact NH1-SG 3.48Å; L151-C155 WeakPolarHBondContact O-CB 3.27Å; L151-C155 PolarHBondContact O-N 2.73Å; L151-C155 PolarHBondContact O-SG 2.88Å; C155-L157 HydrophobicContact CB-CB 4.41Å; C155-L157 HydrophobicContact CB-CD1 3.62Å; C155-L157 HydrophobicContact CB-CG 3.8Å; C155-L157 PolarHBondContact O-N 3.34Å
156	G	40.5	Very low	46.7	Very low	17 Å²	17	66.5 Å²	66.5	18%	0.175	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	17.8	-174.4	0	0	0	0	0	112.9	S154 L158 N159 E160	S154-G156 PolarHBondContact O-N 2.82Å; G156-L158 PolarHBondContact O-N 2.82Å; G156-N159 WeakPolarHBondContact O-CA 3.37Å; G156-N159 VanDerWaalsContact O-CB 3.25Å; G156-N159 WeakPolarHBondContact O-CB 3.48Å; G156-N159 PolarHBondContact O-N 2.84Å; G156-E160 PolarHBondContact O-N 2.92Å; G156-E160 VanDerWaalsContact O-N 3.1Å
157	L	42.9	Very low	46.8	Very low	51 Å²	51	69.6 Å²	69.6	27%	0.267	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-25.9	-179.2	-84.3	161.4	0	0	0	111.6	C155 P444	C155-L157 HydrophobicContact CB-CB 4.41Å; C155-L157 HydrophobicContact CB-CD1 3.62Å; C155-L157 HydrophobicContact CB-CG 3.8Å; C155-L157 PolarHBondContact O-N 3.34Å; L157-P444 HydrophobicContact CB-CG 3.9Å; L157-P444 HydrophobicContact CD2-CG 4.22Å; L157-P444 HydrophobicContact CG-CG 4.46Å
158	L	47.7	Very low	47.1	Very low	56 Å²	56	69.4 Å²	69.4	29%	0.293	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-25.5	169.6	-63.1	177.2	0	0	0	112.8	I152 G156 E160 L161 H236	I152-L158 HydrophobicContact CG2-CD1 4.15Å; I152-L158 HydrophobicContact CG2-CG 4.21Å; G156-L158 PolarHBondContact O-N 2.82Å; L158-E160 VanDerWaalsContact C-N 3.31Å; L158-L161 HydrophobicContact CD2-CD1 4.1Å; L158-L161 WeakPolarHBondContact O-CB 3.48Å; L158-L161 PolarHBondContact O-N 3.03Å; L158-H236 WeakPolarHBondContact CD2-NE2 3.4Å
159	N	46.4	Very low	46.8	Very low	116 Å²	116	70.9 Å²	70.9	62%	0.62	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-72.2	-26.3	174.7	-59.3	-19.8	0	0	0	111.4	G156 L161 D162	G156-N159 WeakPolarHBondContact O-CA 3.37Å; G156-N159 VanDerWaalsContact O-CB 3.25Å; G156-N159 WeakPolarHBondContact O-CB 3.48Å; G156-N159 PolarHBondContact O-N 2.84Å; N159-L161 PolarHBondContact O-N 2.93Å; N159-D162 PolarHBondContact O-N 3.05Å; N159-D162 VanDerWaalsContact O-N 3.13Å
160	E	49.3	Very low	46.8	Very low	106 Å²	106	73.7 Å²	73.7	50%	0.495	42%	0.415	S	S	.	.	G	3₁₀ helix	trans	-62.3	-23	171	-78.2	-161	175.1	0	0	112.7	G156 L158 D162 G440	G156-E160 PolarHBondContact O-N 2.92Å; G156-E160 VanDerWaalsContact O-N 3.1Å; L158-E160 VanDerWaalsContact C-N 3.31Å; E160-D162 PolarHBondContact O-N 3.23Å; E160-G440 WeakPolarHBondContact O-CA 3.43Å; E160-G440 PolarHBondContact O-N 3.42Å
161	L	51.5	Low	46.7	Very low	2 Å²	2	76 Å²	76	1%	0.01	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-71.7	-13.9	176.1	-68.5	170.7	0	0	0	112.4	L158 N159 P163 V198 R205 R442	L158-L161 HydrophobicContact CD2-CD1 4.1Å; L158-L161 WeakPolarHBondContact O-CB 3.48Å; L158-L161 PolarHBondContact O-N 3.03Å; N159-L161 PolarHBondContact O-N 2.93Å; L161-P163 WeakPolarHBondContact O-CD 3.15Å; L161-V198 HydrophobicContact CD2-CG2 4.07Å; L161-R205 PolarHBondContact O-NH1 3.34Å; L161-R205 PolarHBondContact O-NH2 3.45Å; L161-R442 WeakPolarHBondContact CD2-O 3.14Å
162	D	50.2	Low	47.2	Very low	96 Å²	96	79.6 Å²	79.6	51%	0.513	44%	0.442	S	S	.	.			trans	-91.5	89.8	-175.4	-72.6	-31.3	0	0	0	112.8	N159 E160 R205	N159-D162 PolarHBondContact O-N 3.05Å; N159-D162 VanDerWaalsContact O-N 3.13Å; E160-D162 PolarHBondContact O-N 3.23Å; D162-R205 IonicContact OD1-CZ 2.62Å; D162-R205 IonicContact OD1-NE 3.5Å; D162-R205 IonicContact OD1-NH2 3.58Å; D162-R205 PolarHBondContact OD1-NH2 2.93Å
163	P	50.7	Low	48.4	Very low	10 Å²	10	85.6 Å²	85.6	7%	0.065	46%	0.463	C	S	.	.	P	Polyproline II helix	trans	-61.5	149.4	159.7	29.5	-35.7	0	0	0	109.2	L161 L165 R205 M206 K439	L161-P163 WeakPolarHBondContact O-CD 3.15Å; P163-L165 PolarHBondContact O-N 3.13Å; P163-R205 HydrophobicContact CG-CB 3.85Å; P163-R205 HydrophobicContact CG-CG 4.36Å; P163-M206 HydrophobicContact CB-SD 4.36Å; P163-K439 HydrophobicContact CB-CB 4.37Å
164	P	49.9	Very low	50.3	Low	91 Å²	91	84.1 Å²	84.1	59%	0.591	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-56.1	131.2	174.4	24.4	-32.5	0	0	0	109.5
165	L	53.9	Low	52.8	Low	92 Å²	92	80.3 Å²	80.3	48%	0.482	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-55.4	126.7	170.7	-70.3	169.1	0	0	0	107.8	P163 R167 W240 F244	P163-L165 PolarHBondContact O-N 3.13Å; L165-R167 PolarHBondContact O-N 3.18Å; L165-W240 HydrophobicContact CD2-CZ2 4.47Å; L165-F244 HydrophobicContact CD1-CD1 4.44Å; L165-F244 HydrophobicContact CD1-CE1 3.67Å; L165-F244 HydrophobicContact CD1-CZ 3.91Å
166	P	49.3	Very low	55.5	Low	32 Å²	32	79 Å²	79	21%	0.208	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-61.2	131.5	172.5	26	-31.3	0	0	0	108.1	I168 R176 R205	P166-I168 VanDerWaalsContact C-N 3.27Å; P166-I168 HydrophobicContact CB-CD1 4.21Å; P166-I168 HydrophobicContact CB-CG1 3.96Å; P166-I168 HydrophobicContact CG-CD1 3.94Å; P166-I168 HydrophobicContact CG-CG1 4.15Å; P166-I168 PolarHBondContact O-N 2.83Å; P166-R176 VanDerWaalsContact CB-NH1 3.26Å; P166-R205 WeakPolarHBondContact CD-O 3.5Å; P166-R205 WeakPolarHBondContact CG-O 3.31Å
167	R	48.7	Very low	58.2	Low	256 Å²	256	78.2 Å²	78.2	97%	0.966	40%	0.397	S	S	*	.			trans	-70.3	89.2	169.4	-69.3	-177	-176.9	-178.1	0.8	107.3	L165	L165-R167 PolarHBondContact O-N 3.18Å
168	I	50.5	Low	60.8	Low	66 Å²	66	75.8 Å²	75.8	34%	0.338	38%	0.384	S	S	.	.			trans	-98	115.3	173	-55.6	179.3	0	0	0	106.5	P166 S170 N207	P166-I168 VanDerWaalsContact C-N 3.27Å; P166-I168 HydrophobicContact CB-CD1 4.21Å; P166-I168 HydrophobicContact CB-CG1 3.96Å; P166-I168 HydrophobicContact CG-CD1 3.94Å; P166-I168 HydrophobicContact CG-CG1 4.15Å; P166-I168 PolarHBondContact O-N 2.83Å; I168-S170 PolarHBondContact O-N 2.63Å; I168-N207 HydrophobicContact CD1-CB 3.39Å; I168-N207 WeakPolarHBondContact CD1-ND2 3.33Å
169	S	41.3	Very low	63.2	Low	67 Å²	67	73.1 Å²	73.1	47%	0.469	37%	0.37	S	S	.	.			trans	-64.9	125.5	170.1	52.6	0	0	0	0	108.1	I171	S169-I171 PolarHBondContact O-N 3.16Å
170	S	45.2	Very low	65.7	Low	123 Å²	123	67.6 Å²	67.6	86%	0.86	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	4.5	-178	52.7	0	0	0	0	114.8	I168	I168-S170 PolarHBondContact O-N 2.63Å
171	I	45.5	Very low	67.9	Low	150 Å²	150	62.5 Å²	62.5	77%	0.769	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	-21.4	-165.7	-64.2	171.6	0	0	0	112.2	S169	S169-I171 PolarHBondContact O-N 3.16Å
172	E	54.3	Low	69.9	Low	105 Å²	105	62.4 Å²	62.4	49%	0.491	32%	0.316	S	S	.	.	S	Bend	trans	-119.6	139.7	-172.8	-72.2	178.2	-178.2	0	0	112.6	H174	E172-H174 VanDerWaalsContact C-N 3.31Å; E172-H174 WeakPolarHBondContact CB-CD2 3.42Å; E172-H174 WeakPolarHBondContact CB-NE2 3.34Å; E172-H174 PolarHBondContact O-CD2 3.24Å; E172-H174 PolarHBondContact O-N 3.27Å; E172-H174 IonicContact OE2-CD2 3.57Å; E172-H174 IonicContact OE2-CE1 3.42Å; E172-H174 PolarHBondContact OE2-CE1 2.93Å; E172-H174 IonicContact OE2-NE2 3.72Å; E172-H174 PolarHBondContact OE2-NE2 3.25Å
173	R	74.1	Confident	71.9	Confident	158 Å²	158	58.4 Å²	58.4	60%	0.596	30%	0.295	S	S	*	.			trans	-74.2	82.4	178.8	-69.7	-178.5	178.2	179.2	3.4	110.4	L470	R173-L470 PolarHBondContact O-N 2.94Å
174	H	85.6	Confident	73.7	Confident	43 Å²	43	61 Å²	61	20%	0.199	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	135.7	175.5	-65.3	-70.6	0	0	0	111.1	E172 T431 I468 H469	E172-H174 VanDerWaalsContact C-N 3.31Å; E172-H174 WeakPolarHBondContact CB-CD2 3.42Å; E172-H174 WeakPolarHBondContact CB-NE2 3.34Å; E172-H174 PolarHBondContact O-CD2 3.24Å; E172-H174 PolarHBondContact O-N 3.27Å; E172-H174 IonicContact OE2-CD2 3.57Å; E172-H174 IonicContact OE2-CE1 3.42Å; E172-H174 PolarHBondContact OE2-CE1 2.93Å; E172-H174 IonicContact OE2-NE2 3.72Å; E172-H174 PolarHBondContact OE2-NE2 3.25Å; H174-T431 VanDerWaalsContact CE1-CG2 3.48Å; H174-T431 WeakPolarHBondContact CE1-CG2 3.01Å; H174-T431 VanDerWaalsContact ND1-CG2 3.3Å; H174-T431 WeakPolarHBondContact ND1-CG2 3.43Å; H174-I468 WeakPolarHBondContact CA-O 3.2Å; H174-H469 AromaticContact CE1-CG 3.98Å; H174-H469 AromaticContact CE1-ND1 3.35Å; H174-H469 PolarHBondContact CE1-ND1 2.86Å; H174-H469 AromaticContact ND1-ND1 3.64Å; H174-H469 AromaticContact NE2-ND1 3.88Å
175	I	92.8	Very high	75.8	Confident	10 Å²	10	56.7 Å²	56.7	5%	0.051	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	115.1	170.2	-56.7	-67	0	0	0	107.6	I177 C279 I281 I314 I468 L470	I175-I177 HydrophobicContact CG2-CG1 4.21Å; I175-C279 HydrophobicContact CD1-CB 3.78Å; I175-I281 HydrophobicContact CD1-CD1 4.49Å; I175-I281 HydrophobicContact CG2-CD1 3.94Å; I175-I314 HydrophobicContact CD1-CG2 4.44Å; I175-I314 HydrophobicContact CG1-CG2 4.12Å; I175-I314 HydrophobicContact CG2-CD1 4.34Å; I175-I468 HydrophobicContact CB-CD1 4.08Å; I175-I468 HydrophobicContact CB-CG1 3.79Å; I175-I468 HydrophobicContact CG2-CD1 4.37Å; I175-I468 HydrophobicContact CG2-CG1 4.38Å; I175-I468 PolarHBondContact N-O 3.34Å; I175-I468 VanDerWaalsContact O-CG1 3.27Å; I175-I468 WeakPolarHBondContact O-CG1 3.34Å; I175-I468 PolarHBondContact O-N 3.24Å; I175-L470 HydrophobicContact CG1-CD1 3.85Å
176	R	95	Very high	77.6	Confident	12 Å²	12	55.2 Å²	55.2	5%	0.045	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	121.8	173.2	-175.6	162.4	-72.5	-179	-4.8	110.8	P166 M206 N207 V208 S209 L210 W465 D467	P166-R176 VanDerWaalsContact CB-NH1 3.26Å; R176-M206 WeakPolarHBondContact CD-O 3.49Å; R176-M206 PolarHBondContact NH1-O 3.47Å; R176-N207 WeakPolarHBondContact CB-O 3.49Å; R176-V208 HydrophobicContact CG-CG2 4.26Å; R176-S209 PolarHBondContact O-N 3.13Å; R176-L210 PolarHBondContact O-N 3.18Å; R176-W465 HydrophobicContact CG-CB 4.13Å; R176-W465 HydrophobicContact CG-CE3 4.26Å; R176-W465 VanDerWaalsContact NE-CE3 3.33Å; R176-W465 VanDerWaalsContact NH2-CZ3 3.28Å; R176-D467 VanDerWaalsContact CA-OD1 3.27Å; R176-D467 WeakPolarHBondContact CA-OD1 3.41Å; R176-D467 WeakPolarHBondContact CB-OD1 3.26Å; R176-D467 WeakPolarHBondContact CG-OD1 3.46Å; R176-D467 IonicContact CZ-OD1 3.83Å; R176-D467 IonicContact CZ-OD2 3.14Å; R176-D467 IonicContact NE-OD1 3.37Å; R176-D467 PolarHBondContact NE-OD1 2.79Å; R176-D467 IonicContact NE-OD2 3.88Å; R176-D467 PolarHBondContact NE-OD2 2.94Å; R176-D467 IonicContact NH2-OD1 3.96Å; R176-D467 IonicContact NH2-OD2 3.59Å; R176-D467 PolarHBondContact NH2-OD2 3.05Å
177	I	97.5	Very high	79.6	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.2	176.8	-54.4	-177.4	0	0	0	108.5	I175 L210 L212 I364 W465 F466 I468	I175-I177 HydrophobicContact CG2-CG1 4.21Å; I177-L210 CarbonylContact C-O 3.02Å; I177-L210 VanDerWaalsContact CA-O 3.27Å; I177-L210 WeakPolarHBondContact CA-O 3.3Å; I177-L210 HydrophobicContact CD1-CD2 4.05Å; I177-L210 HydrophobicContact CG1-CB 4.45Å; I177-L210 HydrophobicContact CG1-CD2 4.06Å; I177-L210 HydrophobicContact CG2-CD2 4.09Å; I177-L210 HydrophobicContact CG2-CG 4.23Å; I177-L212 HydrophobicContact CG2-CD1 4.17Å; I177-I364 HydrophobicContact CD1-CD1 3.79Å; I177-W465 CarbonylContact O-C 3.59Å; I177-W465 WeakPolarHBondContact O-CA 3.38Å; I177-F466 HydrophobicContact CB-CD1 4.41Å; I177-F466 HydrophobicContact CB-CD2 4.47Å; I177-F466 HydrophobicContact CB-CE1 3.84Å; I177-F466 HydrophobicContact CB-CE2 3.93Å; I177-F466 HydrophobicContact CB-CZ 3.57Å; I177-F466 HydrophobicContact CD1-CE2 3.98Å; I177-F466 HydrophobicContact CD1-CZ 4.05Å; I177-F466 HydrophobicContact CG1-CE2 4.33Å; I177-F466 HydrophobicContact CG1-CZ 4.32Å; I177-F466 HydrophobicContact CG2-CE1 3.8Å; I177-F466 HydrophobicContact CG2-CE2 4.43Å; I177-F466 HydrophobicContact CG2-CZ 3.61Å; I177-F466 PolarHBondContact N-O 3.27Å; I177-F466 PolarHBondContact O-N 3.1Å; I177-I468 HydrophobicContact CD1-CD1 3.72Å; I177-I468 HydrophobicContact CD1-CG1 4.06Å; I177-I468 HydrophobicContact CG1-CD1 4.46Å; I177-I468 HydrophobicContact CG1-CG1 4.42Å
178	G	98	Very high	81.5	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	165.2	174.9	0	0	0	0	0	113.9	L210 I211 L212 I464	G178-L210 PolarHBondContact N-O 3.1Å; G178-I211 WeakPolarHBondContact O-CA 3.42Å; G178-L212 PolarHBondContact O-N 3.29Å; G178-I464 CarbonylContact C-O 3.5Å; G178-I464 WeakPolarHBondContact CA-O 3.32Å
179	S	98.4	Very high	83.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	143.2	167	-166.7	0	0	0	0	110.4	L212 Q214 G367 P463 I464	S179-L212 CarbonylContact C-O 3.4Å; S179-L212 VanDerWaalsContact CA-O 3.28Å; S179-L212 WeakPolarHBondContact CA-O 3.32Å; S179-L212 PolarHBondContact OG-O 2.99Å; S179-Q214 PolarHBondContact OG-NE2 3.07Å; S179-Q214 PolarHBondContact OG-OE1 2.82Å; S179-Q214 VanDerWaalsContact OG-OE1 3.08Å; S179-G367 VanDerWaalsContact OG-CA 3.29Å; S179-G367 WeakPolarHBondContact OG-CA 3.2Å; S179-G367 PolarHBondContact OG-N 3.25Å; S179-P463 WeakPolarHBondContact O-CA 3.48Å; S179-I464 PolarHBondContact N-O 3.32Å; S179-I464 VanDerWaalsContact N-O 3.09Å; S179-I464 PolarHBondContact O-N 3.47Å
180	W	97.9	Very high	85.8	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	119	-177.9	-162.2	6.6	0	0	0	113.6	L182 V198 V199 T202 I211 L212 L213 Q214 L441 V458 H461 P463	W180-L182 HydrophobicContact CD2-CD2 3.4Å; W180-L182 HydrophobicContact CD2-CG 4.27Å; W180-L182 HydrophobicContact CE3-CD2 3.48Å; W180-L182 VanDerWaalsContact CE3-CD2 3.48Å; W180-L182 HydrophobicContact CE3-CG 4.46Å; W180-L182 HydrophobicContact CG-CD2 3.99Å; W180-L182 HydrophobicContact CG-CG 4.4Å; W180-L182 HydrophobicContact CH2-CD2 4.03Å; W180-L182 HydrophobicContact CZ2-CD2 3.97Å; W180-L182 HydrophobicContact CZ3-CD2 3.79Å; W180-L182 PolarHBondContact O-N 3.36Å; W180-V198 HydrophobicContact CH2-CG1 4.46Å; W180-V199 HydrophobicContact CH2-CG2 4.13Å; W180-V199 HydrophobicContact CZ3-CB 4.26Å; W180-V199 HydrophobicContact CZ3-CG1 4.11Å; W180-V199 HydrophobicContact CZ3-CG2 4.03Å; W180-T202 HydrophobicContact CH2-CG2 4.33Å; W180-T202 HydrophobicContact CZ3-CG2 4.15Å; W180-I211 HydrophobicContact CB-CD1 4.2Å; W180-I211 HydrophobicContact CE3-CD1 4.32Å; W180-L212 PolarHBondContact N-O 2.6Å; W180-L213 HydrophobicContact CB-CD2 4.05Å; W180-L213 WeakPolarHBondContact O-CA 3.29Å; W180-Q214 PolarHBondContact O-N 3.46Å; W180-Q214 PolarHBondContact O-OE1 3.37Å; W180-L441 HydrophobicContact CH2-CD2 4.15Å; W180-L441 HydrophobicContact CZ2-CD2 3.92Å; W180-V458 HydrophobicContact CH2-CG1 3.72Å; W180-V458 HydrophobicContact CZ2-CG1 3.29Å; W180-H461 PolarHBondContact NE1-O 3.13Å; W180-P463 HydrophobicContact CB-CB 3.96Å; W180-P463 HydrophobicContact CD2-CB 3.78Å; W180-P463 HydrophobicContact CD2-CG 3.68Å; W180-P463 HydrophobicContact CE3-CB 4.15Å; W180-P463 HydrophobicContact CE3-CG 3.97Å; W180-P463 HydrophobicContact CG-CB 3.69Å; W180-P463 HydrophobicContact CG-CG 4.08Å; W180-P463 HydrophobicContact CH2-CG 4.27Å; W180-P463 HydrophobicContact CZ2-CG 3.99Å; W180-P463 HydrophobicContact CZ3-CG 4.27Å
181	N	95.6	Very high	87.8	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	114.8	161.8	-177.7	-21.4	0	0	0	109.8	N183 Q214 E215 D368 S459 H461	N181-N183 PolarHBondContact OD1-N 3.2Å; N181-Q214 HydrophobicContact CB-CB 4.25Å; N181-E215 PolarHBondContact ND2-OE1 2.77Å; N181-E215 WeakPolarHBondContact OD1-CB 3.22Å; N181-E215 WeakPolarHBondContact OD1-CG 3.29Å; N181-E215 PolarHBondContact OD1-OE1 3.27Å; N181-D368 HydrophobicContact CB-CB 4.42Å; N181-D368 PolarHBondContact ND2-OD2 2.82Å; N181-S459 WeakPolarHBondContact O-CB 3.37Å; N181-S459 PolarHBondContact O-OG 3.21Å; N181-H461 HydrophobicContact CB-CB 3.95Å
182	L	94.3	Very high	89.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	7.9	-175.6	-72.4	175.5	0	0	0	114.5	W180 F185 V199 L213 Q214	W180-L182 HydrophobicContact CD2-CD2 3.4Å; W180-L182 HydrophobicContact CD2-CG 4.27Å; W180-L182 HydrophobicContact CE3-CD2 3.48Å; W180-L182 VanDerWaalsContact CE3-CD2 3.48Å; W180-L182 HydrophobicContact CE3-CG 4.46Å; W180-L182 HydrophobicContact CG-CD2 3.99Å; W180-L182 HydrophobicContact CG-CG 4.4Å; W180-L182 HydrophobicContact CH2-CD2 4.03Å; W180-L182 HydrophobicContact CZ2-CD2 3.97Å; W180-L182 HydrophobicContact CZ3-CD2 3.79Å; W180-L182 PolarHBondContact O-N 3.36Å; L182-F185 HydrophobicContact CB-CB 3.58Å; L182-F185 HydrophobicContact CB-CD2 3.92Å; L182-F185 HydrophobicContact CB-CG 4.04Å; L182-F185 HydrophobicContact CD1-CB 4.08Å; L182-F185 HydrophobicContact CD1-CD1 4.49Å; L182-F185 HydrophobicContact CD1-CD2 4.08Å; L182-F185 HydrophobicContact CD1-CG 3.97Å; L182-F185 HydrophobicContact CD2-CD2 4.41Å; L182-F185 HydrophobicContact CG-CB 4.49Å; L182-F185 HydrophobicContact CG-CD2 4.4Å; L182-V199 HydrophobicContact CD2-CG2 3.98Å; L182-L213 HydrophobicContact CD1-CB 4.21Å; L182-L213 HydrophobicContact CD1-CD1 3.95Å; L182-L213 HydrophobicContact CD1-CD2 3.95Å; L182-L213 HydrophobicContact CD1-CG 4.26Å; L182-L213 HydrophobicContact CG-CD2 4.29Å; L182-Q214 PolarHBondContact N-O 2.97Å
183	N	90.5	Very high	91.2	Very high	12 Å²	12	31 Å²	31	6%	0.064	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	50.6	83.3	-179.1	-171.5	-20.5	0	0	0	113.1	N181 F185 K189 E215 D460	N181-N183 PolarHBondContact OD1-N 3.2Å; N183-F185 PolarHBondContact O-N 2.82Å; N183-K189 PolarHBondContact O-NZ 3.22Å; N183-E215 VanDerWaalsContact CA-OE2 3.3Å; N183-E215 WeakPolarHBondContact CA-OE2 3.23Å; N183-D460 WeakPolarHBondContact CB-OD1 3.4Å; N183-D460 VanDerWaalsContact ND2-CG 3.33Å; N183-D460 PolarHBondContact ND2-OD1 3.29Å
184	R	90.1	Very high	91.6	Very high	64 Å²	64	23.4 Å²	23.4	24%	0.242	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	49.2	52.9	179.1	-59.8	172.6	-75.4	-178.6	-6	113.2	N186 E215 M264 G451 S452	R184-N186 PolarHBondContact O-N 3.37Å; R184-E215 CarbonylContact C-O 3.58Å; R184-E215 WeakPolarHBondContact CA-O 3.36Å; R184-E215 PolarHBondContact N-O 3.31Å; R184-E215 PolarHBondContact N-OE2 3.08Å; R184-M264 HydrophobicContact CB-CE 3.86Å; R184-M264 HydrophobicContact CB-SD 4.49Å; R184-M264 HydrophobicContact CG-CE 3.77Å; R184-M264 HydrophobicContact CG-SD 3.95Å; R184-G451 PolarHBondContact NH2-O 3.33Å; R184-S452 VanDerWaalsContact NH2-CA 3.35Å
185	F	92.6	Very high	91.8	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	108.8	179.2	-153.7	-83.9	0	0	0	110.4	L182 N183 K189 A190 F195 V199 E215 V216 S217 V221 V458	L182-F185 HydrophobicContact CB-CB 3.58Å; L182-F185 HydrophobicContact CB-CD2 3.92Å; L182-F185 HydrophobicContact CB-CG 4.04Å; L182-F185 HydrophobicContact CD1-CB 4.08Å; L182-F185 HydrophobicContact CD1-CD1 4.49Å; L182-F185 HydrophobicContact CD1-CD2 4.08Å; L182-F185 HydrophobicContact CD1-CG 3.97Å; L182-F185 HydrophobicContact CD2-CD2 4.41Å; L182-F185 HydrophobicContact CG-CB 4.49Å; L182-F185 HydrophobicContact CG-CD2 4.4Å; N183-F185 PolarHBondContact O-N 2.82Å; F185-K189 HydrophobicContact CD1-CB 4.26Å; F185-K189 HydrophobicContact CD2-CB 4.01Å; F185-K189 HydrophobicContact CD2-CD 3.92Å; F185-K189 HydrophobicContact CE1-CB 4.23Å; F185-K189 HydrophobicContact CE2-CB 3.94Å; F185-K189 HydrophobicContact CE2-CD 4.44Å; F185-K189 HydrophobicContact CG-CB 4.19Å; F185-K189 HydrophobicContact CG-CD 4.35Å; F185-K189 HydrophobicContact CZ-CB 4.07Å; F185-A190 HydrophobicContact CE1-CB 3.83Å; F185-F195 HydrophobicContact CE2-CB 4.09Å; F185-F195 HydrophobicContact CE2-CD1 4.24Å; F185-F195 HydrophobicContact CZ-CB 4.28Å; F185-V199 HydrophobicContact CE2-CG2 3.88Å; F185-V199 HydrophobicContact CZ-CG2 4.17Å; F185-E215 PolarHBondContact N-O 2.84Å; F185-V216 WeakPolarHBondContact O-CA 3.46Å; F185-S217 PolarHBondContact O-N 2.97Å; F185-S217 PolarHBondContact O-OG 2.78Å; F185-V221 HydrophobicContact CD1-CG1 3.48Å; F185-V221 VanDerWaalsContact CD1-CG1 3.48Å; F185-V221 HydrophobicContact CD1-CG2 4.31Å; F185-V221 HydrophobicContact CE1-CG1 3.67Å; F185-V458 HydrophobicContact CE2-CG2 4.2Å
186	N	92	Very high	91.9	Very high	61 Å²	61	21.8 Å²	21.8	33%	0.326	11%	0.112	S	C	.	.			trans	-115.2	179.4	-176.4	61.8	24.4	0	0	0	110.7	R184 S188 K189 A190	R184-N186 PolarHBondContact O-N 3.37Å; N186-S188 VanDerWaalsContact C-N 3.29Å; N186-S188 PolarHBondContact O-N 3.43Å; N186-S188 WeakPolarHBondContact OD1-CB 3.07Å; N186-S188 PolarHBondContact OD1-N 3.13Å; N186-K189 PolarHBondContact O-N 2.85Å; N186-K189 VanDerWaalsContact O-N 3.12Å; N186-K189 PolarHBondContact OD1-N 2.92Å; N186-A190 PolarHBondContact O-N 3.25Å
187	L	92	Very high	91.7	Very high	52 Å²	52	21.2 Å²	21.2	27%	0.272	11%	0.11	S	C	.	.	H	α-helix	trans	-57.1	-40.3	178.1	-69.9	177.5	0	0	0	113	K189 A190 E191 D218 V221 Y224	L187-K189 VanDerWaalsContact C-N 3.32Å; L187-K189 PolarHBondContact O-N 2.58Å; L187-A190 CarbonylContact O-C 3.52Å; L187-A190 WeakPolarHBondContact O-CA 3.36Å; L187-A190 WeakPolarHBondContact O-CB 3.28Å; L187-A190 PolarHBondContact O-N 3.48Å; L187-E191 WeakPolarHBondContact O-CG 3.35Å; L187-E191 PolarHBondContact O-N 3.36Å; L187-D218 HydrophobicContact CG-CB 4.1Å; L187-V221 HydrophobicContact CD2-CG2 4.02Å; L187-Y224 HydrophobicContact CD2-CD2 4.09Å; L187-Y224 HydrophobicContact CD2-CE2 3.84Å
188	S	88.1	Confident	91.4	Very high	80 Å²	80	21.2 Å²	21.2	56%	0.559	11%	0.11	S	C	*	.	H	α-helix	trans	-61.8	-37.9	176.8	177.9	0	0	0	0	112.8	N186 H192	N186-S188 VanDerWaalsContact C-N 3.29Å; N186-S188 PolarHBondContact O-N 3.43Å; N186-S188 WeakPolarHBondContact OD1-CB 3.07Å; N186-S188 PolarHBondContact OD1-N 3.13Å; S188-H192 WeakPolarHBondContact O-CB 3.11Å; S188-H192 PolarHBondContact O-N 3.05Å
189	K	90.2	Very high	91.3	Very high	14 Å²	14	21.2 Å²	21.2	6%	0.061	11%	0.11	C	C	.	.	H	α-helix	trans	-68.5	-39.4	171	-79.1	-174.3	167.8	-168.5	0	111.4	N183 F185 N186 L187 H192 F195 S452 V458	N183-K189 PolarHBondContact O-NZ 3.22Å; F185-K189 HydrophobicContact CD1-CB 4.26Å; F185-K189 HydrophobicContact CD2-CB 4.01Å; F185-K189 HydrophobicContact CD2-CD 3.92Å; F185-K189 HydrophobicContact CE1-CB 4.23Å; F185-K189 HydrophobicContact CE2-CB 3.94Å; F185-K189 HydrophobicContact CE2-CD 4.44Å; F185-K189 HydrophobicContact CG-CB 4.19Å; F185-K189 HydrophobicContact CG-CD 4.35Å; F185-K189 HydrophobicContact CZ-CB 4.07Å; N186-K189 PolarHBondContact O-N 2.85Å; N186-K189 VanDerWaalsContact O-N 3.12Å; N186-K189 PolarHBondContact OD1-N 2.92Å; L187-K189 VanDerWaalsContact C-N 3.32Å; L187-K189 PolarHBondContact O-N 2.58Å; K189-H192 PolarHBondContact O-N 2.92Å; K189-F195 HydrophobicContact CB-CB 4.47Å; K189-F195 HydrophobicContact CB-CD1 4.33Å; K189-F195 HydrophobicContact CB-CD2 4.45Å; K189-F195 HydrophobicContact CB-CG 4.19Å; K189-F195 HydrophobicContact CD-CD1 3.99Å; K189-F195 HydrophobicContact CD-CE1 3.81Å; K189-F195 HydrophobicContact CD-CZ 4.24Å; K189-F195 VanDerWaalsContact CE-CE1 3.5Å; K189-F195 HydrophobicContact CG-CD1 4.04Å; K189-F195 HydrophobicContact CG-CD2 4.23Å; K189-F195 HydrophobicContact CG-CE1 4.01Å; K189-F195 HydrophobicContact CG-CE2 4.17Å; K189-F195 HydrophobicContact CG-CG 4.18Å; K189-F195 HydrophobicContact CG-CZ 4.07Å; K189-F195 WeakPolarHBondContact O-CB 3.19Å; K189-S452 PolarHBondContact NZ-O 3.17Å; K189-V458 PolarHBondContact NZ-O 3.41Å
190	A	92	Very high	91.2	Very high	3 Å²	3	21.2 Å²	21.2	3%	0.025	11%	0.11	C	C	.	.	H	α-helix	trans	-65.4	-37.6	178.6	0	0	0	0	0	113	F185 N186 L187 H192 M196 V221 Y224	F185-A190 HydrophobicContact CE1-CB 3.83Å; N186-A190 PolarHBondContact O-N 3.25Å; L187-A190 CarbonylContact O-C 3.52Å; L187-A190 WeakPolarHBondContact O-CA 3.36Å; L187-A190 WeakPolarHBondContact O-CB 3.28Å; L187-A190 PolarHBondContact O-N 3.48Å; A190-H192 VanDerWaalsContact C-N 3.27Å; A190-H192 PolarHBondContact O-N 3.28Å; A190-M196 HydrophobicContact CB-CE 4.23Å; A190-M196 WeakPolarHBondContact O-CE 3.37Å; A190-V221 HydrophobicContact CB-CG1 4.24Å; A190-V221 HydrophobicContact CB-CG2 4.16Å; A190-Y224 HydrophobicContact CB-CG 4.22Å
191	E	88	Confident	91	Very high	97 Å²	97	21.3 Å²	21.3	45%	0.453	11%	0.11	S	C	.	.	H	α-helix	trans	-76	-16.4	177.4	-70.3	167.1	178.4	0	0	112.7	Q47 L187 Y224	Q47-E191 PolarHBondContact NE2-O 2.93Å; L187-E191 WeakPolarHBondContact O-CG 3.35Å; L187-E191 PolarHBondContact O-N 3.36Å; E191-Y224 HydrophobicContact CG-CD1 4.48Å; E191-Y224 HydrophobicContact CG-CE1 3.77Å; E191-Y224 PolarHBondContact OE1-OH 2.97Å; E191-Y224 VanDerWaalsContact OE1-OH 3.08Å
192	H	85.5	Confident	90.9	Very high	35 Å²	35	21.5 Å²	21.5	16%	0.162	11%	0.111	C	C	.	.	S	Bend	trans	-82.6	120.4	-177.9	-174.1	-69.5	0	0	0	111.2	S188 K189 A190 G194 F195 M196 L445	S188-H192 WeakPolarHBondContact O-CB 3.11Å; S188-H192 PolarHBondContact O-N 3.05Å; K189-H192 PolarHBondContact O-N 2.92Å; A190-H192 VanDerWaalsContact C-N 3.27Å; A190-H192 PolarHBondContact O-N 3.28Å; H192-G194 VanDerWaalsContact C-N 3.31Å; H192-G194 PolarHBondContact ND1-N 3.4Å; H192-G194 VanDerWaalsContact ND1-N 3.2Å; H192-G194 PolarHBondContact O-N 3.05Å; H192-G194 VanDerWaalsContact O-N 3.16Å; H192-F195 HydrophobicContact CB-CD2 3.82Å; H192-F195 AromaticContact CG-CD2 3.7Å; H192-F195 AromaticContact ND1-CD2 3.59Å; H192-F195 PolarHBondContact O-N 3.45Å; H192-M196 PolarHBondContact O-N 3.02Å; H192-M196 VanDerWaalsContact O-N 3.09Å; H192-L445 PolarHBondContact CE1-O 3.32Å; H192-L445 PolarHBondContact NE2-O 3.37Å
193	P	84.5	Confident	90.9	Very high	9 Å²	9	21.5 Å²	21.5	6%	0.058	11%	0.112	C	C	.	.	H	α-helix	trans	-58.7	-40.1	-170	24.2	-36.6	0	0	0	112.7	Q47 Y50 F195 M196 E197 L234 L445	Q47-P193 HydrophobicContact CG-CG 3.92Å; Y50-P193 HydrophobicContact CD1-CB 4.32Å; Y50-P193 HydrophobicContact CE1-CB 4.3Å; P193-F195 PolarHBondContact O-N 3.44Å; P193-M196 PolarHBondContact O-N 3.02Å; P193-E197 WeakPolarHBondContact O-CB 3.31Å; P193-E197 WeakPolarHBondContact O-CG 3.38Å; P193-E197 PolarHBondContact O-N 2.8Å; P193-L234 HydrophobicContact CB-CD2 3.9Å; P193-L445 HydrophobicContact CB-CD1 4.45Å; P193-L445 HydrophobicContact CG-CD1 3.86Å
194	G	83.9	Confident	91	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-65.8	-35.1	179.5	0	0	0	0	0	114.9	H192 V198 H443	H192-G194 VanDerWaalsContact C-N 3.31Å; H192-G194 PolarHBondContact ND1-N 3.4Å; H192-G194 VanDerWaalsContact ND1-N 3.2Å; H192-G194 PolarHBondContact O-N 3.05Å; H192-G194 VanDerWaalsContact O-N 3.16Å; G194-V198 WeakPolarHBondContact O-CG2 3.37Å; G194-V198 PolarHBondContact O-N 2.78Å; G194-H443 VanDerWaalsContact CA-CG 3.46Å; G194-H443 VanDerWaalsContact CA-ND1 3.31Å; G194-H443 WeakPolarHBondContact CA-ND1 3.35Å
195	F	89.5	Confident	90.9	Very high	10 Å²	10	19.4 Å²	19.4	4%	0.044	10%	0.104	C	C	.	.	H	α-helix	trans	-73.3	-45	176.3	-78.6	-85.4	0	0	0	109.6	F185 K189 H192 P193 V198 V199 I446 V458	F185-F195 HydrophobicContact CE2-CB 4.09Å; F185-F195 HydrophobicContact CE2-CD1 4.24Å; F185-F195 HydrophobicContact CZ-CB 4.28Å; K189-F195 HydrophobicContact CB-CB 4.47Å; K189-F195 HydrophobicContact CB-CD1 4.33Å; K189-F195 HydrophobicContact CB-CD2 4.45Å; K189-F195 HydrophobicContact CB-CG 4.19Å; K189-F195 HydrophobicContact CD-CD1 3.99Å; K189-F195 HydrophobicContact CD-CE1 3.81Å; K189-F195 HydrophobicContact CD-CZ 4.24Å; K189-F195 VanDerWaalsContact CE-CE1 3.5Å; K189-F195 HydrophobicContact CG-CD1 4.04Å; K189-F195 HydrophobicContact CG-CD2 4.23Å; K189-F195 HydrophobicContact CG-CE1 4.01Å; K189-F195 HydrophobicContact CG-CE2 4.17Å; K189-F195 HydrophobicContact CG-CG 4.18Å; K189-F195 HydrophobicContact CG-CZ 4.07Å; K189-F195 WeakPolarHBondContact O-CB 3.19Å; H192-F195 HydrophobicContact CB-CD2 3.82Å; H192-F195 AromaticContact CG-CD2 3.7Å; H192-F195 AromaticContact ND1-CD2 3.59Å; H192-F195 PolarHBondContact O-N 3.45Å; P193-F195 PolarHBondContact O-N 3.44Å; F195-V198 PolarHBondContact O-N 2.84Å; F195-V199 WeakPolarHBondContact O-CG2 3.06Å; F195-V199 PolarHBondContact O-N 3.48Å; F195-I446 HydrophobicContact CD1-CD1 3.96Å; F195-I446 HydrophobicContact CD1-CG1 4.29Å; F195-I446 HydrophobicContact CD2-CD1 4.34Å; F195-I446 HydrophobicContact CD2-CG1 3.82Å; F195-I446 HydrophobicContact CE1-CD1 4.11Å; F195-I446 HydrophobicContact CE1-CG1 4.25Å; F195-I446 HydrophobicContact CE1-CG2 4.03Å; F195-I446 HydrophobicContact CE2-CB 4.35Å; F195-I446 HydrophobicContact CE2-CG1 3.81Å; F195-I446 HydrophobicContact CE2-CG2 3.94Å; F195-I446 HydrophobicContact CG-CD1 4.06Å; F195-I446 HydrophobicContact CG-CG1 4.06Å; F195-I446 HydrophobicContact CZ-CB 4.35Å; F195-I446 HydrophobicContact CZ-CD1 4.39Å; F195-I446 HydrophobicContact CZ-CG1 4.03Å; F195-I446 HydrophobicContact CZ-CG2 3.51Å; F195-V458 HydrophobicContact CD1-CB 4.26Å; F195-V458 HydrophobicContact CD1-CG2 3.72Å; F195-V458 HydrophobicContact CE1-CG2 4.44Å
196	M	93.4	Very high	90.8	Very high	9 Å²	9	20.2 Å²	20.2	4%	0.044	11%	0.108	C	C	.	.	H	α-helix	trans	-59.8	-48.7	177.7	-175.7	59.2	67.8	0	0	112.1	A190 H192 P193 V198 V199 C200 L225 E228 L234	A190-M196 HydrophobicContact CB-CE 4.23Å; A190-M196 WeakPolarHBondContact O-CE 3.37Å; H192-M196 PolarHBondContact O-N 3.02Å; H192-M196 VanDerWaalsContact O-N 3.09Å; P193-M196 PolarHBondContact O-N 3.02Å; M196-V198 PolarHBondContact O-N 2.75Å; M196-V199 PolarHBondContact O-N 3.41Å; M196-C200 WeakPolarHBondContact O-CB 3.4Å; M196-C200 PolarHBondContact O-N 2.8Å; M196-C200 PolarHBondContact O-SG 3.46Å; M196-C200 PolarHBondContact SD-SG 2.76Å; M196-L225 HydrophobicContact CE-CD2 4.04Å; M196-L225 HydrophobicContact SD-CD2 3.74Å; M196-E228 HydrophobicContact CG-CB 4.17Å; M196-E228 HydrophobicContact CG-CG 3.83Å; M196-E228 HydrophobicContact SD-CB 3.81Å; M196-E228 HydrophobicContact SD-CG 4.04Å; M196-L234 HydrophobicContact CB-CD1 3.66Å; M196-L234 HydrophobicContact CG-CD1 3.43Å; M196-L234 VanDerWaalsContact CG-CD1 3.43Å
197	E	91.4	Very high	90.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59	-46.1	177.4	-77.4	-176.9	144.6	0	0	112.3	Y50 P193 L201 L234 H236 I237 H443	Y50-E197 VanDerWaalsContact OH-CD 3.31Å; Y50-E197 PolarHBondContact OH-OE1 2.98Å; Y50-E197 PolarHBondContact OH-OE2 2.94Å; P193-E197 WeakPolarHBondContact O-CB 3.31Å; P193-E197 WeakPolarHBondContact O-CG 3.38Å; P193-E197 PolarHBondContact O-N 2.8Å; E197-L201 HydrophobicContact CB-CD1 4.31Å; E197-L201 WeakPolarHBondContact O-CB 3.28Å; E197-L201 WeakPolarHBondContact O-CD1 3.33Å; E197-L201 WeakPolarHBondContact O-CG 3.24Å; E197-L201 PolarHBondContact O-N 3.34Å; E197-L234 HydrophobicContact CG-CB 3.77Å; E197-L234 HydrophobicContact CG-CD1 3.69Å; E197-L234 HydrophobicContact CG-CG 4.29Å; E197-H236 WeakPolarHBondContact OE1-CB 3.37Å; E197-H236 IonicContact OE1-CG 3.45Å; E197-H236 PolarHBondContact OE1-N 2.81Å; E197-H236 IonicContact OE1-ND1 3.51Å; E197-H236 PolarHBondContact OE1-ND1 3.15Å; E197-H236 IonicContact OE2-ND1 3.68Å; E197-H236 PolarHBondContact OE2-ND1 2.74Å; E197-I237 HydrophobicContact CG-CD1 4.23Å; E197-I237 HydrophobicContact CG-CG1 4.18Å; E197-H443 IonicContact OE2-CD2 3.93Å; E197-H443 IonicContact OE2-CE1 3.48Å; E197-H443 IonicContact OE2-NE2 2.85Å; E197-H443 PolarHBondContact OE2-NE2 2.69Å
198	V	91.9	Very high	90.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.6	-47.8	178.1	168.8	0	0	0	0	111.2	L161 W180 G194 F195 M196 T202 H443 I446 V458	L161-V198 HydrophobicContact CD2-CG2 4.07Å; W180-V198 HydrophobicContact CH2-CG1 4.46Å; G194-V198 WeakPolarHBondContact O-CG2 3.37Å; G194-V198 PolarHBondContact O-N 2.78Å; F195-V198 PolarHBondContact O-N 2.84Å; M196-V198 PolarHBondContact O-N 2.75Å; V198-T202 WeakPolarHBondContact O-CB 3.37Å; V198-T202 PolarHBondContact O-N 3.44Å; V198-T202 PolarHBondContact O-OG1 3.08Å; V198-H443 HydrophobicContact CG2-CB 3.7Å; V198-I446 HydrophobicContact CG2-CD1 4.43Å; V198-V458 HydrophobicContact CB-CB 4.41Å; V198-V458 HydrophobicContact CG1-CB 3.81Å; V198-V458 HydrophobicContact CG1-CG1 3.71Å; V198-V458 HydrophobicContact CG1-CG2 4.32Å
199	V	95.5	Very high	91.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63.8	-52.5	-177.9	175.1	0	0	0	0	110.8	W180 L182 F185 F195 M196 T202 I203 L225 V458	W180-V199 HydrophobicContact CH2-CG2 4.13Å; W180-V199 HydrophobicContact CZ3-CB 4.26Å; W180-V199 HydrophobicContact CZ3-CG1 4.11Å; W180-V199 HydrophobicContact CZ3-CG2 4.03Å; L182-V199 HydrophobicContact CD2-CG2 3.98Å; F185-V199 HydrophobicContact CE2-CG2 3.88Å; F185-V199 HydrophobicContact CZ-CG2 4.17Å; F195-V199 WeakPolarHBondContact O-CG2 3.06Å; F195-V199 PolarHBondContact O-N 3.48Å; M196-V199 PolarHBondContact O-N 3.41Å; V199-T202 PolarHBondContact O-N 3.42Å; V199-I203 HydrophobicContact CG1-CD1 4.03Å; V199-I203 WeakPolarHBondContact O-CG1 3.32Å; V199-I203 PolarHBondContact O-N 3.25Å; V199-I203 VanDerWaalsContact O-N 3.1Å; V199-L225 HydrophobicContact CB-CD2 4.21Å; V199-L225 HydrophobicContact CG1-CD2 3.61Å; V199-V458 HydrophobicContact CG2-CG2 3.68Å
200	C	96	Very high	91.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66.5	-43.4	-177	-68.5	0	0	0	0	112.3	M196 T202 I203 L204 L229 I237	M196-C200 WeakPolarHBondContact O-CB 3.4Å; M196-C200 PolarHBondContact O-N 2.8Å; M196-C200 PolarHBondContact O-SG 3.46Å; M196-C200 PolarHBondContact SD-SG 2.76Å; C200-T202 VanDerWaalsContact C-N 3.31Å; C200-T202 PolarHBondContact O-N 3.41Å; C200-I203 PolarHBondContact O-N 3.2Å; C200-L204 WeakPolarHBondContact O-CB 3.34Å; C200-L204 VanDerWaalsContact O-CG 3.27Å; C200-L204 WeakPolarHBondContact O-CG 3.34Å; C200-L204 PolarHBondContact O-N 3.29Å; C200-L229 HydrophobicContact CB-CD2 3.8Å; C200-L229 HydrophobicContact CB-CG 4.34Å; C200-I237 HydrophobicContact CB-CD1 3.4Å; C200-I237 VanDerWaalsContact CB-CD1 3.4Å; C200-I237 HydrophobicContact CB-CG1 4.16Å
201	L	93.2	Very high	91.8	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-66.8	-33.6	176.8	-70.4	168.5	0	0	0	112	E197 L204 R205 H236 I237 W240	E197-L201 HydrophobicContact CB-CD1 4.31Å; E197-L201 WeakPolarHBondContact O-CB 3.28Å; E197-L201 WeakPolarHBondContact O-CD1 3.33Å; E197-L201 WeakPolarHBondContact O-CG 3.24Å; E197-L201 PolarHBondContact O-N 3.34Å; L201-L204 PolarHBondContact O-N 3.1Å; L201-R205 VanDerWaalsContact CB-NH1 3.26Å; L201-R205 WeakPolarHBondContact O-CB 3.43Å; L201-R205 WeakPolarHBondContact O-CG 3.24Å; L201-R205 PolarHBondContact O-N 3.13Å; L201-H236 HydrophobicContact CD1-CB 3.92Å; L201-I237 HydrophobicContact CD2-CG1 4.14Å; L201-I237 HydrophobicContact CG-CG1 3.93Å; L201-W240 HydrophobicContact CD2-CB 3.75Å; L201-W240 HydrophobicContact CD2-CG 3.99Å
202	T	94.1	Very high	92.3	Very high	4 Å²	4	9.1 Å²	9.1	3%	0.025	5%	0.046	C	C	.	.	H	α-helix	trans	-61	-47.8	174	-64.4	0	0	0	0	110.4	W180 V198 V199 C200 M206 I437 L441 P463	W180-T202 HydrophobicContact CH2-CG2 4.33Å; W180-T202 HydrophobicContact CZ3-CG2 4.15Å; V198-T202 WeakPolarHBondContact O-CB 3.37Å; V198-T202 PolarHBondContact O-N 3.44Å; V198-T202 PolarHBondContact O-OG1 3.08Å; V199-T202 PolarHBondContact O-N 3.42Å; C200-T202 VanDerWaalsContact C-N 3.31Å; C200-T202 PolarHBondContact O-N 3.41Å; T202-M206 VanDerWaalsContact O-CB 3.23Å; T202-M206 WeakPolarHBondContact O-CB 3.32Å; T202-M206 VanDerWaalsContact O-CG 3.29Å; T202-M206 WeakPolarHBondContact O-CG 3.16Å; T202-M206 PolarHBondContact O-N 2.71Å; T202-M206 VanDerWaalsContact O-N 3.12Å; T202-I437 HydrophobicContact CG2-CD1 4.25Å; T202-I437 HydrophobicContact CG2-CG2 4.16Å; T202-L441 HydrophobicContact CG2-CD2 4.41Å; T202-P463 HydrophobicContact CG2-CG 3.79Å
203	I	95	Very high	92.9	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-59.6	-51.3	177.3	-70.4	166.4	0	0	0	111	V199 C200 N207 V208 I211 L229 W252 L274	V199-I203 HydrophobicContact CG1-CD1 4.03Å; V199-I203 WeakPolarHBondContact O-CG1 3.32Å; V199-I203 PolarHBondContact O-N 3.25Å; V199-I203 VanDerWaalsContact O-N 3.1Å; C200-I203 PolarHBondContact O-N 3.2Å; I203-N207 PolarHBondContact O-N 2.56Å; I203-V208 HydrophobicContact CG2-CB 4.35Å; I203-V208 PolarHBondContact O-N 3.37Å; I203-I211 HydrophobicContact CD1-CG2 4.27Å; I203-I211 HydrophobicContact CG1-CD1 4.33Å; I203-L229 HydrophobicContact CB-CD2 4.48Å; I203-L229 HydrophobicContact CD1-CD1 4.14Å; I203-L229 HydrophobicContact CG2-CD1 4.4Å; I203-L229 HydrophobicContact CG2-CD2 4.25Å; I203-W252 HydrophobicContact CG2-CH2 3.22Å; I203-W252 HydrophobicContact CG2-CZ2 3.29Å; I203-W252 HydrophobicContact CG2-CZ3 4.12Å; I203-L274 HydrophobicContact CD1-CD2 3.75Å
204	L	92	Very high	93.5	Very high	12 Å²	12	7.1 Å²	7.1	6%	0.063	4%	0.036	C	C	.	.	H	α-helix	trans	-66.5	-51.3	-176.2	-71.7	174.1	0	0	0	112.3	C200 L201 M206 N207 L229 I237 W240 V241	C200-L204 WeakPolarHBondContact O-CB 3.34Å; C200-L204 VanDerWaalsContact O-CG 3.27Å; C200-L204 WeakPolarHBondContact O-CG 3.34Å; C200-L204 PolarHBondContact O-N 3.29Å; L201-L204 PolarHBondContact O-N 3.1Å; L204-M206 VanDerWaalsContact C-N 3.26Å; L204-M206 PolarHBondContact O-N 3.39Å; L204-N207 PolarHBondContact O-N 3.43Å; L204-L229 HydrophobicContact CD1-CD2 4.13Å; L204-L229 HydrophobicContact CD2-CD2 4.03Å; L204-L229 HydrophobicContact CG-CD2 3.78Å; L204-I237 HydrophobicContact CD1-CG2 3.74Å; L204-W240 HydrophobicContact CB-CD2 4.41Å; L204-W240 HydrophobicContact CB-CE3 3.89Å; L204-W240 HydrophobicContact CB-CH2 3.86Å; L204-W240 HydrophobicContact CB-CZ2 4.36Å; L204-W240 HydrophobicContact CB-CZ3 3.62Å; L204-W240 HydrophobicContact CD1-CE3 4Å; L204-W240 HydrophobicContact CD1-CZ3 4.23Å; L204-W240 HydrophobicContact CD2-CZ3 4.15Å; L204-W240 HydrophobicContact CG-CE3 4.42Å; L204-W240 HydrophobicContact CG-CZ3 4.21Å; L204-W240 WeakPolarHBondContact O-CH2 3.47Å; L204-V241 HydrophobicContact CD1-CG2 4.09Å
205	R	88.6	Confident	94	Very high	20 Å²	20	8.4 Å²	8.4	8%	0.075	4%	0.042	C	C	.	.	H	α-helix	trans	-63.7	-34.3	-178.1	-71.8	-178.8	173	132.9	-17.6	112.2	L161 D162 P163 P166 L201 N207 W240	L161-R205 PolarHBondContact O-NH1 3.34Å; L161-R205 PolarHBondContact O-NH2 3.45Å; D162-R205 IonicContact OD1-CZ 2.62Å; D162-R205 IonicContact OD1-NE 3.5Å; D162-R205 IonicContact OD1-NH2 3.58Å; D162-R205 PolarHBondContact OD1-NH2 2.93Å; P163-R205 HydrophobicContact CG-CB 3.85Å; P163-R205 HydrophobicContact CG-CG 4.36Å; P166-R205 WeakPolarHBondContact CD-O 3.5Å; P166-R205 WeakPolarHBondContact CG-O 3.31Å; L201-R205 VanDerWaalsContact CB-NH1 3.26Å; L201-R205 WeakPolarHBondContact O-CB 3.43Å; L201-R205 WeakPolarHBondContact O-CG 3.24Å; L201-R205 PolarHBondContact O-N 3.13Å; R205-N207 VanDerWaalsContact C-N 3.26Å; R205-W240 HydrophobicContact CG-CZ2 4.17Å; R205-W240 VanDerWaalsContact CG-NE1 3.32Å
206	M	89.9	Confident	94.3	Very high	16 Å²	16	8 Å²	8	8%	0.079	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	0.9	177.7	-63.2	-59.6	-52.1	0	0	113	P163 R176 T202 L204 V208 I437	P163-M206 HydrophobicContact CB-SD 4.36Å; R176-M206 WeakPolarHBondContact CD-O 3.49Å; R176-M206 PolarHBondContact NH1-O 3.47Å; T202-M206 VanDerWaalsContact O-CB 3.23Å; T202-M206 WeakPolarHBondContact O-CB 3.32Å; T202-M206 VanDerWaalsContact O-CG 3.29Å; T202-M206 WeakPolarHBondContact O-CG 3.16Å; T202-M206 PolarHBondContact O-N 2.71Å; T202-M206 VanDerWaalsContact O-N 3.12Å; L204-M206 VanDerWaalsContact C-N 3.26Å; L204-M206 PolarHBondContact O-N 3.39Å; M206-V208 HydrophobicContact CB-CG2 3.94Å; M206-V208 PolarHBondContact O-N 2.74Å; M206-I437 HydrophobicContact CB-CD1 4.07Å; M206-I437 HydrophobicContact CE-CD1 4.26Å; M206-I437 HydrophobicContact CE-CG1 3.86Å; M206-I437 HydrophobicContact CG-CD1 3.58Å; M206-I437 HydrophobicContact CG-CG1 3.83Å; M206-I437 HydrophobicContact CG-CG2 4.28Å; M206-I437 HydrophobicContact SD-CD1 4.45Å; M206-I437 HydrophobicContact SD-CG1 4.07Å
207	N	90.2	Very high	94.4	Very high	62 Å²	62	8.5 Å²	8.5	33%	0.332	5%	0.045	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	37.6	-175.7	-164.4	47.1	0	0	0	112.8	I168 R176 I203 L204 R205 S209	I168-N207 HydrophobicContact CD1-CB 3.39Å; I168-N207 WeakPolarHBondContact CD1-ND2 3.33Å; R176-N207 WeakPolarHBondContact CB-O 3.49Å; I203-N207 PolarHBondContact O-N 2.56Å; L204-N207 PolarHBondContact O-N 3.43Å; R205-N207 VanDerWaalsContact C-N 3.26Å; N207-S209 PolarHBondContact O-N 3.11Å
208	V	94.2	Very high	94.4	Very high	7 Å²	7	10.8 Å²	10.8	4%	0.042	6%	0.057	C	C	.	.			trans	-65.7	131.8	174.9	179.3	0	0	0	0	107.4	R176 I203 M206 L210 I211 W252	R176-V208 HydrophobicContact CG-CG2 4.26Å; I203-V208 HydrophobicContact CG2-CB 4.35Å; I203-V208 PolarHBondContact O-N 3.37Å; M206-V208 HydrophobicContact CB-CG2 3.94Å; M206-V208 PolarHBondContact O-N 2.74Å; V208-L210 WeakPolarHBondContact CG1-O 3.4Å; V208-I211 HydrophobicContact CG1-CB 3.86Å; V208-W252 WeakPolarHBondContact O-CH2 3.34Å; V208-W252 VanDerWaalsContact O-CZ2 3.32Å; V208-W252 WeakPolarHBondContact O-CZ2 3.42Å
209	S	95	Very high	94.5	Very high	4 Å²	4	12.7 Å²	12.7	3%	0.028	7%	0.07	C	C	.	.	S	Bend	trans	-104.1	-22.3	180	-63.1	0	0	0	0	112.1	R176 N207 Y275 N276 I281	R176-S209 PolarHBondContact O-N 3.13Å; N207-S209 PolarHBondContact O-N 3.11Å; S209-Y275 CarbonylContact O-C 3.49Å; S209-Y275 WeakPolarHBondContact O-CA 3.23Å; S209-N276 PolarHBondContact O-N 2.93Å; S209-I281 WeakPolarHBondContact O-CD1 3.09Å
210	L	97.7	Very high	94.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	131	177.3	165.7	66.8	0	0	0	108.5	R176 I177 G178 V208 L212 L274 I281 I283 L321	R176-L210 PolarHBondContact O-N 3.18Å; I177-L210 CarbonylContact C-O 3.02Å; I177-L210 VanDerWaalsContact CA-O 3.27Å; I177-L210 WeakPolarHBondContact CA-O 3.3Å; I177-L210 HydrophobicContact CD1-CD2 4.05Å; I177-L210 HydrophobicContact CG1-CB 4.45Å; I177-L210 HydrophobicContact CG1-CD2 4.06Å; I177-L210 HydrophobicContact CG2-CD2 4.09Å; I177-L210 HydrophobicContact CG2-CG 4.23Å; G178-L210 PolarHBondContact N-O 3.1Å; V208-L210 WeakPolarHBondContact CG1-O 3.4Å; L210-L212 HydrophobicContact CG-CD1 4.47Å; L210-L274 CarbonylContact C-O 3.38Å; L210-L274 WeakPolarHBondContact CA-O 3.35Å; L210-I281 HydrophobicContact CB-CD1 4.12Å; L210-I283 HydrophobicContact CD1-CD1 4.08Å; L210-L321 HydrophobicContact CD1-CD1 4.14Å; L210-L321 HydrophobicContact CD2-CD1 3.47Å; L210-L321 VanDerWaalsContact CD2-CD1 3.47Å; L210-L321 HydrophobicContact CD2-CD2 4.28Å; L210-L321 HydrophobicContact CG-CD1 4.33Å
211	I	98.5	Very high	94.5	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.01	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	135.5	177.5	-166	167.3	0	0	0	111.4	G178 W180 I203 V208 L213 L274	G178-I211 WeakPolarHBondContact O-CA 3.42Å; W180-I211 HydrophobicContact CB-CD1 4.2Å; W180-I211 HydrophobicContact CE3-CD1 4.32Å; I203-I211 HydrophobicContact CD1-CG2 4.27Å; I203-I211 HydrophobicContact CG1-CD1 4.33Å; V208-I211 HydrophobicContact CG1-CB 3.86Å; I211-L213 HydrophobicContact CD1-CD2 3.89Å; I211-L213 HydrophobicContact CG1-CD2 3.83Å; I211-L213 HydrophobicContact CG2-CD2 4.1Å; I211-L213 HydrophobicContact CG2-CG 4.36Å; I211-L274 HydrophobicContact CG2-CB 3.76Å; I211-L274 HydrophobicContact CG2-CD2 4.1Å; I211-L274 HydrophobicContact CG2-CG 4.28Å; I211-L274 PolarHBondContact N-O 2.71Å; I211-L274 PolarHBondContact O-N 3.03Å
212	L	98.6	Very high	94.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	121.6	173.3	-69.5	73.2	0	0	0	108.4	I177 G178 S179 W180 L210 Q214 F273 A366	I177-L212 HydrophobicContact CG2-CD1 4.17Å; G178-L212 PolarHBondContact O-N 3.29Å; S179-L212 CarbonylContact C-O 3.4Å; S179-L212 VanDerWaalsContact CA-O 3.28Å; S179-L212 WeakPolarHBondContact CA-O 3.32Å; S179-L212 PolarHBondContact OG-O 2.99Å; W180-L212 PolarHBondContact N-O 2.6Å; L210-L212 HydrophobicContact CG-CD1 4.47Å; L212-Q214 PolarHBondContact O-NE2 2.66Å; L212-F273 HydrophobicContact CD1-CD1 4.33Å; L212-F273 HydrophobicContact CD2-CD1 4.17Å; L212-F273 HydrophobicContact CD2-CE1 3.64Å; L212-F273 HydrophobicContact CG-CD1 3.68Å; L212-F273 HydrophobicContact CG-CE1 3.68Å; L212-A366 HydrophobicContact CD2-CB 4.28Å
213	L	98.3	Very high	94.9	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	128.7	-178.4	-52.3	175.1	0	0	0	110.3	W180 L182 I211 V216 L225 V272	W180-L213 HydrophobicContact CB-CD2 4.05Å; W180-L213 WeakPolarHBondContact O-CA 3.29Å; L182-L213 HydrophobicContact CD1-CB 4.21Å; L182-L213 HydrophobicContact CD1-CD1 3.95Å; L182-L213 HydrophobicContact CD1-CD2 3.95Å; L182-L213 HydrophobicContact CD1-CG 4.26Å; L182-L213 HydrophobicContact CG-CD2 4.29Å; I211-L213 HydrophobicContact CD1-CD2 3.89Å; I211-L213 HydrophobicContact CG1-CD2 3.83Å; I211-L213 HydrophobicContact CG2-CD2 4.1Å; I211-L213 HydrophobicContact CG2-CG 4.36Å; L213-V216 HydrophobicContact CB-CG2 3.94Å; L213-L225 HydrophobicContact CD1-CD1 3.84Å; L213-V272 HydrophobicContact CB-CB 4.19Å; L213-V272 HydrophobicContact CD1-CB 4.46Å; L213-V272 HydrophobicContact CD1-CG1 4.29Å; L213-V272 PolarHBondContact N-O 2.95Å; L213-V272 PolarHBondContact O-N 2.88Å
214	Q	96.8	Very high	95	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	162.8	174.7	-59.4	81.1	47.6	0	0	111	S179 W180 N181 L182 L212 V216 S323 H325	S179-Q214 PolarHBondContact OG-NE2 3.07Å; S179-Q214 PolarHBondContact OG-OE1 2.82Å; S179-Q214 VanDerWaalsContact OG-OE1 3.08Å; W180-Q214 PolarHBondContact O-N 3.46Å; W180-Q214 PolarHBondContact O-OE1 3.37Å; N181-Q214 HydrophobicContact CB-CB 4.25Å; L182-Q214 PolarHBondContact N-O 2.97Å; L212-Q214 PolarHBondContact O-NE2 2.66Å; Q214-V216 VanDerWaalsContact C-N 3.26Å; Q214-V216 PolarHBondContact O-N 3.2Å; Q214-S323 PolarHBondContact NE2-OG 3.25Å; Q214-S323 VanDerWaalsContact NE2-OG 3.08Å; Q214-H325 HydrophobicContact CB-CB 4.42Å; Q214-H325 HydrophobicContact CG-CB 4.3Å
215	E	94.7	Very high	95.3	Very high	28 Å²	28	23.8 Å²	23.8	13%	0.131	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55	34.3	-173.8	-62.3	-162.6	-161.3	0	0	115.2	N181 N183 R184 F185 E269 H325	N181-E215 PolarHBondContact ND2-OE1 2.77Å; N181-E215 WeakPolarHBondContact OD1-CB 3.22Å; N181-E215 WeakPolarHBondContact OD1-CG 3.29Å; N181-E215 PolarHBondContact OD1-OE1 3.27Å; N183-E215 VanDerWaalsContact CA-OE2 3.3Å; N183-E215 WeakPolarHBondContact CA-OE2 3.23Å; R184-E215 CarbonylContact C-O 3.58Å; R184-E215 WeakPolarHBondContact CA-O 3.36Å; R184-E215 PolarHBondContact N-O 3.31Å; R184-E215 PolarHBondContact N-OE2 3.08Å; F185-E215 PolarHBondContact N-O 2.84Å; E215-E269 PolarHBondContact N-OE1 3.44Å; E215-H325 VanDerWaalsContact CG-CE1 3.42Å; E215-H325 WeakPolarHBondContact CG-CE1 3.31Å; E215-H325 IonicContact OE1-CE1 3.58Å; E215-H325 PolarHBondContact OE1-CE1 3.09Å; E215-H325 IonicContact OE1-NE2 3.33Å
216	V	96.3	Very high	95.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	126.3	168.4	-179.3	0	0	0	0	108.9	F185 L213 Q214 D218 V221 E269 Y270 V272	F185-V216 WeakPolarHBondContact O-CA 3.46Å; L213-V216 HydrophobicContact CB-CG2 3.94Å; Q214-V216 VanDerWaalsContact C-N 3.26Å; Q214-V216 PolarHBondContact O-N 3.2Å; V216-D218 WeakPolarHBondContact CG1-O 3.23Å; V216-V221 HydrophobicContact CG1-CB 4.05Å; V216-V221 HydrophobicContact CG1-CG1 4.29Å; V216-V221 HydrophobicContact CG1-CG2 4.32Å; V216-E269 CarbonylContact O-C 3.47Å; V216-E269 WeakPolarHBondContact O-CA 3.17Å; V216-Y270 PolarHBondContact O-N 2.89Å; V216-V272 HydrophobicContact CB-CG2 3.97Å; V216-V272 HydrophobicContact CG1-CG2 3.9Å; V216-V272 HydrophobicContact CG2-CB 4.37Å; V216-V272 HydrophobicContact CG2-CG2 3.93Å
217	S	93.9	Very high	96.1	Very high	21 Å²	21	27.1 Å²	27.1	15%	0.147	15%	0.147	C	C	.	.	S	Bend	trans	-85.8	-25.6	-172.7	-40.6	0	0	0	0	113.5	F185 M264 K268	F185-S217 PolarHBondContact O-N 2.97Å; F185-S217 PolarHBondContact O-OG 2.78Å; S217-M264 VanDerWaalsContact CB-CE 3.44Å; S217-M264 WeakPolarHBondContact OG-CE 3.44Å; S217-K268 WeakPolarHBondContact CA-O 2.96Å
218	D	93	Very high	96.4	Very high	48 Å²	48	24.8 Å²	24.8	26%	0.257	13%	0.134	S	C	.	.			trans	-143.4	122.9	-173.9	-168	-52.7	0	0	0	108.3	L187 V216 S220 V221	L187-D218 HydrophobicContact CG-CB 4.1Å; V216-D218 WeakPolarHBondContact CG1-O 3.23Å; D218-S220 PolarHBondContact O-N 2.84Å; D218-S220 WeakPolarHBondContact OD1-CB 3.37Å; D218-S220 PolarHBondContact OD1-N 3.44Å; D218-S220 PolarHBondContact OD1-OG 3.5Å; D218-V221 HydrophobicContact CB-CG2 4.35Å; D218-V221 VanDerWaalsContact O-CB 3.29Å; D218-V221 WeakPolarHBondContact O-CB 3.34Å; D218-V221 VanDerWaalsContact O-CG2 3.29Å; D218-V221 WeakPolarHBondContact O-CG2 3.22Å; D218-V221 PolarHBondContact O-N 2.93Å
219	P	94	Very high	96.6	Very high	40 Å²	40	24.6 Å²	24.6	26%	0.26	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-22.1	-178.1	27.1	-34.8	0	0	0	113.1	V221 A222 C256 Y270	P219-V221 PolarHBondContact O-N 3.29Å; P219-A222 VanDerWaalsContact O-CB 3.26Å; P219-A222 WeakPolarHBondContact O-CB 3.31Å; P219-A222 PolarHBondContact O-N 2.79Å; P219-A222 VanDerWaalsContact O-N 3.09Å; P219-C256 HydrophobicContact CB-CB 4.03Å; P219-Y270 HydrophobicContact CB-CD1 4.27Å; P219-Y270 HydrophobicContact CB-CG 4.44Å; P219-Y270 HydrophobicContact CG-CD1 4.18Å; P219-Y270 HydrophobicContact CG-CE1 4.13Å; P219-Y270 HydrophobicContact CG-CG 4.48Å
220	S	95.7	Very high	96.6	Very high	53 Å²	53	25.7 Å²	25.7	37%	0.371	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.9	179.8	-34.8	0	0	0	0	112.5	D218 A222 D223	D218-S220 PolarHBondContact O-N 2.84Å; D218-S220 WeakPolarHBondContact OD1-CB 3.37Å; D218-S220 PolarHBondContact OD1-N 3.44Å; D218-S220 PolarHBondContact OD1-OG 3.5Å; S220-A222 PolarHBondContact O-N 2.89Å; S220-A222 VanDerWaalsContact O-N 3.16Å; S220-D223 PolarHBondContact O-N 3.34Å; S220-D223 VanDerWaalsContact O-N 3.14Å
221	V	95.8	Very high	96.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	17%	0.17	C	C	.	.	H	α-helix	trans	-51.8	-34.4	167.9	164.9	0	0	0	0	111.7	F185 L187 A190 V216 D218 P219 D223 Y224 L225	F185-V221 HydrophobicContact CD1-CG1 3.48Å; F185-V221 VanDerWaalsContact CD1-CG1 3.48Å; F185-V221 HydrophobicContact CD1-CG2 4.31Å; F185-V221 HydrophobicContact CE1-CG1 3.67Å; L187-V221 HydrophobicContact CD2-CG2 4.02Å; A190-V221 HydrophobicContact CB-CG1 4.24Å; A190-V221 HydrophobicContact CB-CG2 4.16Å; V216-V221 HydrophobicContact CG1-CB 4.05Å; V216-V221 HydrophobicContact CG1-CG1 4.29Å; V216-V221 HydrophobicContact CG1-CG2 4.32Å; D218-V221 HydrophobicContact CB-CG2 4.35Å; D218-V221 VanDerWaalsContact O-CB 3.29Å; D218-V221 WeakPolarHBondContact O-CB 3.34Å; D218-V221 VanDerWaalsContact O-CG2 3.29Å; D218-V221 WeakPolarHBondContact O-CG2 3.22Å; D218-V221 PolarHBondContact O-N 2.93Å; P219-V221 PolarHBondContact O-N 3.29Å; V221-D223 PolarHBondContact O-N 3.1Å; V221-Y224 WeakPolarHBondContact O-CB 3.31Å; V221-Y224 PolarHBondContact O-N 2.93Å; V221-L225 HydrophobicContact CG1-CD1 3.94Å; V221-L225 HydrophobicContact CG1-CG 4.3Å; V221-L225 PolarHBondContact O-N 3.45Å; V221-L225 VanDerWaalsContact O-N 3.08Å
222	A	97.3	Very high	96.3	Very high	2 Å²	2	35.1 Å²	35.1	2%	0.017	18%	0.179	C	C	.	.	H	α-helix	trans	-63.6	-33	-176.9	0	0	0	0	0	112.3	P219 S220 L225 C226 A254 V272	P219-A222 VanDerWaalsContact O-CB 3.26Å; P219-A222 WeakPolarHBondContact O-CB 3.31Å; P219-A222 PolarHBondContact O-N 2.79Å; P219-A222 VanDerWaalsContact O-N 3.09Å; S220-A222 PolarHBondContact O-N 2.89Å; S220-A222 VanDerWaalsContact O-N 3.16Å; A222-L225 PolarHBondContact O-N 2.94Å; A222-C226 WeakPolarHBondContact O-CB 3.47Å; A222-C226 PolarHBondContact O-N 2.84Å; A222-C226 PolarHBondContact O-SG 2.71Å; A222-A254 HydrophobicContact CB-CB 3.52Å; A222-V272 HydrophobicContact CB-CG1 3.74Å
223	D	97.3	Very high	95.9	Very high	99 Å²	99	38.6 Å²	38.6	53%	0.529	20%	0.204	S	C	.	.	H	α-helix	trans	-69.4	-41	176.3	-65.8	-35.3	0	0	0	111.2	S220 V221 L225 C226 N227	S220-D223 PolarHBondContact O-N 3.34Å; S220-D223 VanDerWaalsContact O-N 3.14Å; V221-D223 PolarHBondContact O-N 3.1Å; D223-L225 PolarHBondContact O-N 3.22Å; D223-C226 PolarHBondContact O-N 3.34Å; D223-N227 VanDerWaalsContact O-CB 3.26Å; D223-N227 WeakPolarHBondContact O-CB 3.25Å; D223-N227 PolarHBondContact O-N 2.99Å; D223-N227 PolarHBondContact O-ND2 3.22Å
224	Y	97.6	Very high	95.4	Very high	95 Å²	95	39.5 Å²	39.5	37%	0.373	21%	0.209	S	C	.	.	H	α-helix	trans	-58.7	-47.5	173.7	-80.5	-92.9	0	0	0	111.7	L187 A190 E191 V221 N227 E228	L187-Y224 HydrophobicContact CD2-CD2 4.09Å; L187-Y224 HydrophobicContact CD2-CE2 3.84Å; A190-Y224 HydrophobicContact CB-CG 4.22Å; E191-Y224 HydrophobicContact CG-CD1 4.48Å; E191-Y224 HydrophobicContact CG-CE1 3.77Å; E191-Y224 PolarHBondContact OE1-OH 2.97Å; E191-Y224 VanDerWaalsContact OE1-OH 3.08Å; V221-Y224 WeakPolarHBondContact O-CB 3.31Å; V221-Y224 PolarHBondContact O-N 2.93Å; Y224-N227 PolarHBondContact O-N 2.75Å; Y224-E228 PolarHBondContact O-N 2.64Å
225	L	98	Very high	94.6	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-63.1	-45.2	177.5	-68.5	171.2	0	0	0	111.9	M196 V199 L213 V221 A222 D223 L229 L274	M196-L225 HydrophobicContact CE-CD2 4.04Å; M196-L225 HydrophobicContact SD-CD2 3.74Å; V199-L225 HydrophobicContact CB-CD2 4.21Å; V199-L225 HydrophobicContact CG1-CD2 3.61Å; L213-L225 HydrophobicContact CD1-CD1 3.84Å; V221-L225 HydrophobicContact CG1-CD1 3.94Å; V221-L225 HydrophobicContact CG1-CG 4.3Å; V221-L225 PolarHBondContact O-N 3.45Å; V221-L225 VanDerWaalsContact O-N 3.08Å; A222-L225 PolarHBondContact O-N 2.94Å; D223-L225 PolarHBondContact O-N 3.22Å; L225-L229 WeakPolarHBondContact O-CB 3.22Å; L225-L229 WeakPolarHBondContact O-CD1 3.35Å; L225-L229 VanDerWaalsContact O-CG 3.27Å; L225-L229 WeakPolarHBondContact O-CG 3.43Å; L225-L229 PolarHBondContact O-N 3.02Å; L225-L274 HydrophobicContact CB-CD2 4.25Å
226	C	98.2	Very high	94.1	Very high	10 Å²	10	39.8 Å²	39.8	7%	0.068	21%	0.211	C	C	.	.	H	α-helix	trans	-62.2	-43.3	177.2	-71.3	0	0	0	0	111.7	A222 D223 L229 N230 K253 L274	A222-C226 WeakPolarHBondContact O-CB 3.47Å; A222-C226 PolarHBondContact O-N 2.84Å; A222-C226 PolarHBondContact O-SG 2.71Å; D223-C226 PolarHBondContact O-N 3.34Å; C226-L229 PolarHBondContact O-N 2.83Å; C226-N230 VanDerWaalsContact O-CB 3.22Å; C226-N230 WeakPolarHBondContact O-CB 3.42Å; C226-N230 PolarHBondContact O-N 2.85Å; C226-N230 PolarHBondContact O-ND2 2.83Å; C226-K253 VanDerWaalsContact SG-C 3.54Å; C226-L274 WeakPolarHBondContact SG-CD1 3.47Å
227	N	97.5	Very high	93.7	Very high	95 Å²	95	39.8 Å²	39.8	51%	0.508	21%	0.211	S	C	.	.	H	α-helix	trans	-62.3	-48.2	-179.3	-74.3	-21	0	0	0	111	D223 Y224 N230 Y231	D223-N227 VanDerWaalsContact O-CB 3.26Å; D223-N227 WeakPolarHBondContact O-CB 3.25Å; D223-N227 PolarHBondContact O-N 2.99Å; D223-N227 PolarHBondContact O-ND2 3.22Å; Y224-N227 PolarHBondContact O-N 2.75Å; N227-N230 PolarHBondContact O-N 3.06Å; N227-Y231 WeakPolarHBondContact O-CA 3.48Å; N227-Y231 PolarHBondContact O-N 3.49Å
228	E	97	Very high	93.6	Very high	13 Å²	13	43.6 Å²	43.6	6%	0.061	23%	0.225	C	C	.	.	H	α-helix	trans	-67.2	-38	179.6	-174.6	59.7	-153.1	0	0	112.3	M196 Y224 N230 Y231 P232 S233 L234 I237	M196-E228 HydrophobicContact CG-CB 4.17Å; M196-E228 HydrophobicContact CG-CG 3.83Å; M196-E228 HydrophobicContact SD-CB 3.81Å; M196-E228 HydrophobicContact SD-CG 4.04Å; Y224-E228 PolarHBondContact O-N 2.64Å; E228-N230 PolarHBondContact O-N 3.28Å; E228-Y231 CarbonylContact O-C 3.51Å; E228-P232 VanDerWaalsContact O-CA 3.27Å; E228-P232 WeakPolarHBondContact O-CA 3.32Å; E228-P232 WeakPolarHBondContact OE1-CA 3.48Å; E228-S233 PolarHBondContact OE1-N 2.76Å; E228-S233 WeakPolarHBondContact OE2-CB 3.38Å; E228-S233 PolarHBondContact OE2-N 3.14Å; E228-S233 VanDerWaalsContact OE2-N 3.17Å; E228-S233 PolarHBondContact OE2-OG 3.03Å; E228-L234 HydrophobicContact CG-CD1 4.35Å; E228-L234 WeakPolarHBondContact OE1-CB 2.76Å; E228-L234 PolarHBondContact OE1-N 3.43Å; E228-I237 HydrophobicContact CG-CD1 3.38Å; E228-I237 VanDerWaalsContact OE1-CD1 3.32Å; E228-I237 WeakPolarHBondContact OE1-CD1 3.41Å
229	L	96.7	Very high	93.2	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-69.9	-30.1	176.8	-73.1	168.5	0	0	0	113.6	C200 I203 L204 L225 C226 W252 L274	C200-L229 HydrophobicContact CB-CD2 3.8Å; C200-L229 HydrophobicContact CB-CG 4.34Å; I203-L229 HydrophobicContact CB-CD2 4.48Å; I203-L229 HydrophobicContact CD1-CD1 4.14Å; I203-L229 HydrophobicContact CG2-CD1 4.4Å; I203-L229 HydrophobicContact CG2-CD2 4.25Å; L204-L229 HydrophobicContact CD1-CD2 4.13Å; L204-L229 HydrophobicContact CD2-CD2 4.03Å; L204-L229 HydrophobicContact CG-CD2 3.78Å; L225-L229 WeakPolarHBondContact O-CB 3.22Å; L225-L229 WeakPolarHBondContact O-CD1 3.35Å; L225-L229 VanDerWaalsContact O-CG 3.27Å; L225-L229 WeakPolarHBondContact O-CG 3.43Å; L225-L229 PolarHBondContact O-N 3.02Å; C226-L229 PolarHBondContact O-N 2.83Å; L229-W252 HydrophobicContact CB-CB 4.14Å; L229-W252 VanDerWaalsContact CB-CD1 3.43Å; L229-W252 HydrophobicContact CB-CD2 4.38Å; L229-W252 HydrophobicContact CB-CG 3.72Å; L229-W252 HydrophobicContact CD1-CB 4.41Å; L229-W252 HydrophobicContact CD1-CD2 3.75Å; L229-W252 HydrophobicContact CD1-CE3 4.12Å; L229-W252 HydrophobicContact CD1-CG 3.88Å; L229-W252 HydrophobicContact CG-CG 4.4Å; L229-L274 HydrophobicContact CD1-CD2 3.72Å; L229-L274 HydrophobicContact CD1-CG 4.42Å
230	N	96.5	Very high	92.9	Very high	27 Å²	27	44.6 Å²	44.6	14%	0.144	22%	0.22	C	C	.	.	H	α-helix	trans	-86.8	-35.6	179.2	-73	-33.9	0	0	0	112.8	C226 N227 E228 Y251 W252	C226-N230 VanDerWaalsContact O-CB 3.22Å; C226-N230 WeakPolarHBondContact O-CB 3.42Å; C226-N230 PolarHBondContact O-N 2.85Å; C226-N230 PolarHBondContact O-ND2 2.83Å; N227-N230 PolarHBondContact O-N 3.06Å; E228-N230 PolarHBondContact O-N 3.28Å; N230-Y251 VanDerWaalsContact OD1-CA 3.32Å; N230-Y251 WeakPolarHBondContact OD1-CA 3.27Å; N230-W252 PolarHBondContact ND2-O 2.67Å; N230-W252 PolarHBondContact OD1-N 3.48Å
231	Y	95.3	Very high	92.5	Very high	168 Å²	168	44.4 Å²	44.4	66%	0.659	22%	0.216	S	C	*	.	S	Bend	trans	-134.8	72.8	-176	-52.3	-73	0	0	0	109.6	N227 E228 S233	N227-Y231 WeakPolarHBondContact O-CA 3.48Å; N227-Y231 PolarHBondContact O-N 3.49Å; E228-Y231 CarbonylContact O-C 3.51Å; Y231-S233 PolarHBondContact O-N 3.26Å
232	P	94.1	Very high	92.2	Very high	33 Å²	33	50.4 Å²	50.4	21%	0.214	24%	0.244	C	C	.	.			trans	-50.2	116.4	-177.9	-30.2	36.1	0	0	0	112.5	E228 I237 K238 V241	E228-P232 VanDerWaalsContact O-CA 3.27Å; E228-P232 WeakPolarHBondContact O-CA 3.32Å; E228-P232 WeakPolarHBondContact OE1-CA 3.48Å; P232-I237 HydrophobicContact CB-CB 4.25Å; P232-I237 HydrophobicContact CB-CG2 3.69Å; P232-I237 HydrophobicContact CG-CG2 3.88Å; P232-K238 HydrophobicContact CB-CB 4.11Å; P232-V241 HydrophobicContact CG-CB 4.45Å; P232-V241 HydrophobicContact CG-CG2 3.94Å
233	S	90.7	Very high	91.6	Very high	73 Å²	73	57.7 Å²	57.7	51%	0.51	28%	0.275	S	S	.	.			trans	-104.6	-30.4	176.4	75.4	0	0	0	0	111.1	M51 E228 Y231	M51-S233 VanDerWaalsContact CE-O 3.25Å; M51-S233 WeakPolarHBondContact CE-O 3.25Å; E228-S233 PolarHBondContact OE1-N 2.76Å; E228-S233 WeakPolarHBondContact OE2-CB 3.38Å; E228-S233 PolarHBondContact OE2-N 3.14Å; E228-S233 VanDerWaalsContact OE2-N 3.17Å; E228-S233 PolarHBondContact OE2-OG 3.03Å; Y231-S233 PolarHBondContact O-N 3.26Å
234	L	87.9	Confident	91	Very high	19 Å²	19	56.2 Å²	56.2	10%	0.099	26%	0.264	C	S	.	.	S	Bend	trans	-79.1	140	-178.2	-61.9	172.3	0	0	0	111	M51 P193 M196 E197 E228 H236 I237 K238	M51-L234 HydrophobicContact SD-CD2 4.05Å; P193-L234 HydrophobicContact CB-CD2 3.9Å; M196-L234 HydrophobicContact CB-CD1 3.66Å; M196-L234 HydrophobicContact CG-CD1 3.43Å; M196-L234 VanDerWaalsContact CG-CD1 3.43Å; E197-L234 HydrophobicContact CG-CB 3.77Å; E197-L234 HydrophobicContact CG-CD1 3.69Å; E197-L234 HydrophobicContact CG-CG 4.29Å; E228-L234 HydrophobicContact CG-CD1 4.35Å; E228-L234 WeakPolarHBondContact OE1-CB 2.76Å; E228-L234 PolarHBondContact OE1-N 3.43Å; L234-H236 PolarHBondContact O-N 2.79Å; L234-I237 HydrophobicContact CB-CD1 4.12Å; L234-I237 HydrophobicContact CB-CG1 4.41Å; L234-I237 HydrophobicContact CD1-CD1 4.15Å; L234-I237 PolarHBondContact O-N 3.4Å; L234-K238 WeakPolarHBondContact O-CB 3.27Å; L234-K238 PolarHBondContact O-N 2.96Å
235	P	79.9	Confident	90.2	Very high	14 Å²	14	56.6 Å²	56.6	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-66.7	-35	-163.1	-25	40.2	0	0	0	112.8	M51 S54 R239	M51-P235 HydrophobicContact CE-CG 3.67Å; M51-P235 WeakPolarHBondContact SD-CD 3.19Å; M51-P235 HydrophobicContact SD-CG 3.58Å; M51-P235 VanDerWaalsContact SD-CG 3.58Å; S54-P235 VanDerWaalsContact CB-CB 3.48Å; P235-R239 WeakPolarHBondContact O-CB 3.26Å; P235-R239 PolarHBondContact O-N 3.33Å
236	H	83.5	Confident	89.2	Confident	20 Å²	20	60.2 Å²	60.2	9%	0.093	30%	0.298	C	S	.	.	H	α-helix	trans	-74.8	-36.8	179.4	-62.3	88.1	0	0	0	112.5	Y50 L158 E197 L201 L234 W240	Y50-H236 AromaticContact CZ-CE1 3.74Å; Y50-H236 AromaticContact CZ-ND1 3.84Å; Y50-H236 PolarHBondContact OH-CE1 3.21Å; Y50-H236 PolarHBondContact OH-ND1 2.91Å; L158-H236 WeakPolarHBondContact CD2-NE2 3.4Å; E197-H236 WeakPolarHBondContact OE1-CB 3.37Å; E197-H236 IonicContact OE1-CG 3.45Å; E197-H236 PolarHBondContact OE1-N 2.81Å; E197-H236 IonicContact OE1-ND1 3.51Å; E197-H236 PolarHBondContact OE1-ND1 3.15Å; E197-H236 IonicContact OE2-ND1 3.68Å; E197-H236 PolarHBondContact OE2-ND1 2.74Å; L201-H236 HydrophobicContact CD1-CB 3.92Å; L234-H236 PolarHBondContact O-N 2.79Å; H236-W240 VanDerWaalsContact O-CB 3.28Å; H236-W240 WeakPolarHBondContact O-CB 3.19Å; H236-W240 PolarHBondContact O-N 3.19Å
237	I	88.8	Confident	88.1	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-66	-49	174.5	-58.6	173.3	0	0	0	109.1	E197 C200 L201 L204 E228 P232 L234 R239 W240 V241	E197-I237 HydrophobicContact CG-CD1 4.23Å; E197-I237 HydrophobicContact CG-CG1 4.18Å; C200-I237 HydrophobicContact CB-CD1 3.4Å; C200-I237 VanDerWaalsContact CB-CD1 3.4Å; C200-I237 HydrophobicContact CB-CG1 4.16Å; L201-I237 HydrophobicContact CD2-CG1 4.14Å; L201-I237 HydrophobicContact CG-CG1 3.93Å; L204-I237 HydrophobicContact CD1-CG2 3.74Å; E228-I237 HydrophobicContact CG-CD1 3.38Å; E228-I237 VanDerWaalsContact OE1-CD1 3.32Å; E228-I237 WeakPolarHBondContact OE1-CD1 3.41Å; P232-I237 HydrophobicContact CB-CB 4.25Å; P232-I237 HydrophobicContact CB-CG2 3.69Å; P232-I237 HydrophobicContact CG-CG2 3.88Å; L234-I237 HydrophobicContact CB-CD1 4.12Å; L234-I237 HydrophobicContact CB-CG1 4.41Å; L234-I237 HydrophobicContact CD1-CD1 4.15Å; L234-I237 PolarHBondContact O-N 3.4Å; I237-R239 PolarHBondContact O-N 2.8Å; I237-W240 WeakPolarHBondContact O-CB 3.44Å; I237-W240 PolarHBondContact O-N 3.39Å; I237-V241 WeakPolarHBondContact O-CG2 3.49Å; I237-V241 PolarHBondContact O-N 3.31Å
238	K	90	Very high	87.2	Confident	102 Å²	102	66.5 Å²	66.5	44%	0.443	34%	0.339	S	S	.	.	H	α-helix	trans	-57.3	-51.2	177.6	-174.9	176.7	176.5	-180	0	111.8	P232 L234 W240 V241 E242	P232-K238 HydrophobicContact CB-CB 4.11Å; L234-K238 WeakPolarHBondContact O-CB 3.27Å; L234-K238 PolarHBondContact O-N 2.96Å; K238-W240 VanDerWaalsContact C-N 3.28Å; K238-W240 PolarHBondContact O-N 2.8Å; K238-V241 PolarHBondContact O-N 3.42Å; K238-E242 WeakPolarHBondContact CE-OE1 3.3Å; K238-E242 WeakPolarHBondContact O-CB 3.41Å; K238-E242 WeakPolarHBondContact O-CG 3.4Å; K238-E242 PolarHBondContact O-N 3.05Å
239	R	86.1	Confident	86.6	Confident	83 Å²	83	69.8 Å²	69.8	31%	0.313	36%	0.362	S	S	.	.	H	α-helix	trans	-58.4	-40.1	176.6	-174.6	-170.7	-75	121.6	-0.6	111.7	S54 E56 P235 I237 K243	S54-R239 PolarHBondContact O-NH2 3.02Å; E56-R239 IonicContact OE1-CZ 3.26Å; E56-R239 IonicContact OE1-NE 3.92Å; E56-R239 PolarHBondContact OE1-NE 3.27Å; E56-R239 IonicContact OE1-NH2 3.4Å; E56-R239 PolarHBondContact OE1-NH2 3.14Å; P235-R239 WeakPolarHBondContact O-CB 3.26Å; P235-R239 PolarHBondContact O-N 3.33Å; I237-R239 PolarHBondContact O-N 2.8Å; R239-K243 VanDerWaalsContact O-CB 3.26Å; R239-K243 WeakPolarHBondContact O-CB 3.28Å; R239-K243 PolarHBondContact O-N 3.3Å
240	W	87.4	Confident	86.1	Confident	26 Å²	26	70.6 Å²	70.6	10%	0.098	37%	0.368	C	S	.	.	H	α-helix	trans	-64.1	-47.9	177.7	-173.3	90.5	0	0	0	111.5	L165 L201 L204 R205 H236 I237 K238 E242 K243 F244	L165-W240 HydrophobicContact CD2-CZ2 4.47Å; L201-W240 HydrophobicContact CD2-CB 3.75Å; L201-W240 HydrophobicContact CD2-CG 3.99Å; L204-W240 HydrophobicContact CB-CD2 4.41Å; L204-W240 HydrophobicContact CB-CE3 3.89Å; L204-W240 HydrophobicContact CB-CH2 3.86Å; L204-W240 HydrophobicContact CB-CZ2 4.36Å; L204-W240 HydrophobicContact CB-CZ3 3.62Å; L204-W240 HydrophobicContact CD1-CE3 4Å; L204-W240 HydrophobicContact CD1-CZ3 4.23Å; L204-W240 HydrophobicContact CD2-CZ3 4.15Å; L204-W240 HydrophobicContact CG-CE3 4.42Å; L204-W240 HydrophobicContact CG-CZ3 4.21Å; L204-W240 WeakPolarHBondContact O-CH2 3.47Å; R205-W240 HydrophobicContact CG-CZ2 4.17Å; R205-W240 VanDerWaalsContact CG-NE1 3.32Å; H236-W240 VanDerWaalsContact O-CB 3.28Å; H236-W240 WeakPolarHBondContact O-CB 3.19Å; H236-W240 PolarHBondContact O-N 3.19Å; I237-W240 WeakPolarHBondContact O-CB 3.44Å; I237-W240 PolarHBondContact O-N 3.39Å; K238-W240 VanDerWaalsContact C-N 3.28Å; K238-W240 PolarHBondContact O-N 2.8Å; W240-E242 VanDerWaalsContact C-N 3.33Å; W240-E242 PolarHBondContact O-N 3.04Å; W240-K243 PolarHBondContact O-N 3.43Å; W240-F244 AromaticContact CD1-CD2 3.62Å; W240-F244 AromaticContact CD1-CE2 3.73Å; W240-F244 AromaticContact CD2-CD2 3.96Å; W240-F244 HydrophobicContact CD2-CD2 3.96Å; W240-F244 AromaticContact CE2-CD2 3.62Å; W240-F244 AromaticContact CG-CD2 3.97Å; W240-F244 HydrophobicContact CG-CD2 3.97Å; W240-F244 HydrophobicContact CG-CE2 4.46Å; W240-F244 HydrophobicContact CH2-CB 4.35Å; W240-F244 HydrophobicContact CZ2-CB 4.26Å; W240-F244 HydrophobicContact CZ2-CD2 4.21Å; W240-F244 HydrophobicContact CZ2-CG 4.41Å; W240-F244 AromaticContact NE1-CD2 3.35Å; W240-F244 VanDerWaalsContact NE1-CD2 3.35Å; W240-F244 AromaticContact NE1-CE2 3.56Å; W240-F244 WeakPolarHBondContact O-CD2 3.28Å; W240-F244 PolarHBondContact O-N 2.87Å
241	V	87.9	Confident	86.1	Confident	49 Å²	49	73.9 Å²	73.9	30%	0.297	38%	0.379	S	S	.	.	H	α-helix	trans	-64.3	-37.8	179.1	173.2	0	0	0	0	111.7	L204 P232 I237 K238 F244	L204-V241 HydrophobicContact CD1-CG2 4.09Å; P232-V241 HydrophobicContact CG-CB 4.45Å; P232-V241 HydrophobicContact CG-CG2 3.94Å; I237-V241 WeakPolarHBondContact O-CG2 3.49Å; I237-V241 PolarHBondContact O-N 3.31Å; K238-V241 PolarHBondContact O-N 3.42Å; V241-F244 CarbonylContact O-C 3.55Å
242	E	87.8	Confident	86.2	Confident	127 Å²	127	66.3 Å²	66.3	59%	0.593	35%	0.349	S	S	*	.	H	α-helix	trans	-66.2	-38.2	174.9	-72.9	171	172.5	0	0	112.3	K238 W240	K238-E242 WeakPolarHBondContact CE-OE1 3.3Å; K238-E242 WeakPolarHBondContact O-CB 3.41Å; K238-E242 WeakPolarHBondContact O-CG 3.4Å; K238-E242 PolarHBondContact O-N 3.05Å; W240-E242 VanDerWaalsContact C-N 3.33Å; W240-E242 PolarHBondContact O-N 3.04Å
243	K	85.3	Confident	86.4	Confident	154 Å²	154	68.7 Å²	68.7	67%	0.67	36%	0.356	S	S	*	.	H	α-helix	trans	-76	-31	179	-175	174.7	178.1	179.7	0	113.1	R239 W240 P245	R239-K243 VanDerWaalsContact O-CB 3.26Å; R239-K243 WeakPolarHBondContact O-CB 3.28Å; R239-K243 PolarHBondContact O-N 3.3Å; W240-K243 PolarHBondContact O-N 3.43Å; K243-P245 WeakPolarHBondContact O-CD 3.3Å
244	F	84.2	Confident	86.7	Confident	68 Å²	68	66.6 Å²	66.6	30%	0.298	34%	0.343	S	S	.	.	S	Bend	trans	-122.9	65.5	-178	-57.6	-74.9	0	0	0	110.7	L165 W240 V241 L246	L165-F244 HydrophobicContact CD1-CD1 4.44Å; L165-F244 HydrophobicContact CD1-CE1 3.67Å; L165-F244 HydrophobicContact CD1-CZ 3.91Å; W240-F244 AromaticContact CD1-CD2 3.62Å; W240-F244 AromaticContact CD1-CE2 3.73Å; W240-F244 AromaticContact CD2-CD2 3.96Å; W240-F244 HydrophobicContact CD2-CD2 3.96Å; W240-F244 AromaticContact CE2-CD2 3.62Å; W240-F244 AromaticContact CG-CD2 3.97Å; W240-F244 HydrophobicContact CG-CD2 3.97Å; W240-F244 HydrophobicContact CG-CE2 4.46Å; W240-F244 HydrophobicContact CH2-CB 4.35Å; W240-F244 HydrophobicContact CZ2-CB 4.26Å; W240-F244 HydrophobicContact CZ2-CD2 4.21Å; W240-F244 HydrophobicContact CZ2-CG 4.41Å; W240-F244 AromaticContact NE1-CD2 3.35Å; W240-F244 VanDerWaalsContact NE1-CD2 3.35Å; W240-F244 AromaticContact NE1-CE2 3.56Å; W240-F244 WeakPolarHBondContact O-CD2 3.28Å; W240-F244 PolarHBondContact O-N 2.87Å; V241-F244 CarbonylContact O-C 3.55Å; F244-L246 PolarHBondContact O-N 3.13Å
245	P	81	Confident	87.2	Confident	104 Å²	104	66.8 Å²	66.8	68%	0.675	35%	0.346	S	S	*	.			trans	-63.3	125.1	-177.6	26.8	-34.2	0	0	0	110.2	K243	K243-P245 WeakPolarHBondContact O-CD 3.3Å
246	L	77.4	Confident	88	Confident	77 Å²	77	67.5 Å²	67.5	40%	0.403	35%	0.351	S	S	.	.			trans	-77	141.6	171.6	-62.6	176.2	0	0	0	109.4	F244 I248 P250	F244-L246 PolarHBondContact O-N 3.13Å; L246-I248 WeakPolarHBondContact CB-O 3.32Å; L246-I248 PolarHBondContact O-N 2.8Å; L246-I248 VanDerWaalsContact O-N 3.16Å; L246-P250 HydrophobicContact CD1-CG 4.4Å
247	S	75.2	Confident	88.6	Confident	128 Å²	128	66.7 Å²	66.7	90%	0.895	35%	0.347	S	S	*	.	S	Bend	trans	-56.8	-31.7	177	55.2	0	0	0	0	112.5
248	I	77.8	Confident	88.7	Confident	108 Å²	108	74 Å²	74	55%	0.554	39%	0.385	S	S	*	.	S	Bend	trans	-127.7	121.1	171.8	-57.6	173.4	0	0	0	105.8	L246	L246-I248 WeakPolarHBondContact CB-O 3.32Å; L246-I248 PolarHBondContact O-N 2.8Å; L246-I248 VanDerWaalsContact O-N 3.16Å
249	P	84.4	Confident	88.8	Confident	82 Å²	82	75.2 Å²	75.2	53%	0.532	39%	0.392	S	S	.	.			trans	-53.9	150.4	175.7	-24.2	32.9	0	0	0	110	R278	P249-R278 VanDerWaalsContact C-NH1 3.27Å; P249-R278 VanDerWaalsContact O-CD 3.24Å; P249-R278 WeakPolarHBondContact O-CD 3.18Å; P249-R278 PolarHBondContact O-NH1 2.77Å
250	P	87.8	Confident	89.2	Confident	21 Å²	21	73.2 Å²	73.2	14%	0.136	39%	0.39	C	S	.	.			trans	-72.8	160.1	177.2	31.5	-31.3	0	0	0	110.7	L246 R278	L246-P250 HydrophobicContact CD1-CG 4.4Å; P250-R278 PolarHBondContact O-NH1 2.83Å
251	Y	95.4	Very high	89.6	Confident	96 Å²	96	72.4 Å²	72.4	38%	0.376	39%	0.388	S	S	.	.			trans	-135.7	88.1	166.2	-171.5	-131.1	0	0	0	109.9	N230 K253 N276 S277	N230-Y251 VanDerWaalsContact OD1-CA 3.32Å; N230-Y251 WeakPolarHBondContact OD1-CA 3.27Å; Y251-K253 HydrophobicContact CE1-CD 4.42Å; Y251-K253 HydrophobicContact CE1-CG 4.41Å; Y251-N276 PolarHBondContact N-OD1 3.17Å; Y251-S277 WeakPolarHBondContact CD1-OG 3.34Å; Y251-S277 PolarHBondContact O-N 2.89Å; Y251-S277 PolarHBondContact O-OG 3.35Å
252	W	97.9	Very high	89.8	Confident	8 Å²	8	70.8 Å²	70.8	3%	0.03	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	134.9	-179.5	-70.2	93.3	0	0	0	111.7	I203 V208 L229 N230 L274 Y275 N276	I203-W252 HydrophobicContact CG2-CH2 3.22Å; I203-W252 HydrophobicContact CG2-CZ2 3.29Å; I203-W252 HydrophobicContact CG2-CZ3 4.12Å; V208-W252 WeakPolarHBondContact O-CH2 3.34Å; V208-W252 VanDerWaalsContact O-CZ2 3.32Å; V208-W252 WeakPolarHBondContact O-CZ2 3.42Å; L229-W252 HydrophobicContact CB-CB 4.14Å; L229-W252 VanDerWaalsContact CB-CD1 3.43Å; L229-W252 HydrophobicContact CB-CD2 4.38Å; L229-W252 HydrophobicContact CB-CG 3.72Å; L229-W252 HydrophobicContact CD1-CB 4.41Å; L229-W252 HydrophobicContact CD1-CD2 3.75Å; L229-W252 HydrophobicContact CD1-CE3 4.12Å; L229-W252 HydrophobicContact CD1-CG 3.88Å; L229-W252 HydrophobicContact CG-CG 4.4Å; N230-W252 PolarHBondContact ND2-O 2.67Å; N230-W252 PolarHBondContact OD1-N 3.48Å; W252-L274 HydrophobicContact CB-CD1 4.49Å; W252-L274 HydrophobicContact CE3-CD1 4.02Å; W252-L274 HydrophobicContact CE3-CD2 4.32Å; W252-L274 HydrophobicContact CE3-CG 3.65Å; W252-L274 HydrophobicContact CZ3-CD2 4.41Å; W252-L274 HydrophobicContact CZ3-CG 3.89Å; W252-Y275 CarbonylContact C-O 3.58Å; W252-Y275 VanDerWaalsContact CA-O 3.3Å; W252-Y275 WeakPolarHBondContact CA-O 3.18Å; W252-N276 HydrophobicContact CD2-CB 4.21Å; W252-N276 HydrophobicContact CE3-CB 4.41Å; W252-N276 HydrophobicContact CH2-CB 4.49Å; W252-N276 HydrophobicContact CZ2-CB 4.26Å
253	K	98.1	Very high	89.7	Confident	84 Å²	84	69.2 Å²	69.2	37%	0.365	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	157.3	173.4	-65.5	-173.7	179.7	-174.8	0	108.8	C226 Y251 Y275	C226-K253 VanDerWaalsContact SG-C 3.54Å; Y251-K253 HydrophobicContact CE1-CD 4.42Å; Y251-K253 HydrophobicContact CE1-CG 4.41Å; K253-Y275 HydrophobicContact CB-CD2 4.37Å; K253-Y275 HydrophobicContact CB-CE1 4.04Å; K253-Y275 HydrophobicContact CB-CE2 3.78Å; K253-Y275 HydrophobicContact CD-CE2 4.28Å; K253-Y275 HydrophobicContact CG-CE2 4.5Å; K253-Y275 PolarHBondContact N-O 2.95Å; K253-Y275 VanDerWaalsContact O-CD1 3.3Å; K253-Y275 WeakPolarHBondContact O-CD1 3.22Å; K253-Y275 PolarHBondContact O-N 3Å
254	A	98	Very high	89.6	Confident	29 Å²	29	62.8 Å²	62.8	24%	0.24	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	156.6	173.6	0	0	0	0	0	111.9	A222 F273 L274	A222-A254 HydrophobicContact CB-CB 3.52Å; A254-F273 CarbonylContact C-O 3.55Å; A254-F273 VanDerWaalsContact CA-O 3.28Å; A254-F273 WeakPolarHBondContact CA-O 3.32Å; A254-L274 HydrophobicContact CB-CD1 4.38Å
255	S	97.7	Very high	89.2	Confident	22 Å²	22	66 Å²	66	15%	0.154	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	126.6	163.6	-64.3	0	0	0	0	107.4	F273	S255-F273 PolarHBondContact N-O 3.45Å; S255-F273 WeakPolarHBondContact O-CD2 3.09Å; S255-F273 PolarHBondContact O-N 3.5Å
256	C	97	Very high	89	Confident	29 Å²	29	72.1 Å²	72.1	20%	0.196	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	157.1	-174.2	-56.1	0	0	0	0	109.9	P219 I258 A271 V272 T286	P219-C256 HydrophobicContact CB-CB 4.03Å; C256-I258 PolarHBondContact O-N 3.23Å; C256-A271 CarbonylContact C-O 3.59Å; C256-A271 VanDerWaalsContact CA-O 3.31Å; C256-A271 WeakPolarHBondContact CA-O 3.34Å; C256-V272 HydrophobicContact CB-CG2 4.41Å; C256-T286 PolarHBondContact O-OG1 3.23Å
257	S	95.5	Very high	89.5	Confident	3 Å²	3	70.3 Å²	70.3	2%	0.021	38%	0.376	C	S	.	.			trans	-64.1	127.8	165.4	66.2	0	0	0	0	109.3	Q259 Y270 A271	S257-Q259 VanDerWaalsContact C-N 3.3Å; S257-Q259 WeakPolarHBondContact CB-O 3.44Å; S257-Q259 PolarHBondContact O-N 3.23Å; S257-Q259 PolarHBondContact OG-O 2.96Å; S257-Y270 WeakPolarHBondContact O-CD1 3.5Å; S257-A271 PolarHBondContact N-O 2.92Å; S257-A271 PolarHBondContact OG-N 3.48Å; S257-A271 VanDerWaalsContact OG-N 3.13Å
258	I	91.4	Very high	90.3	Very high	154 Å²	154	69.9 Å²	69.9	79%	0.79	36%	0.358	S	S	*	.	S	Bend	trans	-64.2	-42.2	178.3	-61.7	172.6	0	0	0	110.1	C256	C256-I258 PolarHBondContact O-N 3.23Å
259	Q	92.7	Very high	91.2	Very high	127 Å²	127	64.9 Å²	64.9	59%	0.593	33%	0.333	S	S	*	.	S	Bend	trans	-98.5	150.5	175	-66.4	178.5	6.5	0	0	109.7	S257 T261 L288	S257-Q259 VanDerWaalsContact C-N 3.3Å; S257-Q259 WeakPolarHBondContact CB-O 3.44Å; S257-Q259 PolarHBondContact O-N 3.23Å; S257-Q259 PolarHBondContact OG-O 2.96Å; Q259-T261 PolarHBondContact O-N 3.45Å; Q259-L288 HydrophobicContact CB-CD1 3.7Å; Q259-L288 HydrophobicContact CB-CG 4.48Å
260	P	94.5	Very high	91.8	Very high	41 Å²	41	62.5 Å²	62.5	27%	0.266	31%	0.313	S	S	.	.			trans	-63.2	136.7	172.9	29.9	-37	0	0	0	110.2	G262 K268 E269 Y270 L288	P260-G262 PolarHBondContact O-N 2.92Å; P260-K268 HydrophobicContact CB-CB 3.81Å; P260-K268 HydrophobicContact CB-CD 4.26Å; P260-K268 HydrophobicContact CB-CG 4.21Å; P260-K268 HydrophobicContact CG-CB 4.5Å; P260-K268 HydrophobicContact CG-CD 4.07Å; P260-K268 HydrophobicContact CG-CG 4.38Å; P260-E269 CarbonylContact C-O 3.56Å; P260-E269 VanDerWaalsContact C-O 3.31Å; P260-E269 WeakPolarHBondContact CA-O 3.17Å; P260-E269 VanDerWaalsContact CB-O 3.29Å; P260-E269 WeakPolarHBondContact CB-O 3.35Å; P260-Y270 HydrophobicContact CB-CE1 4.16Å; P260-Y270 HydrophobicContact CB-CE2 4.28Å; P260-L288 WeakPolarHBondContact O-CD1 3.41Å
261	T	94.3	Very high	92.2	Very high	10 Å²	10	61.7 Å²	61.7	6%	0.061	31%	0.308	C	S	.	.	S	Bend	trans	-63.4	-32.8	176.1	57.4	0	0	0	0	110.8	Q259 E269 A271 L288 R305 S306 C308	Q259-T261 PolarHBondContact O-N 3.45Å; T261-E269 PolarHBondContact N-O 3.17Å; T261-E269 WeakPolarHBondContact OG1-CG 3.17Å; T261-E269 PolarHBondContact OG1-O 3.44Å; T261-A271 HydrophobicContact CG2-CB 3.79Å; T261-L288 HydrophobicContact CG2-CD2 3.87Å; T261-R305 CarbonylContact O-C 3.54Å; T261-R305 VanDerWaalsContact O-CA 3.25Å; T261-R305 WeakPolarHBondContact O-CA 3.26Å; T261-S306 WeakPolarHBondContact CB-O 3.33Å; T261-S306 PolarHBondContact O-N 3.18Å; T261-S306 PolarHBondContact O-OG 2.95Å; T261-C308 HydrophobicContact CG2-CB 4.2Å
262	G	91.7	Very high	92.4	Very high	15 Å²	15	57.2 Å²	57.2	16%	0.155	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	-164.4	173.1	0	0	0	0	0	111.7	P260 E269	P260-G262 PolarHBondContact O-N 2.92Å; G262-E269 PolarHBondContact O-N 3.33Å
263	S	87.4	Confident	92.4	Very high	93 Å²	93	56.8 Å²	56.8	65%	0.65	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.7	133.7	172.8	-56.7	0	0	0	0	109.7
264	M	83.1	Confident	92.4	Very high	20 Å²	20	52.8 Å²	52.8	10%	0.099	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	179.3	159.6	58.8	-175.9	-146.5	0	0	108.3	R184 S217 R266 A267 E269	R184-M264 HydrophobicContact CB-CE 3.86Å; R184-M264 HydrophobicContact CB-SD 4.49Å; R184-M264 HydrophobicContact CG-CE 3.77Å; R184-M264 HydrophobicContact CG-SD 3.95Å; S217-M264 VanDerWaalsContact CB-CE 3.44Å; S217-M264 WeakPolarHBondContact OG-CE 3.44Å; M264-R266 PolarHBondContact O-N 3.49Å; M264-R266 VanDerWaalsContact O-N 3.15Å; M264-A267 CarbonylContact C-O 3.6Å; M264-A267 HydrophobicContact CE-CB 3.43Å; M264-A267 VanDerWaalsContact CE-CB 3.43Å; M264-A267 HydrophobicContact CG-CB 3.98Å; M264-A267 WeakPolarHBondContact CG-O 3.42Å; M264-A267 PolarHBondContact N-O 2.88Å; M264-A267 PolarHBondContact O-N 2.7Å; M264-E269 HydrophobicContact CB-CB 4.41Å; M264-E269 HydrophobicContact CG-CB 4.23Å; M264-E269 HydrophobicContact SD-CB 4.06Å
265	F	74.8	Confident	92.4	Very high	135 Å²	135	52.2 Å²	52.2	59%	0.592	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	127.2	178.2	179.4	-95.6	0	0	0	111.2	A267	F265-A267 WeakPolarHBondContact O-CB 3.3Å; F265-A267 PolarHBondContact O-N 3.39Å
266	R	77.9	Confident	92.3	Very high	233 Å²	233	52 Å²	52	88%	0.879	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	42.7	16.3	177.3	-66.7	-171.5	179.8	-179.5	-1.6	116.8	M264	M264-R266 PolarHBondContact O-N 3.49Å; M264-R266 VanDerWaalsContact O-N 3.15Å
267	A	86.4	Confident	92.2	Very high	38 Å²	38	51.8 Å²	51.8	31%	0.314	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	164.5	-172.3	0	0	0	0	0	110.1	M264 F265	M264-A267 CarbonylContact C-O 3.6Å; M264-A267 HydrophobicContact CE-CB 3.43Å; M264-A267 VanDerWaalsContact CE-CB 3.43Å; M264-A267 HydrophobicContact CG-CB 3.98Å; M264-A267 WeakPolarHBondContact CG-O 3.42Å; M264-A267 PolarHBondContact N-O 2.88Å; M264-A267 PolarHBondContact O-N 2.7Å; F265-A267 WeakPolarHBondContact O-CB 3.3Å; F265-A267 PolarHBondContact O-N 3.39Å
268	K	93.2	Very high	92.1	Very high	120 Å²	120	58 Å²	58	52%	0.522	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	151.4	175.4	-70	172.7	177.7	179.1	0	108.9	S217 P260 Y270	S217-K268 WeakPolarHBondContact CA-O 2.96Å; P260-K268 HydrophobicContact CB-CB 3.81Å; P260-K268 HydrophobicContact CB-CD 4.26Å; P260-K268 HydrophobicContact CB-CG 4.21Å; P260-K268 HydrophobicContact CG-CB 4.5Å; P260-K268 HydrophobicContact CG-CD 4.07Å; P260-K268 HydrophobicContact CG-CG 4.38Å; K268-Y270 HydrophobicContact CB-CD2 4.5Å; K268-Y270 HydrophobicContact CB-CE2 3.79Å
269	E	95.5	Very high	92	Very high	3 Å²	3	52.3 Å²	52.3	1%	0.014	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.8	173.1	-178.1	171.3	166.7	0	0	109.9	E215 V216 P260 T261 G262 M264 R305 H325	E215-E269 PolarHBondContact N-OE1 3.44Å; V216-E269 CarbonylContact O-C 3.47Å; V216-E269 WeakPolarHBondContact O-CA 3.17Å; P260-E269 CarbonylContact C-O 3.56Å; P260-E269 VanDerWaalsContact C-O 3.31Å; P260-E269 WeakPolarHBondContact CA-O 3.17Å; P260-E269 VanDerWaalsContact CB-O 3.29Å; P260-E269 WeakPolarHBondContact CB-O 3.35Å; T261-E269 PolarHBondContact N-O 3.17Å; T261-E269 WeakPolarHBondContact OG1-CG 3.17Å; T261-E269 PolarHBondContact OG1-O 3.44Å; G262-E269 PolarHBondContact O-N 3.33Å; M264-E269 HydrophobicContact CB-CB 4.41Å; M264-E269 HydrophobicContact CG-CB 4.23Å; M264-E269 HydrophobicContact SD-CB 4.06Å; E269-R305 WeakPolarHBondContact OE2-CD 3.31Å; E269-R305 IonicContact OE2-NE 3.88Å; E269-R305 IonicContact OE2-NH1 2.88Å; E269-H325 VanDerWaalsContact CD-ND1 3.29Å; E269-H325 IonicContact OE1-CE1 3.78Å; E269-H325 IonicContact OE1-CG 3.44Å; E269-H325 IonicContact OE1-ND1 2.73Å; E269-H325 PolarHBondContact OE1-ND1 3.08Å; E269-H325 IonicContact OE2-CE1 2.73Å; E269-H325 IonicContact OE2-ND1 3.51Å; E269-H325 PolarHBondContact OE2-ND1 3.16Å
270	Y	97	Very high	92	Very high	32 Å²	32	47.5 Å²	47.5	13%	0.125	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	144.7	176.2	-66.4	-96	0	0	0	109.4	V216 P219 S257 P260 K268	V216-Y270 PolarHBondContact O-N 2.89Å; P219-Y270 HydrophobicContact CB-CD1 4.27Å; P219-Y270 HydrophobicContact CB-CG 4.44Å; P219-Y270 HydrophobicContact CG-CD1 4.18Å; P219-Y270 HydrophobicContact CG-CE1 4.13Å; P219-Y270 HydrophobicContact CG-CG 4.48Å; S257-Y270 WeakPolarHBondContact O-CD1 3.5Å; P260-Y270 HydrophobicContact CB-CE1 4.16Å; P260-Y270 HydrophobicContact CB-CE2 4.28Å; K268-Y270 HydrophobicContact CB-CD2 4.5Å; K268-Y270 HydrophobicContact CB-CE2 3.79Å
271	A	97.2	Very high	92.1	Very high	3 Å²	3	45.6 Å²	45.6	3%	0.025	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	131.7	169	0	0	0	0	0	109	C256 S257 T261 F273 C308	C256-A271 CarbonylContact C-O 3.59Å; C256-A271 VanDerWaalsContact CA-O 3.31Å; C256-A271 WeakPolarHBondContact CA-O 3.34Å; S257-A271 PolarHBondContact N-O 2.92Å; S257-A271 PolarHBondContact OG-N 3.48Å; S257-A271 VanDerWaalsContact OG-N 3.13Å; T261-A271 HydrophobicContact CG2-CB 3.79Å; A271-F273 HydrophobicContact CB-CE2 4.25Å; A271-C308 HydrophobicContact CB-CB 3.54Å
272	V	98.2	Very high	92.2	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.012	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.6	178.2	178.5	0	0	0	0	109.8	L213 V216 A222 C256	L213-V272 HydrophobicContact CB-CB 4.19Å; L213-V272 HydrophobicContact CD1-CB 4.46Å; L213-V272 HydrophobicContact CD1-CG1 4.29Å; L213-V272 PolarHBondContact N-O 2.95Å; L213-V272 PolarHBondContact O-N 2.88Å; V216-V272 HydrophobicContact CB-CG2 3.97Å; V216-V272 HydrophobicContact CG1-CG2 3.9Å; V216-V272 HydrophobicContact CG2-CB 4.37Å; V216-V272 HydrophobicContact CG2-CG2 3.93Å; A222-V272 HydrophobicContact CB-CG1 3.74Å; C256-V272 HydrophobicContact CB-CG2 4.41Å
273	F	98.4	Very high	92.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	107.9	174	-58	-99.4	0	0	0	107.9	L212 A254 S255 A271 I283 T286 A310 L321	L212-F273 HydrophobicContact CD1-CD1 4.33Å; L212-F273 HydrophobicContact CD2-CD1 4.17Å; L212-F273 HydrophobicContact CD2-CE1 3.64Å; L212-F273 HydrophobicContact CG-CD1 3.68Å; L212-F273 HydrophobicContact CG-CE1 3.68Å; A254-F273 CarbonylContact C-O 3.55Å; A254-F273 VanDerWaalsContact CA-O 3.28Å; A254-F273 WeakPolarHBondContact CA-O 3.32Å; S255-F273 PolarHBondContact N-O 3.45Å; S255-F273 WeakPolarHBondContact O-CD2 3.09Å; S255-F273 PolarHBondContact O-N 3.5Å; A271-F273 HydrophobicContact CB-CE2 4.25Å; F273-I283 HydrophobicContact CB-CD1 3.54Å; F273-I283 HydrophobicContact CD1-CD1 4.4Å; F273-I283 HydrophobicContact CG-CD1 4.18Å; F273-T286 HydrophobicContact CD2-CG2 4.05Å; F273-T286 HydrophobicContact CE2-CG2 4.16Å; F273-A310 HydrophobicContact CD1-CB 3.91Å; F273-A310 HydrophobicContact CD2-CB 4.12Å; F273-A310 HydrophobicContact CE1-CB 3.66Å; F273-A310 HydrophobicContact CE2-CB 3.89Å; F273-A310 HydrophobicContact CG-CB 4.15Å; F273-A310 HydrophobicContact CZ-CB 3.65Å; F273-L321 HydrophobicContact CD1-CB 4.45Å; F273-L321 HydrophobicContact CD1-CD1 4.28Å; F273-L321 HydrophobicContact CE1-CB 3.97Å
274	L	98.2	Very high	92.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129	179.9	177.9	69	0	0	0	108.9	I203 L210 I211 L225 C226 L229 W252 A254	I203-L274 HydrophobicContact CD1-CD2 3.75Å; L210-L274 CarbonylContact C-O 3.38Å; L210-L274 WeakPolarHBondContact CA-O 3.35Å; I211-L274 HydrophobicContact CG2-CB 3.76Å; I211-L274 HydrophobicContact CG2-CD2 4.1Å; I211-L274 HydrophobicContact CG2-CG 4.28Å; I211-L274 PolarHBondContact N-O 2.71Å; I211-L274 PolarHBondContact O-N 3.03Å; L225-L274 HydrophobicContact CB-CD2 4.25Å; C226-L274 WeakPolarHBondContact SG-CD1 3.47Å; L229-L274 HydrophobicContact CD1-CD2 3.72Å; L229-L274 HydrophobicContact CD1-CG 4.42Å; W252-L274 HydrophobicContact CB-CD1 4.49Å; W252-L274 HydrophobicContact CE3-CD1 4.02Å; W252-L274 HydrophobicContact CE3-CD2 4.32Å; W252-L274 HydrophobicContact CE3-CG 3.65Å; W252-L274 HydrophobicContact CZ3-CD2 4.41Å; W252-L274 HydrophobicContact CZ3-CG 3.89Å; A254-L274 HydrophobicContact CB-CD1 4.38Å
275	Y	97.9	Very high	92.9	Very high	16 Å²	16	61.3 Å²	61.3	6%	0.063	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	145.2	-172	61.1	-84.9	0	0	0	113.8	S209 W252 K253 S277 I281 I283	S209-Y275 CarbonylContact O-C 3.49Å; S209-Y275 WeakPolarHBondContact O-CA 3.23Å; W252-Y275 CarbonylContact C-O 3.58Å; W252-Y275 VanDerWaalsContact CA-O 3.3Å; W252-Y275 WeakPolarHBondContact CA-O 3.18Å; K253-Y275 HydrophobicContact CB-CD2 4.37Å; K253-Y275 HydrophobicContact CB-CE1 4.04Å; K253-Y275 HydrophobicContact CB-CE2 3.78Å; K253-Y275 HydrophobicContact CD-CE2 4.28Å; K253-Y275 HydrophobicContact CG-CE2 4.5Å; K253-Y275 PolarHBondContact N-O 2.95Å; K253-Y275 VanDerWaalsContact O-CD1 3.3Å; K253-Y275 WeakPolarHBondContact O-CD1 3.22Å; K253-Y275 PolarHBondContact O-N 3Å; Y275-S277 PolarHBondContact O-N 3.36Å; Y275-I281 HydrophobicContact CD2-CB 4.07Å; Y275-I281 HydrophobicContact CD2-CG2 3.78Å; Y275-I281 WeakPolarHBondContact CE2-O 3.29Å; Y275-I281 HydrophobicContact CG-CG2 3.96Å; Y275-I283 HydrophobicContact CD1-CB 4.5Å; Y275-I283 HydrophobicContact CD1-CD1 3.63Å; Y275-I283 HydrophobicContact CD1-CG1 4.04Å; Y275-I283 HydrophobicContact CE1-CB 3.89Å; Y275-I283 HydrophobicContact CE1-CD1 3.87Å; Y275-I283 HydrophobicContact CE1-CG1 3.93Å; Y275-I283 HydrophobicContact CG-CD1 4.35Å
276	N	95.7	Very high	93.9	Very high	18 Å²	18	56.3 Å²	56.3	10%	0.096	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	102.7	171.7	-176.4	1.8	0	0	0	109.9	S209 Y251 W252 R278 C279	S209-N276 PolarHBondContact O-N 2.93Å; Y251-N276 PolarHBondContact N-OD1 3.17Å; W252-N276 HydrophobicContact CD2-CB 4.21Å; W252-N276 HydrophobicContact CE3-CB 4.41Å; W252-N276 HydrophobicContact CH2-CB 4.49Å; W252-N276 HydrophobicContact CZ2-CB 4.26Å; N276-R278 PolarHBondContact O-N 3.15Å; N276-R278 PolarHBondContact OD1-N 2.8Å; N276-R278 VanDerWaalsContact OD1-N 3.13Å; N276-C279 PolarHBondContact ND2-SG 3.03Å; N276-C279 VanDerWaalsContact ND2-SG 3.41Å; N276-C279 WeakPolarHBondContact O-CB 3.47Å; N276-C279 PolarHBondContact O-N 3.08Å
277	S	95.4	Very high	94.7	Very high	25 Å²	25	48.3 Å²	48.3	18%	0.175	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-65.6	-18.5	-178.4	63.8	0	0	0	0	114.1	Y251 Y275 C279 G280 I281	Y251-S277 WeakPolarHBondContact CD1-OG 3.34Å; Y251-S277 PolarHBondContact O-N 2.89Å; Y251-S277 PolarHBondContact O-OG 3.35Å; Y275-S277 PolarHBondContact O-N 3.36Å; S277-C279 PolarHBondContact O-N 2.89Å; S277-G280 PolarHBondContact O-N 3.45Å; S277-I281 WeakPolarHBondContact CA-O 3.1Å
278	R	92.4	Very high	95.1	Very high	134 Å²	134	48.4 Å²	48.4	51%	0.506	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-73.4	-15.1	172.9	-65.6	-152.1	177.6	108.2	-5.1	113.5	P249 P250 N276 G280	P249-R278 VanDerWaalsContact C-NH1 3.27Å; P249-R278 VanDerWaalsContact O-CD 3.24Å; P249-R278 WeakPolarHBondContact O-CD 3.18Å; P249-R278 PolarHBondContact O-NH1 2.77Å; P250-R278 PolarHBondContact O-NH1 2.83Å; N276-R278 PolarHBondContact O-N 3.15Å; N276-R278 PolarHBondContact OD1-N 2.8Å; N276-R278 VanDerWaalsContact OD1-N 3.13Å; R278-G280 PolarHBondContact O-N 2.92Å
279	C	90.6	Very high	95	Very high	33 Å²	33	45.7 Å²	45.7	22%	0.223	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-78.1	9.9	170	-61.4	0	0	0	0	112.8	I175 N276 S277 I281	I175-C279 HydrophobicContact CD1-CB 3.78Å; N276-C279 PolarHBondContact ND2-SG 3.03Å; N276-C279 VanDerWaalsContact ND2-SG 3.41Å; N276-C279 WeakPolarHBondContact O-CB 3.47Å; N276-C279 PolarHBondContact O-N 3.08Å; S277-C279 PolarHBondContact O-N 2.89Å; C279-I281 VanDerWaalsContact C-N 3.28Å; C279-I281 HydrophobicContact CB-CD1 3.87Å; C279-I281 HydrophobicContact CB-CG1 4.08Å; C279-I281 PolarHBondContact O-N 2.86Å
280	G	92.2	Very high	94.2	Very high	27 Å²	27	47.7 Å²	47.7	28%	0.278	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	12	-176.9	0	0	0	0	0	113.9	S277 R278 I314 Q315	S277-G280 PolarHBondContact O-N 3.45Å; R278-G280 PolarHBondContact O-N 2.92Å; G280-I314 WeakPolarHBondContact O-CA 3Å; G280-Q315 PolarHBondContact O-N 3.09Å
281	I	95.7	Very high	92.3	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	129.5	-178.4	-55.2	165.9	0	0	0	109.6	I175 S209 L210 Y275 S277 C279 H313 I314	I175-I281 HydrophobicContact CD1-CD1 4.49Å; I175-I281 HydrophobicContact CG2-CD1 3.94Å; S209-I281 WeakPolarHBondContact O-CD1 3.09Å; L210-I281 HydrophobicContact CB-CD1 4.12Å; Y275-I281 HydrophobicContact CD2-CB 4.07Å; Y275-I281 HydrophobicContact CD2-CG2 3.78Å; Y275-I281 WeakPolarHBondContact CE2-O 3.29Å; Y275-I281 HydrophobicContact CG-CG2 3.96Å; S277-I281 WeakPolarHBondContact CA-O 3.1Å; C279-I281 VanDerWaalsContact C-N 3.28Å; C279-I281 HydrophobicContact CB-CD1 3.87Å; C279-I281 HydrophobicContact CB-CG1 4.08Å; C279-I281 PolarHBondContact O-N 2.86Å; I281-H313 CarbonylContact C-O 3.5Å; I281-H313 WeakPolarHBondContact CA-O 3.43Å; I281-I314 HydrophobicContact CG1-CD1 4.47Å; I281-I314 HydrophobicContact CG1-CG1 4.19Å; I281-I314 HydrophobicContact CG1-CG2 4.16Å
282	R	97.1	Very high	90.2	Very high	184 Å²	184	60 Å²	60	69%	0.694	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136	126.5	174.9	-65.3	179.3	60.9	155.9	-1.2	109.7	C312 H313	R282-C312 CarbonylContact O-C 3.46Å; R282-C312 WeakPolarHBondContact O-CA 3.22Å; R282-H313 HydrophobicContact CB-CB 4.48Å; R282-H313 PolarHBondContact N-O 3.39Å; R282-H313 PolarHBondContact O-N 2.82Å
283	I	97.3	Very high	87.9	Confident	14 Å²	14	63.5 Å²	63.5	7%	0.072	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	123.5	171.3	-61.2	-179.6	0	0	0	107.8	L210 F273 Y275 T286 A310 S311 C312 L321	L210-I283 HydrophobicContact CD1-CD1 4.08Å; F273-I283 HydrophobicContact CB-CD1 3.54Å; F273-I283 HydrophobicContact CD1-CD1 4.4Å; F273-I283 HydrophobicContact CG-CD1 4.18Å; Y275-I283 HydrophobicContact CD1-CB 4.5Å; Y275-I283 HydrophobicContact CD1-CD1 3.63Å; Y275-I283 HydrophobicContact CD1-CG1 4.04Å; Y275-I283 HydrophobicContact CE1-CB 3.89Å; Y275-I283 HydrophobicContact CE1-CD1 3.87Å; Y275-I283 HydrophobicContact CE1-CG1 3.93Å; Y275-I283 HydrophobicContact CG-CD1 4.35Å; I283-T286 HydrophobicContact CG2-CG2 4.34Å; I283-A310 HydrophobicContact CG2-CB 3.96Å; I283-S311 WeakPolarHBondContact CA-O 3.37Å; I283-C312 HydrophobicContact CG1-CB 4.23Å; I283-L321 HydrophobicContact CD1-CD1 4.4Å
284	S	90.4	Very high	85.5	Confident	74 Å²	74	70.6 Å²	70.6	52%	0.517	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-35.3	-171.7	65.7	0	0	0	0	113.1	S311	S284-S311 PolarHBondContact N-O 2.9Å
285	R	89.8	Confident	83	Confident	197 Å²	197	74.1 Å²	74.1	74%	0.743	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.8	137.1	-175.1	-62.7	-176.4	-178.5	-161.2	-0.7	110.1	A310 S311	R285-A310 CarbonylContact O-C 3.31Å; R285-A310 VanDerWaalsContact O-CA 3.28Å; R285-A310 WeakPolarHBondContact O-CA 3.27Å; R285-S311 PolarHBondContact O-N 2.95Å
286	T	95.8	Very high	80.6	Confident	29 Å²	29	82.3 Å²	82.3	18%	0.178	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	138.3	166.4	55	0	0	0	0	108.8	C256 F273 I283 G309 A310	C256-T286 PolarHBondContact O-OG1 3.23Å; F273-T286 HydrophobicContact CD2-CG2 4.05Å; F273-T286 HydrophobicContact CE2-CG2 4.16Å; I283-T286 HydrophobicContact CG2-CG2 4.34Å; T286-G309 CarbonylContact C-O 3.49Å; T286-G309 VanDerWaalsContact CA-O 3.24Å; T286-G309 WeakPolarHBondContact CA-O 3.49Å; T286-A310 HydrophobicContact CG2-CB 4.12Å
287	S	94.4	Very high	78.3	Confident	66 Å²	66	84.9 Å²	84.9	46%	0.462	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	146.3	177.4	56.7	0	0	0	0	110.9	C308 G309	S287-C308 CarbonylContact O-C 3.47Å; S287-C308 WeakPolarHBondContact O-CA 3.27Å; S287-G309 PolarHBondContact N-O 3.5Å; S287-G309 PolarHBondContact O-N 2.5Å
288	L	94.9	Very high	76.1	Confident	40 Å²	40	90.9 Å²	90.9	21%	0.209	48%	0.484	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	134.5	168.1	-59	-174.5	0	0	0	108.7	Q259 P260 T261 E290 C308	Q259-L288 HydrophobicContact CB-CD1 3.7Å; Q259-L288 HydrophobicContact CB-CG 4.48Å; P260-L288 WeakPolarHBondContact O-CD1 3.41Å; T261-L288 HydrophobicContact CG2-CD2 3.87Å; L288-E290 VanDerWaalsContact C-N 3.32Å; L288-E290 PolarHBondContact O-N 3.39Å; L288-C308 HydrophobicContact CD2-CB 3.98Å
289	L	91.6	Very high	74.2	Confident	62 Å²	62	88.2 Å²	88.2	33%	0.325	49%	0.487	S	S	.	.			trans	-98.1	47.8	-173.3	-57	177.7	0	0	0	111.4	P307 I322 L349	L289-P307 HydrophobicContact CB-CB 4.42Å; L289-P307 PolarHBondContact N-O 3.37Å; L289-I322 HydrophobicContact CD1-CD1 3.64Å; L289-I322 HydrophobicContact CD1-CG1 4.03Å; L289-I322 HydrophobicContact CD1-CG2 4.01Å; L289-L349 HydrophobicContact CB-CD1 3.81Å; L289-L349 HydrophobicContact CD1-CD1 3.69Å; L289-L349 HydrophobicContact CD1-CD2 4.47Å; L289-L349 HydrophobicContact CD1-CG 4.25Å; L289-L349 HydrophobicContact CG-CD1 4.42Å
290	E	77.3	Confident	73.1	Confident	46 Å²	46	97.6 Å²	97.6	22%	0.215	52%	0.517	C	S	.	.	S	Bend	trans	-134.1	145.8	170.4	-74.4	-165.6	131.8	0	0	110.4	L288 S292 S302 F303 S306	L288-E290 VanDerWaalsContact C-N 3.32Å; L288-E290 PolarHBondContact O-N 3.39Å; E290-S292 PolarHBondContact O-N 3.15Å; E290-S302 PolarHBondContact OE1-N 2.89Å; E290-F303 HydrophobicContact CG-CD2 3.8Å; E290-F303 WeakPolarHBondContact OE1-CA 3.21Å; E290-F303 VanDerWaalsContact OE1-CB 3.31Å; E290-F303 WeakPolarHBondContact OE1-CB 3.37Å; E290-F303 VanDerWaalsContact OE1-CD2 3.22Å; E290-F303 WeakPolarHBondContact OE1-CD2 3.37Å; E290-F303 PolarHBondContact OE1-N 3.13Å; E290-S306 WeakPolarHBondContact OE2-CB 3.18Å; E290-S306 PolarHBondContact OE2-OG 3.05Å
291	K	58.3	Low	72.5	Confident	203 Å²	203	102.3 Å²	102.3	88%	0.883	53%	0.53	S	S	*	.			trans	-67	130.3	172.9	-72.5	-179.1	178.7	176.3	0	109	S293	K291-S293 PolarHBondContact O-N 2.92Å; K291-S293 VanDerWaalsContact O-N 3.11Å
292	S	52.7	Low	72.2	Confident	89 Å²	89	105.2 Å²	105.2	62%	0.622	55%	0.55	S	S	*	*			trans	-60.7	120.3	167.8	94.1	0	0	0	0	107.5	E290 N294	E290-S292 PolarHBondContact O-N 3.15Å; S292-N294 PolarHBondContact O-N 2.65Å; S292-N294 PolarHBondContact OG-OD1 2.84Å
293	S	50.2	Low	71.9	Confident	77 Å²	77	96.8 Å²	96.8	54%	0.538	52%	0.519	S	S	.	.			trans	-73.3	73.9	176.6	57.2	0	0	0	0	108.9	K291 S295	K291-S293 PolarHBondContact O-N 2.92Å; K291-S293 VanDerWaalsContact O-N 3.11Å; S293-S295 VanDerWaalsContact C-N 3.25Å
294	N	48.2	Very low	71.7	Confident	149 Å²	149	98.3 Å²	98.3	80%	0.797	53%	0.529	S	S	*	.			trans	-86.2	4	169.2	-74.7	5.7	0	0	0	111.8	S292	S292-N294 PolarHBondContact O-N 2.65Å; S292-N294 PolarHBondContact OG-OD1 2.84Å
295	S	44.7	Very low	71.8	Confident	73 Å²	73	96.1 Å²	96.1	51%	0.51	51%	0.509	S	S	.	.	S	Bend	trans	-96.8	132.2	172.7	68.8	0	0	0	0	111.1	S293 S297	S293-S295 VanDerWaalsContact C-N 3.25Å; S295-S297 PolarHBondContact O-N 3.28Å; S295-S297 PolarHBondContact OG-OG 2.82Å; S295-S297 VanDerWaalsContact OG-OG 3.08Å
296	L	47.7	Very low	72	Confident	189 Å²	189	87.4 Å²	87.4	99%	0.99	48%	0.478	S	S	*	.	S	Bend	trans	-58.8	12.7	177.6	-74.8	144.6	0	0	0	115.5
297	S	47.5	Very low	72.1	Confident	71 Å²	71	86 Å²	86	50%	0.497	47%	0.47	S	S	.	.	S	Bend	trans	-98.2	132.1	180	56.6	0	0	0	0	110.3	S295 S299	S295-S297 PolarHBondContact O-N 3.28Å; S295-S297 PolarHBondContact OG-OG 2.82Å; S295-S297 VanDerWaalsContact OG-OG 3.08Å; S297-S299 PolarHBondContact O-N 3.37Å
298	V	48.4	Very low	72.2	Confident	151 Å²	151	82.9 Å²	82.9	92%	0.915	45%	0.448	S	S	*	.			trans	-64.7	48.1	176.5	-167.7	0	0	0	0	112.2	R300	V298-R300 PolarHBondContact O-N 3.46Å
299	S	54.3	Low	72.3	Confident	79 Å²	79	81.2 Å²	81.2	55%	0.552	44%	0.44	S	S	*	.			trans	-77	108.9	168.9	66.2	0	0	0	0	107.4	S297 K301	S297-S299 PolarHBondContact O-N 3.37Å; S299-K301 PolarHBondContact O-N 3.15Å
300	R	65.7	Low	72.6	Confident	230 Å²	230	78.3 Å²	78.3	87%	0.868	43%	0.425	S	S	*	.			trans	-52.2	137	172.8	-66.4	-177.7	-157.3	161.9	6.6	108.9	V298 S302	V298-R300 PolarHBondContact O-N 3.46Å; R300-S302 PolarHBondContact O-N 2.97Å
301	K	79.9	Confident	73.6	Confident	126 Å²	126	78.1 Å²	78.1	55%	0.548	43%	0.429	S	S	.	.			trans	-52.9	136	173	-66.6	-171.3	173.4	-168.4	0	110.2	S299 F303 R338	S299-K301 PolarHBondContact O-N 3.15Å; K301-F303 VanDerWaalsContact C-N 3.28Å; K301-F303 WeakPolarHBondContact CB-O 3.32Å; K301-F303 PolarHBondContact O-N 2.71Å; K301-R338 VanDerWaalsContact O-CZ 3.31Å; K301-R338 PolarHBondContact O-NH1 3.33Å; K301-R338 PolarHBondContact O-NH2 3.22Å
302	S	89.1	Confident	75.4	Confident	60 Å²	60	68.5 Å²	68.5	42%	0.42	39%	0.388	S	S	.	.	S	Bend	trans	-62.1	-41.4	177.3	-60.1	0	0	0	0	110.7	E290 R300 R338 E342	E290-S302 PolarHBondContact OE1-N 2.89Å; R300-S302 PolarHBondContact O-N 2.97Å; S302-R338 VanDerWaalsContact O-CZ 3.27Å; S302-R338 PolarHBondContact O-NH1 3.01Å; S302-R338 PolarHBondContact O-NH2 3.1Å; S302-E342 WeakPolarHBondContact O-CG 3.29Å
303	F	92.5	Very high	77.5	Confident	8 Å²	8	67.4 Å²	67.4	4%	0.035	37%	0.372	C	S	.	.			trans	-114.8	144	179.5	-57.4	-85.3	0	0	0	112.5	E290 K301 R305 P307 L326 R338 E342 L346	E290-F303 HydrophobicContact CG-CD2 3.8Å; E290-F303 WeakPolarHBondContact OE1-CA 3.21Å; E290-F303 VanDerWaalsContact OE1-CB 3.31Å; E290-F303 WeakPolarHBondContact OE1-CB 3.37Å; E290-F303 VanDerWaalsContact OE1-CD2 3.22Å; E290-F303 WeakPolarHBondContact OE1-CD2 3.37Å; E290-F303 PolarHBondContact OE1-N 3.13Å; K301-F303 VanDerWaalsContact C-N 3.28Å; K301-F303 WeakPolarHBondContact CB-O 3.32Å; K301-F303 PolarHBondContact O-N 2.71Å; F303-R305 VanDerWaalsContact C-N 3.29Å; F303-R305 VanDerWaalsContact CB-O 3.31Å; F303-R305 WeakPolarHBondContact CB-O 3.28Å; F303-P307 HydrophobicContact CD1-CG 3.94Å; F303-P307 VanDerWaalsContact CD2-CD 3.42Å; F303-P307 HydrophobicContact CD2-CG 3.93Å; F303-P307 HydrophobicContact CE1-CG 3.83Å; F303-P307 HydrophobicContact CE2-CG 3.84Å; F303-P307 VanDerWaalsContact CG-CD 3.48Å; F303-P307 HydrophobicContact CG-CG 3.99Å; F303-P307 HydrophobicContact CZ-CG 3.78Å; F303-L326 HydrophobicContact CD1-CD2 4.24Å; F303-L326 HydrophobicContact CE1-CD2 4.36Å; F303-R338 PolarHBondContact O-NH2 3.27Å; F303-E342 HydrophobicContact CD1-CB 4Å; F303-E342 HydrophobicContact CD1-CG 4.1Å; F303-E342 HydrophobicContact CE1-CB 4.31Å; F303-E342 WeakPolarHBondContact CE1-O 3Å; F303-L346 HydrophobicContact CE1-CD2 3.66Å; F303-L346 HydrophobicContact CE1-CG 3.91Å; F303-L346 HydrophobicContact CZ-CD2 3.78Å; F303-L346 HydrophobicContact CZ-CG 4.2Å
304	T	91.3	Very high	79.5	Confident	46 Å²	46	63.8 Å²	63.8	28%	0.282	35%	0.347	S	S	.	.	S	Bend	trans	-68.6	-36.7	169.3	-56.5	0	0	0	0	110.2	K327 R338 E342	T304-K327 HydrophobicContact CG2-CD 4.15Å; T304-R338 VanDerWaalsContact N-NH2 3.17Å; T304-R338 PolarHBondContact OG1-NE 3.14Å; T304-E342 WeakPolarHBondContact CB-OE1 3.34Å; T304-E342 PolarHBondContact N-OE1 3.18Å; T304-E342 PolarHBondContact OG1-OE1 3.36Å
305	R	93.1	Very high	81.3	Confident	27 Å²	27	60.7 Å²	60.7	10%	0.102	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-127.7	114.9	172.7	-72.2	162.7	-75.7	-130.8	10.2	108	T261 E269 F303 H325 L326	T261-R305 CarbonylContact O-C 3.54Å; T261-R305 VanDerWaalsContact O-CA 3.25Å; T261-R305 WeakPolarHBondContact O-CA 3.26Å; E269-R305 WeakPolarHBondContact OE2-CD 3.31Å; E269-R305 IonicContact OE2-NE 3.88Å; E269-R305 IonicContact OE2-NH1 2.88Å; F303-R305 VanDerWaalsContact C-N 3.29Å; F303-R305 VanDerWaalsContact CB-O 3.31Å; F303-R305 WeakPolarHBondContact CB-O 3.28Å; R305-H325 VanDerWaalsContact CZ-NE2 3.3Å; R305-H325 PolarHBondContact NE-O 3.48Å; R305-H325 PolarHBondContact NH1-CE1 3.21Å; R305-H325 VanDerWaalsContact NH1-CE1 3.26Å; R305-H325 PolarHBondContact NH2-CD2 3.49Å; R305-H325 VanDerWaalsContact NH2-CD2 3.34Å; R305-H325 PolarHBondContact NH2-NE2 3.33Å; R305-L326 PolarHBondContact NH2-O 3.14Å
306	S	95.2	Very high	83.3	Confident	14 Å²	14	65.8 Å²	65.8	10%	0.098	34%	0.343	C	S	.	.			trans	-57.8	126.4	-178.8	-45.6	0	0	0	0	109.8	T261 E290 C308	T261-S306 WeakPolarHBondContact CB-O 3.33Å; T261-S306 PolarHBondContact O-N 3.18Å; T261-S306 PolarHBondContact O-OG 2.95Å; E290-S306 WeakPolarHBondContact OE2-CB 3.18Å; E290-S306 PolarHBondContact OE2-OG 3.05Å; S306-C308 PolarHBondContact O-N 3.25Å
307	P	97.1	Very high	85.4	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.006	30%	0.3	C	S	.	.			trans	-53.9	138.5	171.3	-27.2	35.4	0	0	0	110.7	L289 F303 I322 S323 V324 L346 L349	L289-P307 HydrophobicContact CB-CB 4.42Å; L289-P307 PolarHBondContact N-O 3.37Å; F303-P307 HydrophobicContact CD1-CG 3.94Å; F303-P307 VanDerWaalsContact CD2-CD 3.42Å; F303-P307 HydrophobicContact CD2-CG 3.93Å; F303-P307 HydrophobicContact CE1-CG 3.83Å; F303-P307 HydrophobicContact CE2-CG 3.84Å; F303-P307 VanDerWaalsContact CG-CD 3.48Å; F303-P307 HydrophobicContact CG-CG 3.99Å; F303-P307 HydrophobicContact CZ-CG 3.78Å; P307-I322 HydrophobicContact CB-CG2 3.78Å; P307-S323 WeakPolarHBondContact CA-O 3.48Å; P307-V324 HydrophobicContact CB-CG1 4.07Å; P307-V324 HydrophobicContact CG-CG1 4.29Å; P307-L346 HydrophobicContact CG-CD2 4.15Å; P307-L349 HydrophobicContact CB-CD1 3.94Å; P307-L349 HydrophobicContact CG-CD1 4.06Å
308	C	97.4	Very high	87.7	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	114.9	176.8	-173.6	0	0	0	0	109.8	T261 A271 S287 L288 S306 I322 S323	T261-C308 HydrophobicContact CG2-CB 4.2Å; A271-C308 HydrophobicContact CB-CB 3.54Å; S287-C308 CarbonylContact O-C 3.47Å; S287-C308 WeakPolarHBondContact O-CA 3.27Å; L288-C308 HydrophobicContact CD2-CB 3.98Å; S306-C308 PolarHBondContact O-N 3.25Å; C308-I322 CarbonylContact O-C 3.55Å; C308-I322 WeakPolarHBondContact O-CA 3.34Å; C308-S323 PolarHBondContact N-O 3.27Å; C308-S323 PolarHBondContact O-N 2.85Å
309	G	97.1	Very high	89.9	Confident	4 Å²	4	50 Å²	50	4%	0.041	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	144.3	172.4	0	0	0	0	0	111.5	T286 S287 L321	T286-G309 CarbonylContact C-O 3.49Å; T286-G309 VanDerWaalsContact CA-O 3.24Å; T286-G309 WeakPolarHBondContact CA-O 3.49Å; S287-G309 PolarHBondContact N-O 3.5Å; S287-G309 PolarHBondContact O-N 2.5Å; G309-L321 CarbonylContact C-O 3.56Å; G309-L321 VanDerWaalsContact CA-O 3.31Å; G309-L321 WeakPolarHBondContact CA-O 3.08Å
310	A	97.7	Very high	91.9	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.008	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	125.5	172.9	0	0	0	0	0	110	F273 I283 R285 T286 C312 V320 L321	F273-A310 HydrophobicContact CD1-CB 3.91Å; F273-A310 HydrophobicContact CD2-CB 4.12Å; F273-A310 HydrophobicContact CE1-CB 3.66Å; F273-A310 HydrophobicContact CE2-CB 3.89Å; F273-A310 HydrophobicContact CG-CB 4.15Å; F273-A310 HydrophobicContact CZ-CB 3.65Å; I283-A310 HydrophobicContact CG2-CB 3.96Å; R285-A310 CarbonylContact O-C 3.31Å; R285-A310 VanDerWaalsContact O-CA 3.28Å; R285-A310 WeakPolarHBondContact O-CA 3.27Å; T286-A310 HydrophobicContact CG2-CB 4.12Å; A310-C312 PolarHBondContact O-N 3.36Å; A310-V320 WeakPolarHBondContact O-CA 3.37Å; A310-L321 HydrophobicContact CB-CB 4.38Å; A310-L321 PolarHBondContact N-O 3.26Å; A310-L321 PolarHBondContact O-N 2.77Å
311	S	96.8	Very high	93.5	Very high	43 Å²	43	36.3 Å²	36.3	30%	0.301	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	110.2	170.7	178.3	0	0	0	0	108.7	I283 S284 R285	I283-S311 WeakPolarHBondContact CA-O 3.37Å; S284-S311 PolarHBondContact N-O 2.9Å; R285-S311 PolarHBondContact O-N 2.95Å
312	C	97.4	Very high	94.3	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	130.5	-174.4	-176.6	0	0	0	0	110	R282 I283 A310 L319 L321	R282-C312 CarbonylContact O-C 3.46Å; R282-C312 WeakPolarHBondContact O-CA 3.22Å; I283-C312 HydrophobicContact CG1-CB 4.23Å; A310-C312 PolarHBondContact O-N 3.36Å; C312-L319 HydrophobicContact CB-CB 4.23Å; C312-L319 PolarHBondContact N-O 2.93Å; C312-L319 PolarHBondContact O-N 2.81Å; C312-L321 HydrophobicContact CB-CD1 3.66Å; C312-L321 HydrophobicContact CB-CG 3.86Å
313	H	95.4	Very high	94.8	Very high	65 Å²	65	27.9 Å²	27.9	30%	0.301	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.1	170.3	-60.3	-87.7	0	0	0	108.4	I281 R282 V317 N318	I281-H313 CarbonylContact C-O 3.5Å; I281-H313 WeakPolarHBondContact CA-O 3.43Å; R282-H313 HydrophobicContact CB-CB 4.48Å; R282-H313 PolarHBondContact N-O 3.39Å; R282-H313 PolarHBondContact O-N 2.82Å; H313-V317 WeakPolarHBondContact CA-O 3.43Å; H313-N318 PolarHBondContact CE1-OD1 3.27Å; H313-N318 PolarHBondContact ND1-OD1 3.16Å
314	I	93.4	Very high	95	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	104.3	170.7	-49	179.1	0	0	0	106.9	I175 G280 I281 H316 V317 L319 I468 L470	I175-I314 HydrophobicContact CD1-CG2 4.44Å; I175-I314 HydrophobicContact CG1-CG2 4.12Å; I175-I314 HydrophobicContact CG2-CD1 4.34Å; G280-I314 WeakPolarHBondContact O-CA 3Å; I281-I314 HydrophobicContact CG1-CD1 4.47Å; I281-I314 HydrophobicContact CG1-CG1 4.19Å; I281-I314 HydrophobicContact CG1-CG2 4.16Å; I314-H316 PolarHBondContact O-N 3.44Å; I314-H316 VanDerWaalsContact O-N 3.07Å; I314-V317 PolarHBondContact N-O 3.2Å; I314-V317 WeakPolarHBondContact O-CB 3.18Å; I314-V317 PolarHBondContact O-N 3.06Å; I314-L319 HydrophobicContact CB-CD1 4.19Å; I314-L319 HydrophobicContact CD1-CD1 3.61Å; I314-L319 HydrophobicContact CG1-CD1 3.66Å; I314-I468 HydrophobicContact CD1-CD1 3.82Å; I314-L470 HydrophobicContact CB-CD1 4.45Å; I314-L470 HydrophobicContact CG2-CD1 3.52Å
315	Q	85.8	Confident	95.3	Very high	85 Å²	85	26 Å²	26	40%	0.397	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	-110.7	-169.5	-55.2	177.6	4.8	0	0	111.4	G280	G280-Q315 PolarHBondContact O-N 3.09Å
316	H	86.4	Confident	95.4	Very high	179 Å²	179	24.7 Å²	24.7	83%	0.829	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.3	2.1	-179.6	-52.2	-62.6	0	0	0	113.4	I314	I314-H316 PolarHBondContact O-N 3.44Å; I314-H316 VanDerWaalsContact O-N 3.07Å
317	V	92.6	Very high	95.2	Very high	14 Å²	14	27.2 Å²	27.2	9%	0.085	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	134.1	-176.3	177.9	0	0	0	0	110.6	H313 I314 L319 Y362 I428 L470	H313-V317 WeakPolarHBondContact CA-O 3.43Å; I314-V317 PolarHBondContact N-O 3.2Å; I314-V317 WeakPolarHBondContact O-CB 3.18Å; I314-V317 PolarHBondContact O-N 3.06Å; V317-L319 HydrophobicContact CB-CD1 4.45Å; V317-L319 HydrophobicContact CG1-CD1 3.78Å; V317-L319 HydrophobicContact CG1-CG 4.26Å; V317-Y362 HydrophobicContact CG1-CD2 3.71Å; V317-Y362 HydrophobicContact CG1-CE2 3.79Å; V317-I428 HydrophobicContact CG1-CB 4.04Å; V317-I428 HydrophobicContact CG1-CD1 3.84Å; V317-I428 HydrophobicContact CG1-CG2 3.67Å; V317-I428 HydrophobicContact CG2-CB 4.36Å; V317-L470 HydrophobicContact CB-CD2 4.41Å; V317-L470 HydrophobicContact CG2-CD2 3.97Å
318	N	94.4	Very high	94.7	Very high	65 Å²	65	29.2 Å²	29.2	35%	0.348	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.8	176.5	-59.9	-36.2	0	0	0	110.3	H313 T361 Y362	H313-N318 PolarHBondContact CE1-OD1 3.27Å; H313-N318 PolarHBondContact ND1-OD1 3.16Å; N318-T361 HydrophobicContact CB-CG2 4.31Å; N318-T361 WeakPolarHBondContact O-CA 3.23Å; N318-Y362 WeakPolarHBondContact O-CD2 3.26Å; N318-Y362 PolarHBondContact O-N 3.43Å
319	L	95.5	Very high	93.8	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146.2	174.5	-64.1	107.2	0	0	0	110.8	C312 I314 V317 Y362 I364 I428	C312-L319 HydrophobicContact CB-CB 4.23Å; C312-L319 PolarHBondContact N-O 2.93Å; C312-L319 PolarHBondContact O-N 2.81Å; I314-L319 HydrophobicContact CB-CD1 4.19Å; I314-L319 HydrophobicContact CD1-CD1 3.61Å; I314-L319 HydrophobicContact CG1-CD1 3.66Å; V317-L319 HydrophobicContact CB-CD1 4.45Å; V317-L319 HydrophobicContact CG1-CD1 3.78Å; V317-L319 HydrophobicContact CG1-CG 4.26Å; L319-Y362 CarbonylContact C-O 3.49Å; L319-Y362 WeakPolarHBondContact CA-O 3.35Å; L319-I364 HydrophobicContact CD2-CD1 3.7Å; L319-I364 HydrophobicContact CD2-CG1 4.26Å; L319-I428 HydrophobicContact CD1-CD1 3.99Å; L319-I428 HydrophobicContact CD2-CD1 3.74Å; L319-I428 HydrophobicContact CG-CD1 4.2Å
320	V	97.1	Very high	92.8	Very high	20 Å²	20	31.3 Å²	31.3	12%	0.121	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.6	160.9	176.8	0	0	0	0	107.6	A310 I322 F353 Q357 T361 Y362 L363 I364	A310-V320 WeakPolarHBondContact O-CA 3.37Å; V320-I322 HydrophobicContact CG1-CD1 4.32Å; V320-I322 HydrophobicContact CG1-CG1 3.97Å; V320-F353 HydrophobicContact CB-CD2 4.13Å; V320-F353 HydrophobicContact CB-CE2 3.68Å; V320-F353 HydrophobicContact CG1-CD2 4.38Å; V320-F353 HydrophobicContact CG1-CE2 4.42Å; V320-F353 HydrophobicContact CG2-CD2 4.23Å; V320-F353 HydrophobicContact CG2-CE2 3.68Å; V320-Q357 HydrophobicContact CG2-CG 4.46Å; V320-T361 HydrophobicContact CG2-CG2 3.9Å; V320-Y362 PolarHBondContact N-O 3.15Å; V320-L363 HydrophobicContact CB-CD1 4.29Å; V320-L363 HydrophobicContact CG1-CD1 4.21Å; V320-I364 PolarHBondContact O-N 3.28Å
321	L	97.9	Very high	91.4	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.5	174.1	-53.2	169.7	0	0	0	108.2	L210 F273 I283 G309 A310 C312 I364	L210-L321 HydrophobicContact CD1-CD1 4.14Å; L210-L321 HydrophobicContact CD2-CD1 3.47Å; L210-L321 VanDerWaalsContact CD2-CD1 3.47Å; L210-L321 HydrophobicContact CD2-CD2 4.28Å; L210-L321 HydrophobicContact CG-CD1 4.33Å; F273-L321 HydrophobicContact CD1-CB 4.45Å; F273-L321 HydrophobicContact CD1-CD1 4.28Å; F273-L321 HydrophobicContact CE1-CB 3.97Å; I283-L321 HydrophobicContact CD1-CD1 4.4Å; G309-L321 CarbonylContact C-O 3.56Å; G309-L321 VanDerWaalsContact CA-O 3.31Å; G309-L321 WeakPolarHBondContact CA-O 3.08Å; A310-L321 HydrophobicContact CB-CB 4.38Å; A310-L321 PolarHBondContact N-O 3.26Å; A310-L321 PolarHBondContact O-N 2.77Å; C312-L321 HydrophobicContact CB-CD1 3.66Å; C312-L321 HydrophobicContact CB-CG 3.86Å; L321-I364 CarbonylContact C-O 3.54Å; L321-I364 WeakPolarHBondContact CA-O 3.45Å; L321-I364 HydrophobicContact CD2-CB 3.91Å; L321-I364 HydrophobicContact CD2-CD1 3.94Å; L321-I364 HydrophobicContact CD2-CG1 4.3Å; L321-I364 HydrophobicContact CD2-CG2 4.33Å
322	I	98.2	Very high	90	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.015	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	113.5	177.7	-54.7	-174.8	0	0	0	108.8	L289 P307 C308 V320 V324 L349 L363 I364 I365 A366	L289-I322 HydrophobicContact CD1-CD1 3.64Å; L289-I322 HydrophobicContact CD1-CG1 4.03Å; L289-I322 HydrophobicContact CD1-CG2 4.01Å; P307-I322 HydrophobicContact CB-CG2 3.78Å; C308-I322 CarbonylContact O-C 3.55Å; C308-I322 WeakPolarHBondContact O-CA 3.34Å; V320-I322 HydrophobicContact CG1-CD1 4.32Å; V320-I322 HydrophobicContact CG1-CG1 3.97Å; I322-V324 HydrophobicContact CG2-CG1 4.05Å; I322-L349 HydrophobicContact CD1-CD1 4.45Å; I322-L349 HydrophobicContact CD1-CD2 3.22Å; I322-L349 HydrophobicContact CD1-CG 4.29Å; I322-L363 HydrophobicContact CD1-CD1 3.58Å; I322-L363 HydrophobicContact CG1-CD1 3.91Å; I322-I364 PolarHBondContact N-O 2.91Å; I322-I365 HydrophobicContact CB-CB 4.42Å; I322-I365 HydrophobicContact CB-CG1 4.17Å; I322-I365 HydrophobicContact CB-CG2 4.2Å; I322-I365 HydrophobicContact CD1-CG1 4.34Å; I322-I365 HydrophobicContact CG2-CG2 4.29Å; I322-I365 CarbonylContact O-C 3.38Å; I322-I365 WeakPolarHBondContact O-CA 3.4Å; I322-A366 PolarHBondContact O-N 2.8Å
323	S	98.3	Very high	89	Confident	7 Å²	7	53 Å²	53	5%	0.049	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	126.4	170.9	-172.6	0	0	0	0	109.5	Q214 P307 C308 A366	Q214-S323 PolarHBondContact NE2-OG 3.25Å; Q214-S323 VanDerWaalsContact NE2-OG 3.08Å; P307-S323 WeakPolarHBondContact CA-O 3.48Å; C308-S323 PolarHBondContact N-O 3.27Å; C308-S323 PolarHBondContact O-N 2.85Å; S323-A366 WeakPolarHBondContact CA-O 3.2Å
324	V	97.7	Very high	88.1	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	147.2	175.8	-62	0	0	0	0	111.5	P307 I322 L326 L346 I365 A366 G367 D368 F369	P307-V324 HydrophobicContact CB-CG1 4.07Å; P307-V324 HydrophobicContact CG-CG1 4.29Å; I322-V324 HydrophobicContact CG2-CG1 4.05Å; V324-L326 HydrophobicContact CB-CD2 4.23Å; V324-L346 HydrophobicContact CG1-CD2 3.89Å; V324-I365 HydrophobicContact CG1-CG2 3.6Å; V324-I365 HydrophobicContact CG2-CG2 4.11Å; V324-A366 PolarHBondContact N-O 2.97Å; V324-G367 VanDerWaalsContact O-CA 3.32Å; V324-G367 WeakPolarHBondContact O-CA 3.5Å; V324-D368 PolarHBondContact O-N 2.93Å; V324-F369 HydrophobicContact CG2-CD1 4.11Å; V324-F369 HydrophobicContact CG2-CD2 4.13Å; V324-F369 HydrophobicContact CG2-CE1 3.7Å; V324-F369 HydrophobicContact CG2-CE2 3.67Å; V324-F369 HydrophobicContact CG2-CG 4.31Å; V324-F369 HydrophobicContact CG2-CZ 3.44Å; V324-F369 VanDerWaalsContact CG2-CZ 3.44Å
325	H	96.3	Very high	87.7	Confident	11 Å²	11	57.6 Å²	57.6	5%	0.051	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	90.2	166.4	178	-168	0	0	0	107.9	Q214 E215 E269 R305 D368	Q214-H325 HydrophobicContact CB-CB 4.42Å; Q214-H325 HydrophobicContact CG-CB 4.3Å; E215-H325 VanDerWaalsContact CG-CE1 3.42Å; E215-H325 WeakPolarHBondContact CG-CE1 3.31Å; E215-H325 IonicContact OE1-CE1 3.58Å; E215-H325 PolarHBondContact OE1-CE1 3.09Å; E215-H325 IonicContact OE1-NE2 3.33Å; E269-H325 VanDerWaalsContact CD-ND1 3.29Å; E269-H325 IonicContact OE1-CE1 3.78Å; E269-H325 IonicContact OE1-CG 3.44Å; E269-H325 IonicContact OE1-ND1 2.73Å; E269-H325 PolarHBondContact OE1-ND1 3.08Å; E269-H325 IonicContact OE2-CE1 2.73Å; E269-H325 IonicContact OE2-ND1 3.51Å; E269-H325 PolarHBondContact OE2-ND1 3.16Å; R305-H325 VanDerWaalsContact CZ-NE2 3.3Å; R305-H325 PolarHBondContact NE-O 3.48Å; R305-H325 PolarHBondContact NH1-CE1 3.21Å; R305-H325 VanDerWaalsContact NH1-CE1 3.26Å; R305-H325 PolarHBondContact NH2-CD2 3.49Å; R305-H325 VanDerWaalsContact NH2-CD2 3.34Å; R305-H325 PolarHBondContact NH2-NE2 3.33Å; H325-D368 CarbonylContact C-O 3.46Å; H325-D368 WeakPolarHBondContact CA-O 3.12Å; H325-D368 IonicContact CD2-OD2 2.85Å; H325-D368 PolarHBondContact CD2-OD2 2.85Å; H325-D368 IonicContact NE2-OD2 2.77Å
326	L	95.2	Very high	87.8	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-73.6	163.3	-173.4	-55.1	-169.6	0	0	0	111.1	F303 R305 V324 A328 E342 I343 L346 D368 F369 N370	F303-L326 HydrophobicContact CD1-CD2 4.24Å; F303-L326 HydrophobicContact CE1-CD2 4.36Å; R305-L326 PolarHBondContact NH2-O 3.14Å; V324-L326 HydrophobicContact CB-CD2 4.23Å; L326-A328 PolarHBondContact O-N 3.22Å; L326-E342 WeakPolarHBondContact CA-OE2 2.91Å; L326-E342 HydrophobicContact CD2-CB 4.21Å; L326-I343 HydrophobicContact CD1-CD1 4.44Å; L326-I343 HydrophobicContact CD1-CG1 3.54Å; L326-L346 HydrophobicContact CD1-CD1 4.05Å; L326-L346 HydrophobicContact CD2-CD1 4.33Å; L326-D368 PolarHBondContact N-O 3.31Å; L326-F369 HydrophobicContact CD1-CB 4.27Å; L326-F369 HydrophobicContact CD1-CD1 3.85Å; L326-F369 HydrophobicContact CD1-CG 4.46Å; L326-F369 HydrophobicContact CG-CD1 4.45Å; L326-N370 PolarHBondContact O-ND2 3.42Å
327	K	91.7	Very high	88.1	Confident	67 Å²	67	49.5 Å²	49.5	29%	0.291	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-62.2	128.6	178.2	-174.8	65.4	174.8	-177	0	110.2	T304 Q335 R338 T339 E342	T304-K327 HydrophobicContact CG2-CD 4.15Å; K327-Q335 HydrophobicContact CG-CB 4.41Å; K327-R338 HydrophobicContact CB-CG 3.87Å; K327-R338 HydrophobicContact CG-CB 4.24Å; K327-R338 HydrophobicContact CG-CG 3.79Å; K327-T339 WeakPolarHBondContact O-CB 3.21Å; K327-T339 VanDerWaalsContact O-CG2 3.27Å; K327-T339 WeakPolarHBondContact O-CG2 3.46Å; K327-T339 PolarHBondContact O-OG1 2.72Å; K327-E342 PolarHBondContact N-OE2 3.26Å
328	A	86.9	Confident	88.1	Confident	42 Å²	42	51.5 Å²	51.5	35%	0.347	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-61.5	141.6	169.7	0	0	0	0	0	111.6	L326 G330 Q335 N370	L326-A328 PolarHBondContact O-N 3.22Å; A328-G330 PolarHBondContact O-N 3.19Å; A328-Q335 WeakPolarHBondContact O-CB 3.5Å; A328-N370 VanDerWaalsContact CA-CG 3.45Å; A328-N370 WeakPolarHBondContact CA-OD1 3.49Å; A328-N370 WeakPolarHBondContact CB-OD1 3.18Å
329	S	77.8	Confident	88	Confident	12 Å²	12	48.4 Å²	48.4	8%	0.084	26%	0.262	C	S	.	.			trans	-62.5	-10.5	-179.8	65	0	0	0	0	113.7	N333 S334 Q335 I336	S329-N333 CarbonylContact O-C 3.52Å; S329-N333 WeakPolarHBondContact O-CA 3.44Å; S329-N333 PolarHBondContact OG-OD1 3.05Å; S329-S334 PolarHBondContact O-N 3.39Å; S329-S334 VanDerWaalsContact O-N 3.1Å; S329-Q335 WeakPolarHBondContact O-CA 3.43Å; S329-Q335 WeakPolarHBondContact O-CB 3.5Å; S329-Q335 PolarHBondContact O-N 2.62Å; S329-I336 PolarHBondContact O-N 2.86Å
330	G	76.3	Confident	88	Confident	36 Å²	36	50.5 Å²	50.5	37%	0.371	27%	0.273	S	S	.	.			trans	72.7	175.7	176.2	0	0	0	0	0	113.2	A328 R332 N333	A328-G330 PolarHBondContact O-N 3.19Å; G330-R332 PolarHBondContact O-N 2.84Å; G330-N333 PolarHBondContact O-N 2.61Å
331	L	69	Low	87.8	Confident	156 Å²	156	51.6 Å²	51.6	82%	0.817	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-60.7	132.5	175	-69.9	171.5	0	0	0	109.5	N333 S334	L331-N333 PolarHBondContact O-N 3.17Å; L331-S334 WeakPolarHBondContact O-CB 3.33Å; L331-S334 PolarHBondContact O-N 2.84Å; L331-S334 PolarHBondContact O-OG 2.87Å
332	R	66.9	Low	87.7	Confident	257 Å²	257	51.5 Å²	51.5	97%	0.97	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	53.8	35.1	-178.3	-56.5	-179.6	178.1	-178	-1.3	113.5	G330 S334	G330-R332 PolarHBondContact O-N 2.84Å; R332-S334 PolarHBondContact O-N 3.21Å; R332-S334 VanDerWaalsContact O-N 3.13Å
333	N	76.4	Confident	87.6	Confident	89 Å²	89	51.4 Å²	51.4	48%	0.476	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	58	24	-179.9	-65	-25	0	0	0	114.1	S329 G330 L331 Q335 I336	S329-N333 CarbonylContact O-C 3.52Å; S329-N333 WeakPolarHBondContact O-CA 3.44Å; S329-N333 PolarHBondContact OG-OD1 3.05Å; G330-N333 PolarHBondContact O-N 2.61Å; L331-N333 PolarHBondContact O-N 3.17Å; N333-Q335 PolarHBondContact O-N 2.88Å; N333-I336 HydrophobicContact CB-CB 4.03Å; N333-I336 HydrophobicContact CB-CD1 4.41Å; N333-I336 HydrophobicContact CB-CG2 4.09Å; N333-I336 WeakPolarHBondContact O-CB 3.34Å; N333-I336 WeakPolarHBondContact O-CG2 3.2Å; N333-I336 PolarHBondContact O-N 3.05Å
334	S	76.4	Confident	87.4	Confident	79 Å²	79	56 Å²	56	55%	0.552	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-16.3	-178.5	50.4	0	0	0	0	115.1	S329 L331 R332	S329-S334 PolarHBondContact O-N 3.39Å; S329-S334 VanDerWaalsContact O-N 3.1Å; L331-S334 WeakPolarHBondContact O-CB 3.33Å; L331-S334 PolarHBondContact O-N 2.84Å; L331-S334 PolarHBondContact O-OG 2.87Å; R332-S334 PolarHBondContact O-N 3.21Å; R332-S334 VanDerWaalsContact O-N 3.13Å
335	Q	84.1	Confident	87.3	Confident	83 Å²	83	56.6 Å²	56.6	39%	0.388	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	8.1	-179.1	-61.2	-66.8	-47.8	0	0	112.5	K327 A328 S329 N333 G337 R338 T339	K327-Q335 HydrophobicContact CG-CB 4.41Å; A328-Q335 WeakPolarHBondContact O-CB 3.5Å; S329-Q335 WeakPolarHBondContact O-CA 3.43Å; S329-Q335 WeakPolarHBondContact O-CB 3.5Å; S329-Q335 PolarHBondContact O-N 2.62Å; N333-Q335 PolarHBondContact O-N 2.88Å; Q335-G337 PolarHBondContact O-N 3.41Å; Q335-R338 WeakPolarHBondContact O-CB 3.37Å; Q335-R338 PolarHBondContact O-N 2.84Å; Q335-T339 PolarHBondContact O-N 3.01Å; Q335-T339 PolarHBondContact O-OG1 3.45Å
336	I	89.2	Confident	87.3	Confident	45 Å²	45	56.1 Å²	56.1	23%	0.231	30%	0.303	C	S	.	.	H	α-helix	trans	-57.6	-37.5	-178	-164.9	170.2	0	0	0	112.4	S329 N333 R338 T339 I340 L371	S329-I336 PolarHBondContact O-N 2.86Å; N333-I336 HydrophobicContact CB-CB 4.03Å; N333-I336 HydrophobicContact CB-CD1 4.41Å; N333-I336 HydrophobicContact CB-CG2 4.09Å; N333-I336 WeakPolarHBondContact O-CB 3.34Å; N333-I336 WeakPolarHBondContact O-CG2 3.2Å; N333-I336 PolarHBondContact O-N 3.05Å; I336-R338 PolarHBondContact O-N 3.26Å; I336-T339 WeakPolarHBondContact O-CB 3.4Å; I336-T339 PolarHBondContact O-N 3.08Å; I336-T339 VanDerWaalsContact O-N 3.1Å; I336-I340 HydrophobicContact CG1-CD1 4.14Å; I336-I340 HydrophobicContact CG1-CG1 4.42Å; I336-I340 WeakPolarHBondContact O-CG1 3.44Å; I336-I340 PolarHBondContact O-N 3.43Å; I336-L371 HydrophobicContact CD1-CD2 4.29Å; I336-L371 HydrophobicContact CG1-CD2 4.29Å
337	G	91.4	Very high	87.3	Confident	48 Å²	48	56.1 Å²	56.1	50%	0.495	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-31.1	176.7	0	0	0	0	0	113	Q335 S341	Q335-G337 PolarHBondContact O-N 3.41Å; G337-S341 WeakPolarHBondContact O-CB 3.49Å; G337-S341 PolarHBondContact O-N 3.13Å
338	R	93	Very high	87.4	Confident	57 Å²	57	61.5 Å²	61.5	22%	0.215	32%	0.323	C	S	.	.	H	α-helix	trans	-71.6	-43.1	172.9	178.5	55.2	179.4	-170.3	-9	111	K301 S302 F303 T304 K327 Q335 I336 I340 S341 E342	K301-R338 VanDerWaalsContact O-CZ 3.31Å; K301-R338 PolarHBondContact O-NH1 3.33Å; K301-R338 PolarHBondContact O-NH2 3.22Å; S302-R338 VanDerWaalsContact O-CZ 3.27Å; S302-R338 PolarHBondContact O-NH1 3.01Å; S302-R338 PolarHBondContact O-NH2 3.1Å; F303-R338 PolarHBondContact O-NH2 3.27Å; T304-R338 VanDerWaalsContact N-NH2 3.17Å; T304-R338 PolarHBondContact OG1-NE 3.14Å; K327-R338 HydrophobicContact CB-CG 3.87Å; K327-R338 HydrophobicContact CG-CB 4.24Å; K327-R338 HydrophobicContact CG-CG 3.79Å; Q335-R338 WeakPolarHBondContact O-CB 3.37Å; Q335-R338 PolarHBondContact O-N 2.84Å; I336-R338 PolarHBondContact O-N 3.26Å; R338-I340 VanDerWaalsContact C-N 3.32Å; R338-I340 PolarHBondContact O-N 2.78Å; R338-S341 PolarHBondContact O-N 3.05Å; R338-E342 IonicContact CZ-OE1 2.8Å; R338-E342 IonicContact NE-OE1 3.92Å; R338-E342 PolarHBondContact NE-OE1 3.41Å; R338-E342 IonicContact NH2-OE1 3.48Å; R338-E342 PolarHBondContact NH2-OE1 2.89Å; R338-E342 WeakPolarHBondContact O-CG 3.29Å; R338-E342 PolarHBondContact O-N 3.31Å
339	T	93.3	Very high	87.8	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57.8	-45.6	174.9	-42.8	0	0	0	0	111.3	K327 Q335 I336 E342 I343 N370 L371	K327-T339 WeakPolarHBondContact O-CB 3.21Å; K327-T339 VanDerWaalsContact O-CG2 3.27Å; K327-T339 WeakPolarHBondContact O-CG2 3.46Å; K327-T339 PolarHBondContact O-OG1 2.72Å; Q335-T339 PolarHBondContact O-N 3.01Å; Q335-T339 PolarHBondContact O-OG1 3.45Å; I336-T339 WeakPolarHBondContact O-CB 3.4Å; I336-T339 PolarHBondContact O-N 3.08Å; I336-T339 VanDerWaalsContact O-N 3.1Å; T339-E342 PolarHBondContact O-N 3.19Å; T339-I343 HydrophobicContact CG2-CD1 4.27Å; T339-I343 WeakPolarHBondContact O-CG1 3.45Å; T339-I343 PolarHBondContact O-N 2.65Å; T339-N370 HydrophobicContact CG2-CB 4.28Å; T339-L371 HydrophobicContact CG2-CD1 3.86Å; T339-L371 HydrophobicContact CG2-CG 3.83Å
340	I	94.4	Very high	88.7	Confident	44 Å²	44	60 Å²	60	23%	0.226	31%	0.308	C	S	.	.	H	α-helix	trans	-60.6	-48.1	177	-65.9	170	0	0	0	111	I336 R338 E342 I343 E344 L371 A377	I336-I340 HydrophobicContact CG1-CD1 4.14Å; I336-I340 HydrophobicContact CG1-CG1 4.42Å; I336-I340 WeakPolarHBondContact O-CG1 3.44Å; I336-I340 PolarHBondContact O-N 3.43Å; R338-I340 VanDerWaalsContact C-N 3.32Å; R338-I340 PolarHBondContact O-N 2.78Å; I340-E342 VanDerWaalsContact C-N 3.26Å; I340-E342 PolarHBondContact O-N 3.41Å; I340-I343 WeakPolarHBondContact O-CB 3.25Å; I340-I343 PolarHBondContact O-N 3.23Å; I340-E344 WeakPolarHBondContact O-CG 3.26Å; I340-E344 PolarHBondContact O-N 3.33Å; I340-L371 HydrophobicContact CG1-CD1 4.36Å; I340-A377 HydrophobicContact CB-CB 4.47Å; I340-A377 HydrophobicContact CG1-CB 4.01Å; I340-A377 HydrophobicContact CG2-CB 4.18Å
341	S	93.9	Very high	89.5	Confident	43 Å²	43	61.9 Å²	61.9	30%	0.301	31%	0.307	S	S	.	.	H	α-helix	trans	-61.3	-33.4	177.5	176.4	0	0	0	0	113.1	G337 R338 S345	G337-S341 WeakPolarHBondContact O-CB 3.49Å; G337-S341 PolarHBondContact O-N 3.13Å; R338-S341 PolarHBondContact O-N 3.05Å; S341-S345 WeakPolarHBondContact O-CB 3.42Å; S341-S345 PolarHBondContact O-N 3.36Å; S341-S345 PolarHBondContact O-OG 2.92Å
342	E	95.4	Very high	90.7	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-70.2	-37.6	173.2	-72.2	-177.5	-175.4	0	0	111.9	S302 F303 T304 L326 K327 R338 T339 I340 S345 L346	S302-E342 WeakPolarHBondContact O-CG 3.29Å; F303-E342 HydrophobicContact CD1-CB 4Å; F303-E342 HydrophobicContact CD1-CG 4.1Å; F303-E342 HydrophobicContact CE1-CB 4.31Å; F303-E342 WeakPolarHBondContact CE1-O 3Å; T304-E342 WeakPolarHBondContact CB-OE1 3.34Å; T304-E342 PolarHBondContact N-OE1 3.18Å; T304-E342 PolarHBondContact OG1-OE1 3.36Å; L326-E342 WeakPolarHBondContact CA-OE2 2.91Å; L326-E342 HydrophobicContact CD2-CB 4.21Å; K327-E342 PolarHBondContact N-OE2 3.26Å; R338-E342 IonicContact CZ-OE1 2.8Å; R338-E342 IonicContact NE-OE1 3.92Å; R338-E342 PolarHBondContact NE-OE1 3.41Å; R338-E342 IonicContact NH2-OE1 3.48Å; R338-E342 PolarHBondContact NH2-OE1 2.89Å; R338-E342 WeakPolarHBondContact O-CG 3.29Å; R338-E342 PolarHBondContact O-N 3.31Å; T339-E342 PolarHBondContact O-N 3.19Å; I340-E342 VanDerWaalsContact C-N 3.26Å; I340-E342 PolarHBondContact O-N 3.41Å; E342-S345 WeakPolarHBondContact O-CA 3.26Å; E342-S345 WeakPolarHBondContact O-CB 3.46Å; E342-S345 PolarHBondContact O-N 3.46Å; E342-L346 PolarHBondContact O-N 3.03Å
343	I	95.6	Very high	92	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.4	-43.5	174.5	-65.2	162	0	0	0	111	L326 T339 I340 S345 L346 G347 L371 A377 Y378 V380	L326-I343 HydrophobicContact CD1-CD1 4.44Å; L326-I343 HydrophobicContact CD1-CG1 3.54Å; T339-I343 HydrophobicContact CG2-CD1 4.27Å; T339-I343 WeakPolarHBondContact O-CG1 3.45Å; T339-I343 PolarHBondContact O-N 2.65Å; I340-I343 WeakPolarHBondContact O-CB 3.25Å; I340-I343 PolarHBondContact O-N 3.23Å; I343-S345 PolarHBondContact O-N 3.32Å; I343-L346 WeakPolarHBondContact O-CB 3.43Å; I343-L346 PolarHBondContact O-N 2.95Å; I343-G347 PolarHBondContact O-N 2.84Å; I343-L371 HydrophobicContact CD1-CD1 3.71Å; I343-A377 HydrophobicContact CD1-CB 3.95Å; I343-A377 HydrophobicContact CG2-CB 4.38Å; I343-A377 VanDerWaalsContact CG2-O 3.23Å; I343-A377 WeakPolarHBondContact CG2-O 3.34Å; I343-Y378 HydrophobicContact CB-CE1 4.41Å; I343-Y378 HydrophobicContact CD1-CD1 4.26Å; I343-Y378 HydrophobicContact CD1-CE1 3.57Å; I343-Y378 HydrophobicContact CD1-CE2 4.08Å; I343-Y378 VanDerWaalsContact CD1-CZ 3.44Å; I343-Y378 WeakPolarHBondContact CD1-OH 3.08Å; I343-Y378 HydrophobicContact CG1-CD1 4.35Å; I343-Y378 HydrophobicContact CG1-CE1 3.68Å; I343-Y378 HydrophobicContact CG2-CD1 3.6Å; I343-Y378 HydrophobicContact CG2-CE1 3.8Å; I343-Y378 HydrophobicContact CG2-CG 4.35Å; I343-V380 HydrophobicContact CG2-CG1 3.96Å
344	E	95	Very high	92.9	Very high	105 Å²	105	44.9 Å²	44.9	49%	0.491	24%	0.235	S	C	.	.	H	α-helix	trans	-57.2	-39.7	171.8	-69.7	173.4	168.5	0	0	111.1	I340 L346 G347	I340-E344 WeakPolarHBondContact O-CG 3.26Å; I340-E344 PolarHBondContact O-N 3.33Å; E344-L346 VanDerWaalsContact C-N 3.28Å; E344-L346 PolarHBondContact O-N 3.35Å; E344-G347 PolarHBondContact O-N 3.28Å
345	S	95	Very high	93.7	Very high	15 Å²	15	47.6 Å²	47.6	11%	0.105	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-30.1	176.5	-60.3	0	0	0	0	113.2	S341 E342 I343 G347 Y348 L349	S341-S345 WeakPolarHBondContact O-CB 3.42Å; S341-S345 PolarHBondContact O-N 3.36Å; S341-S345 PolarHBondContact O-OG 2.92Å; E342-S345 WeakPolarHBondContact O-CA 3.26Å; E342-S345 WeakPolarHBondContact O-CB 3.46Å; E342-S345 PolarHBondContact O-N 3.46Å; I343-S345 PolarHBondContact O-N 3.32Å; S345-G347 VanDerWaalsContact C-N 3.27Å; S345-G347 PolarHBondContact O-N 3.38Å; S345-Y348 PolarHBondContact O-N 3.11Å; S345-L349 PolarHBondContact O-N 2.83Å
346	L	96.2	Very high	94.2	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.2	-31.7	172	-66.5	176.5	0	0	0	111.9	F303 P307 V324 L326 E342 I343 E344 Y348 L349 V350 F369 L381	F303-L346 HydrophobicContact CE1-CD2 3.66Å; F303-L346 HydrophobicContact CE1-CG 3.91Å; F303-L346 HydrophobicContact CZ-CD2 3.78Å; F303-L346 HydrophobicContact CZ-CG 4.2Å; P307-L346 HydrophobicContact CG-CD2 4.15Å; V324-L346 HydrophobicContact CG1-CD2 3.89Å; L326-L346 HydrophobicContact CD1-CD1 4.05Å; L326-L346 HydrophobicContact CD2-CD1 4.33Å; E342-L346 PolarHBondContact O-N 3.03Å; I343-L346 WeakPolarHBondContact O-CB 3.43Å; I343-L346 PolarHBondContact O-N 2.95Å; E344-L346 VanDerWaalsContact C-N 3.28Å; E344-L346 PolarHBondContact O-N 3.35Å; L346-Y348 PolarHBondContact O-N 3.12Å; L346-L349 WeakPolarHBondContact O-CB 3.47Å; L346-L349 PolarHBondContact O-N 3.34Å; L346-L349 VanDerWaalsContact O-N 3.12Å; L346-V350 WeakPolarHBondContact O-CG2 3.47Å; L346-V350 PolarHBondContact O-N 3.42Å; L346-F369 HydrophobicContact CD1-CD1 4.19Å; L346-F369 HydrophobicContact CD1-CE1 3.8Å; L346-L381 HydrophobicContact CB-CD2 3.93Å
347	G	95.8	Very high	94.4	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.01	26%	0.255	C	S	.	.	H	α-helix	trans	-56.1	-48.9	173.9	0	0	0	0	0	112.3	I343 E344 S345 L349 V350 Q351	I343-G347 PolarHBondContact O-N 2.84Å; E344-G347 PolarHBondContact O-N 3.28Å; S345-G347 VanDerWaalsContact C-N 3.27Å; S345-G347 PolarHBondContact O-N 3.38Å; G347-L349 VanDerWaalsContact C-N 3.26Å; G347-L349 PolarHBondContact O-N 2.91Å; G347-V350 PolarHBondContact O-N 3.31Å; G347-Q351 PolarHBondContact O-N 2.73Å
348	Y	93.9	Very high	94.4	Very high	179 Å²	179	51.8 Å²	51.8	70%	0.702	26%	0.26	S	S	*	.	H	α-helix	trans	-62.2	-34.4	175.6	-61.5	-65.8	0	0	0	112.9	S345 L346 Q351 A352	S345-Y348 PolarHBondContact O-N 3.11Å; L346-Y348 PolarHBondContact O-N 3.12Å; Y348-Q351 PolarHBondContact O-N 2.92Å; Y348-A352 VanDerWaalsContact O-CB 3.31Å; Y348-A352 WeakPolarHBondContact O-CB 3.09Å; Y348-A352 PolarHBondContact O-N 2.81Å
349	L	94.6	Very high	94.3	Very high	22 Å²	22	55.3 Å²	55.3	12%	0.115	29%	0.293	C	S	.	.	H	α-helix	trans	-67.5	-40.1	176.6	178.2	158	0	0	0	111.4	L289 P307 I322 S345 L346 G347 A352 F353 I365	L289-L349 HydrophobicContact CB-CD1 3.81Å; L289-L349 HydrophobicContact CD1-CD1 3.69Å; L289-L349 HydrophobicContact CD1-CD2 4.47Å; L289-L349 HydrophobicContact CD1-CG 4.25Å; L289-L349 HydrophobicContact CG-CD1 4.42Å; P307-L349 HydrophobicContact CB-CD1 3.94Å; P307-L349 HydrophobicContact CG-CD1 4.06Å; I322-L349 HydrophobicContact CD1-CD1 4.45Å; I322-L349 HydrophobicContact CD1-CD2 3.22Å; I322-L349 HydrophobicContact CD1-CG 4.29Å; S345-L349 PolarHBondContact O-N 2.83Å; L346-L349 WeakPolarHBondContact O-CB 3.47Å; L346-L349 PolarHBondContact O-N 3.34Å; L346-L349 VanDerWaalsContact O-N 3.12Å; G347-L349 VanDerWaalsContact C-N 3.26Å; G347-L349 PolarHBondContact O-N 2.91Å; L349-A352 PolarHBondContact O-N 3.19Å; L349-F353 PolarHBondContact O-N 2.78Å; L349-I365 HydrophobicContact CD2-CD1 4.3Å
350	V	96.2	Very high	94.1	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-44.7	174.9	174.1	0	0	0	0	110.6	L346 G347 A352 F353 Y354 L363 I365 L381 H384 L386	L346-V350 WeakPolarHBondContact O-CG2 3.47Å; L346-V350 PolarHBondContact O-N 3.42Å; G347-V350 PolarHBondContact O-N 3.31Å; V350-A352 PolarHBondContact O-N 3.24Å; V350-F353 WeakPolarHBondContact O-CB 3.4Å; V350-F353 PolarHBondContact O-N 3.44Å; V350-F353 VanDerWaalsContact O-N 3.16Å; V350-Y354 HydrophobicContact CG1-CD2 3.87Å; V350-Y354 HydrophobicContact CG1-CE2 3.39Å; V350-Y354 WeakPolarHBondContact O-CD2 3.44Å; V350-Y354 PolarHBondContact O-N 2.84Å; V350-Y354 VanDerWaalsContact O-N 3.11Å; V350-L363 HydrophobicContact CG1-CD2 4.32Å; V350-L363 HydrophobicContact CG2-CD2 4.16Å; V350-I365 HydrophobicContact CG2-CD1 3.7Å; V350-L381 HydrophobicContact CG2-CD2 4.06Å; V350-H384 HydrophobicContact CB-CB 4.22Å; V350-H384 HydrophobicContact CG1-CB 3.52Å; V350-L386 HydrophobicContact CB-CD1 4.44Å; V350-L386 HydrophobicContact CG1-CD1 3.45Å; V350-L386 VanDerWaalsContact CG1-CD1 3.45Å; V350-L386 HydrophobicContact CG2-CD1 4.08Å; V350-L386 HydrophobicContact CG2-CD2 3.89Å
351	Q	94.5	Very high	94.1	Very high	77 Å²	77	55.9 Å²	55.9	36%	0.36	31%	0.307	S	S	.	.	H	α-helix	trans	-57.4	-49.4	175.2	-176.3	63.6	24.2	0	0	111.1	G347 Y348 F353 Y354 E355 H384	G347-Q351 PolarHBondContact O-N 2.73Å; Y348-Q351 PolarHBondContact O-N 2.92Å; Q351-F353 VanDerWaalsContact C-N 3.27Å; Q351-F353 PolarHBondContact O-N 2.81Å; Q351-Y354 PolarHBondContact O-N 3.44Å; Q351-Y354 VanDerWaalsContact O-N 3.16Å; Q351-E355 WeakPolarHBondContact CG-OE1 3.42Å; Q351-E355 PolarHBondContact NE2-OE1 2.7Å; Q351-E355 WeakPolarHBondContact O-CG 3.34Å; Q351-E355 PolarHBondContact O-N 3.08Å; Q351-H384 PolarHBondContact OE1-CD2 2.86Å
352	A	93.6	Very high	94.2	Very high	42 Å²	42	54.8 Å²	54.8	35%	0.347	30%	0.296	S	S	.	.	H	α-helix	trans	-61.6	-33.7	177.2	0	0	0	0	0	112.7	Y348 L349 V350 E355 T356	Y348-A352 VanDerWaalsContact O-CB 3.31Å; Y348-A352 WeakPolarHBondContact O-CB 3.09Å; Y348-A352 PolarHBondContact O-N 2.81Å; L349-A352 PolarHBondContact O-N 3.19Å; V350-A352 PolarHBondContact O-N 3.24Å; A352-E355 PolarHBondContact O-N 2.7Å; A352-T356 WeakPolarHBondContact O-CB 3.22Å; A352-T356 VanDerWaalsContact O-CG2 3.26Å; A352-T356 WeakPolarHBondContact O-CG2 3.13Å; A352-T356 PolarHBondContact O-N 2.71Å; A352-T356 VanDerWaalsContact O-N 3.11Å; A352-T356 PolarHBondContact O-OG1 3.28Å
353	F	95	Very high	94.2	Very high	14 Å²	14	54.8 Å²	54.8	6%	0.061	30%	0.296	C	S	.	.	H	α-helix	trans	-60.3	-52.2	172.9	166.5	-87.5	0	0	0	110.9	V320 L349 V350 Q351 E355 T356 Q357 T361 L363	V320-F353 HydrophobicContact CB-CD2 4.13Å; V320-F353 HydrophobicContact CB-CE2 3.68Å; V320-F353 HydrophobicContact CG1-CD2 4.38Å; V320-F353 HydrophobicContact CG1-CE2 4.42Å; V320-F353 HydrophobicContact CG2-CD2 4.23Å; V320-F353 HydrophobicContact CG2-CE2 3.68Å; L349-F353 PolarHBondContact O-N 2.78Å; V350-F353 WeakPolarHBondContact O-CB 3.4Å; V350-F353 PolarHBondContact O-N 3.44Å; V350-F353 VanDerWaalsContact O-N 3.16Å; Q351-F353 VanDerWaalsContact C-N 3.27Å; Q351-F353 PolarHBondContact O-N 2.81Å; F353-E355 VanDerWaalsContact C-N 3.26Å; F353-E355 PolarHBondContact O-N 3.25Å; F353-T356 PolarHBondContact O-N 2.77Å; F353-Q357 HydrophobicContact CD2-CB 4.15Å; F353-Q357 HydrophobicContact CD2-CG 3.34Å; F353-Q357 HydrophobicContact CE2-CB 3.9Å; F353-Q357 HydrophobicContact CE2-CG 3.43Å; F353-Q357 VanDerWaalsContact CE2-CG 3.43Å; F353-Q357 HydrophobicContact CG-CG 4.05Å; F353-Q357 HydrophobicContact CZ-CB 4.16Å; F353-Q357 HydrophobicContact CZ-CG 4.18Å; F353-Q357 WeakPolarHBondContact O-CB 3.41Å; F353-Q357 WeakPolarHBondContact O-CG 3.43Å; F353-Q357 PolarHBondContact O-N 3.41Å; F353-T361 HydrophobicContact CE2-CG2 4.03Å; F353-T361 HydrophobicContact CZ-CG2 4.03Å; F353-L363 HydrophobicContact CB-CD2 4.28Å; F353-L363 HydrophobicContact CD1-CB 4.03Å; F353-L363 HydrophobicContact CD1-CD2 3.86Å; F353-L363 HydrophobicContact CD1-CG 4.43Å; F353-L363 HydrophobicContact CD2-CB 4.33Å; F353-L363 HydrophobicContact CD2-CD1 3.96Å; F353-L363 HydrophobicContact CD2-CD2 4.42Å; F353-L363 HydrophobicContact CD2-CG 4.47Å; F353-L363 HydrophobicContact CE1-CB 3.67Å; F353-L363 HydrophobicContact CE1-CD2 4.36Å; F353-L363 HydrophobicContact CE2-CB 3.97Å; F353-L363 HydrophobicContact CE2-CD1 4.17Å; F353-L363 HydrophobicContact CG-CB 4.37Å; F353-L363 HydrophobicContact CG-CD1 4.28Å; F353-L363 HydrophobicContact CG-CD2 3.92Å; F353-L363 HydrophobicContact CG-CG 4.43Å; F353-L363 HydrophobicContact CZ-CB 3.65Å
354	Y	94.2	Very high	94.4	Very high	88 Å²	88	54.8 Å²	54.8	35%	0.345	30%	0.296	S	S	.	.	H	α-helix	trans	-65.3	-29.2	-178.7	-67.8	-54	0	0	0	113.2	V350 Q351 H384	V350-Y354 HydrophobicContact CG1-CD2 3.87Å; V350-Y354 HydrophobicContact CG1-CE2 3.39Å; V350-Y354 WeakPolarHBondContact O-CD2 3.44Å; V350-Y354 PolarHBondContact O-N 2.84Å; V350-Y354 VanDerWaalsContact O-N 3.11Å; Q351-Y354 PolarHBondContact O-N 3.44Å; Q351-Y354 VanDerWaalsContact O-N 3.16Å; Y354-H384 VanDerWaalsContact CE2-O 3.29Å; Y354-H384 WeakPolarHBondContact CE2-O 3.15Å; Y354-H384 PolarHBondContact OH-O 3.38Å
355	E	94.4	Very high	94.5	Very high	136 Å²	136	49.8 Å²	49.8	64%	0.636	27%	0.273	S	S	*	.	H	α-helix	trans	-76.6	-26.3	177	-71	172.5	-177	0	0	113.6	Q351 A352 F353	Q351-E355 WeakPolarHBondContact CG-OE1 3.42Å; Q351-E355 PolarHBondContact NE2-OE1 2.7Å; Q351-E355 WeakPolarHBondContact O-CG 3.34Å; Q351-E355 PolarHBondContact O-N 3.08Å; A352-E355 PolarHBondContact O-N 2.7Å; F353-E355 VanDerWaalsContact C-N 3.26Å; F353-E355 PolarHBondContact O-N 3.25Å
356	T	93.1	Very high	94.7	Very high	94 Å²	94	49.1 Å²	49.1	58%	0.577	27%	0.268	S	S	*	.	H	α-helix	trans	-113.4	-24.2	-169.1	61.8	0	0	0	0	114.7	A352 F353	A352-T356 WeakPolarHBondContact O-CB 3.22Å; A352-T356 VanDerWaalsContact O-CG2 3.26Å; A352-T356 WeakPolarHBondContact O-CG2 3.13Å; A352-T356 PolarHBondContact O-N 2.71Å; A352-T356 VanDerWaalsContact O-N 3.11Å; A352-T356 PolarHBondContact O-OG1 3.28Å; F353-T356 PolarHBondContact O-N 2.77Å
357	Q	93.8	Very high	94.8	Very high	79 Å²	79	49.1 Å²	49.1	37%	0.369	27%	0.268	S	S	.	.	S	Bend	trans	-89.4	143.9	-177.1	-59.7	-48.6	-64.7	0	0	111.7	V320 F353 T361	V320-Q357 HydrophobicContact CG2-CG 4.46Å; F353-Q357 HydrophobicContact CD2-CB 4.15Å; F353-Q357 HydrophobicContact CD2-CG 3.34Å; F353-Q357 HydrophobicContact CE2-CB 3.9Å; F353-Q357 HydrophobicContact CE2-CG 3.43Å; F353-Q357 VanDerWaalsContact CE2-CG 3.43Å; F353-Q357 HydrophobicContact CG-CG 4.05Å; F353-Q357 HydrophobicContact CZ-CB 4.16Å; F353-Q357 HydrophobicContact CZ-CG 4.18Å; F353-Q357 WeakPolarHBondContact O-CB 3.41Å; F353-Q357 WeakPolarHBondContact O-CG 3.43Å; F353-Q357 PolarHBondContact O-N 3.41Å; Q357-T361 HydrophobicContact CB-CG2 4.3Å
358	P	92.2	Very high	94.8	Very high	91 Å²	91	49.1 Å²	49.1	59%	0.591	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-59	145.9	176.3	-22.4	32.7	0	0	0	112.2	G360 T361	P358-G360 PolarHBondContact O-N 3.03Å; P358-T361 VanDerWaalsContact O-CB 3.27Å; P358-T361 WeakPolarHBondContact O-CB 3.46Å; P358-T361 PolarHBondContact O-N 3.49Å; P358-T361 VanDerWaalsContact O-N 3.08Å; P358-T361 PolarHBondContact O-OG1 2.91Å
359	S	89.7	Confident	94.9	Very high	132 Å²	132	40.7 Å²	40.7	92%	0.923	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51	137.7	169.8	-57.8	0	0	0	0	111.2
360	G	89.8	Confident	94.8	Very high	41 Å²	41	40.2 Å²	40.2	42%	0.423	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.9	4.9	-174.6	0	0	0	0	0	114.6	P358 Y362	P358-G360 PolarHBondContact O-N 3.03Å; G360-Y362 WeakPolarHBondContact O-CD2 3.38Å; G360-Y362 WeakPolarHBondContact O-CE2 3.42Å
361	T	94	Very high	94.6	Very high	14 Å²	14	41 Å²	41	9%	0.086	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	131.2	166.3	-50.5	0	0	0	0	109.7	N318 V320 F353 Q357 P358	N318-T361 HydrophobicContact CB-CG2 4.31Å; N318-T361 WeakPolarHBondContact O-CA 3.23Å; V320-T361 HydrophobicContact CG2-CG2 3.9Å; F353-T361 HydrophobicContact CE2-CG2 4.03Å; F353-T361 HydrophobicContact CZ-CG2 4.03Å; Q357-T361 HydrophobicContact CB-CG2 4.3Å; P358-T361 VanDerWaalsContact O-CB 3.27Å; P358-T361 WeakPolarHBondContact O-CB 3.46Å; P358-T361 PolarHBondContact O-N 3.49Å; P358-T361 VanDerWaalsContact O-N 3.08Å; P358-T361 PolarHBondContact O-OG1 2.91Å
362	Y	95.3	Very high	94.4	Very high	21 Å²	21	38.7 Å²	38.7	8%	0.082	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	147.4	-178.1	-55.5	-91.3	0	0	0	111.1	V317 N318 L319 V320 G360 N419 L420 S426 I428	V317-Y362 HydrophobicContact CG1-CD2 3.71Å; V317-Y362 HydrophobicContact CG1-CE2 3.79Å; N318-Y362 WeakPolarHBondContact O-CD2 3.26Å; N318-Y362 PolarHBondContact O-N 3.43Å; L319-Y362 CarbonylContact C-O 3.49Å; L319-Y362 WeakPolarHBondContact CA-O 3.35Å; V320-Y362 PolarHBondContact N-O 3.15Å; G360-Y362 WeakPolarHBondContact O-CD2 3.38Å; G360-Y362 WeakPolarHBondContact O-CE2 3.42Å; Y362-N419 HydrophobicContact CD1-CB 3.72Å; Y362-N419 HydrophobicContact CE1-CB 3.56Å; Y362-N419 VanDerWaalsContact CE1-O 3.31Å; Y362-N419 WeakPolarHBondContact CE1-O 3.04Å; Y362-L420 HydrophobicContact CD1-CD2 3.68Å; Y362-L420 HydrophobicContact CD1-CG 3.83Å; Y362-L420 HydrophobicContact CE1-CD2 4.44Å; Y362-L420 HydrophobicContact CG-CD2 3.91Å; Y362-L420 HydrophobicContact CG-CG 4.21Å; Y362-S426 VanDerWaalsContact OH-CB 3.26Å; Y362-S426 WeakPolarHBondContact OH-CB 3.45Å; Y362-I428 HydrophobicContact CD1-CG2 3.8Å; Y362-I428 HydrophobicContact CD2-CG2 3.48Å; Y362-I428 VanDerWaalsContact CD2-CG2 3.48Å; Y362-I428 HydrophobicContact CE1-CG2 3.53Å; Y362-I428 HydrophobicContact CE2-CG2 3.23Å; Y362-I428 HydrophobicContact CG-CG2 3.78Å
363	L	97.4	Very high	94.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.9	-178.5	177.5	64.1	0	0	0	111.5	V320 I322 V350 F353 I365 L386 S417	V320-L363 HydrophobicContact CB-CD1 4.29Å; V320-L363 HydrophobicContact CG1-CD1 4.21Å; I322-L363 HydrophobicContact CD1-CD1 3.58Å; I322-L363 HydrophobicContact CG1-CD1 3.91Å; V350-L363 HydrophobicContact CG1-CD2 4.32Å; V350-L363 HydrophobicContact CG2-CD2 4.16Å; F353-L363 HydrophobicContact CB-CD2 4.28Å; F353-L363 HydrophobicContact CD1-CB 4.03Å; F353-L363 HydrophobicContact CD1-CD2 3.86Å; F353-L363 HydrophobicContact CD1-CG 4.43Å; F353-L363 HydrophobicContact CD2-CB 4.33Å; F353-L363 HydrophobicContact CD2-CD1 3.96Å; F353-L363 HydrophobicContact CD2-CD2 4.42Å; F353-L363 HydrophobicContact CD2-CG 4.47Å; F353-L363 HydrophobicContact CE1-CB 3.67Å; F353-L363 HydrophobicContact CE1-CD2 4.36Å; F353-L363 HydrophobicContact CE2-CB 3.97Å; F353-L363 HydrophobicContact CE2-CD1 4.17Å; F353-L363 HydrophobicContact CG-CB 4.37Å; F353-L363 HydrophobicContact CG-CD1 4.28Å; F353-L363 HydrophobicContact CG-CD2 3.92Å; F353-L363 HydrophobicContact CG-CG 4.43Å; F353-L363 HydrophobicContact CZ-CB 3.65Å; L363-I365 HydrophobicContact CD1-CG1 4.14Å; L363-I365 HydrophobicContact CD2-CD1 4.25Å; L363-I365 HydrophobicContact CD2-CG1 4.29Å; L363-I365 HydrophobicContact CG-CG1 4.11Å; L363-L386 HydrophobicContact CD2-CD2 4.33Å; L363-S417 PolarHBondContact N-OG 3.04Å; L363-S417 VanDerWaalsContact N-OG 3.14Å; L363-S417 PolarHBondContact O-N 3.46Å; L363-S417 PolarHBondContact O-OG 2.79Å
364	I	98	Very high	94.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.2	170.5	-58.9	-177.4	0	0	0	108	I177 L319 V320 L321 I322 W415 L416 L420 F466	I177-I364 HydrophobicContact CD1-CD1 3.79Å; L319-I364 HydrophobicContact CD2-CD1 3.7Å; L319-I364 HydrophobicContact CD2-CG1 4.26Å; V320-I364 PolarHBondContact O-N 3.28Å; L321-I364 CarbonylContact C-O 3.54Å; L321-I364 WeakPolarHBondContact CA-O 3.45Å; L321-I364 HydrophobicContact CD2-CB 3.91Å; L321-I364 HydrophobicContact CD2-CD1 3.94Å; L321-I364 HydrophobicContact CD2-CG1 4.3Å; L321-I364 HydrophobicContact CD2-CG2 4.33Å; I322-I364 PolarHBondContact N-O 2.91Å; I364-W415 CarbonylContact C-O 3.58Å; I364-W415 WeakPolarHBondContact CA-O 3.46Å; I364-L416 HydrophobicContact CB-CD2 4.28Å; I364-L416 HydrophobicContact CD1-CD2 4.24Å; I364-L416 HydrophobicContact CG1-CD2 3.84Å; I364-L416 HydrophobicContact CG2-CD2 3.9Å; I364-L420 HydrophobicContact CD1-CD1 4.13Å; I364-L420 HydrophobicContact CG1-CD1 3.69Å; I364-F466 HydrophobicContact CD1-CE2 4.09Å; I364-F466 HydrophobicContact CD1-CZ 4.09Å; I364-F466 HydrophobicContact CG2-CZ 3.82Å
365	I	98.3	Very high	94	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	116.6	171.6	-49	-176.1	0	0	0	108.1	I322 V324 L349 V350 L363 F369 L386 A414 W415	I322-I365 HydrophobicContact CB-CB 4.42Å; I322-I365 HydrophobicContact CB-CG1 4.17Å; I322-I365 HydrophobicContact CB-CG2 4.2Å; I322-I365 HydrophobicContact CD1-CG1 4.34Å; I322-I365 HydrophobicContact CG2-CG2 4.29Å; I322-I365 CarbonylContact O-C 3.38Å; I322-I365 WeakPolarHBondContact O-CA 3.4Å; V324-I365 HydrophobicContact CG1-CG2 3.6Å; V324-I365 HydrophobicContact CG2-CG2 4.11Å; L349-I365 HydrophobicContact CD2-CD1 4.3Å; V350-I365 HydrophobicContact CG2-CD1 3.7Å; L363-I365 HydrophobicContact CD1-CG1 4.14Å; L363-I365 HydrophobicContact CD2-CD1 4.25Å; L363-I365 HydrophobicContact CD2-CG1 4.29Å; L363-I365 HydrophobicContact CG-CG1 4.11Å; I365-F369 HydrophobicContact CG2-CE1 4.29Å; I365-F369 HydrophobicContact CG2-CZ 3.87Å; I365-L386 HydrophobicContact CD1-CD2 3.76Å; I365-L386 HydrophobicContact CG1-CD2 4.13Å; I365-A414 CarbonylContact O-C 3.56Å; I365-A414 WeakPolarHBondContact O-CA 3.3Å; I365-W415 HydrophobicContact CB-CB 4.4Å; I365-W415 PolarHBondContact N-O 3.15Å; I365-W415 PolarHBondContact O-N 2.9Å
366	A	98.5	Very high	94	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	152.1	-177.6	0	0	0	0	0	112.3	L212 I322 S323 V324 N413 A414	L212-A366 HydrophobicContact CD2-CB 4.28Å; I322-A366 PolarHBondContact O-N 2.8Å; S323-A366 WeakPolarHBondContact CA-O 3.2Å; V324-A366 PolarHBondContact N-O 2.97Å; A366-N413 WeakPolarHBondContact CA-O 3.19Å; A366-A414 HydrophobicContact CB-CB 3.71Å
367	G	98.1	Very high	94	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	150.6	-162.3	-178.9	0	0	0	0	0	113.9	S179 V324 F369 D412 N413	S179-G367 VanDerWaalsContact OG-CA 3.29Å; S179-G367 WeakPolarHBondContact OG-CA 3.2Å; S179-G367 PolarHBondContact OG-N 3.25Å; V324-G367 VanDerWaalsContact O-CA 3.32Å; V324-G367 WeakPolarHBondContact O-CA 3.5Å; G367-F369 VanDerWaalsContact O-CD2 3.28Å; G367-F369 WeakPolarHBondContact O-CD2 3.35Å; G367-D412 VanDerWaalsContact O-CA 3.31Å; G367-D412 WeakPolarHBondContact O-CA 3.25Å; G367-N413 PolarHBondContact N-O 2.9Å; G367-N413 VanDerWaalsContact N-O 3.07Å; G367-N413 PolarHBondContact O-N 3.13Å; G367-N413 VanDerWaalsContact O-N 3.09Å
368	D	96.4	Very high	94.1	Very high	2 Å²	2	34 Å²	34	1%	0.011	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	105.8	173.8	176.4	10.7	0	0	0	109.7	N181 V324 H325 L326 N370 Y411 H461	N181-D368 HydrophobicContact CB-CB 4.42Å; N181-D368 PolarHBondContact ND2-OD2 2.82Å; V324-D368 PolarHBondContact O-N 2.93Å; H325-D368 CarbonylContact C-O 3.46Å; H325-D368 WeakPolarHBondContact CA-O 3.12Å; H325-D368 IonicContact CD2-OD2 2.85Å; H325-D368 PolarHBondContact CD2-OD2 2.85Å; H325-D368 IonicContact NE2-OD2 2.77Å; L326-D368 PolarHBondContact N-O 3.31Å; D368-N370 VanDerWaalsContact CG-ND2 3.25Å; D368-N370 PolarHBondContact OD1-N 3.44Å; D368-N370 PolarHBondContact OD1-ND2 2.84Å; D368-N370 VanDerWaalsContact OD1-ND2 3.13Å; D368-N370 PolarHBondContact OD2-ND2 3.43Å; D368-Y411 WeakPolarHBondContact OD1-CB 3.22Å; D368-H461 IonicContact OD1-CE1 3.5Å; D368-H461 IonicContact OD2-CE1 3.9Å; D368-H461 PolarHBondContact OD2-CE1 2.91Å; D368-H461 IonicContact OD2-NE2 2.73Å
369	F	95.8	Very high	94.2	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	21%	0.21	C	C	.	.			trans	-91.2	-9.1	-179.7	-69.7	-99.8	0	0	0	113.5	V324 L326 L346 I365 G367 L371 Y378 Y411 N413 W415	V324-F369 HydrophobicContact CG2-CD1 4.11Å; V324-F369 HydrophobicContact CG2-CD2 4.13Å; V324-F369 HydrophobicContact CG2-CE1 3.7Å; V324-F369 HydrophobicContact CG2-CE2 3.67Å; V324-F369 HydrophobicContact CG2-CG 4.31Å; V324-F369 HydrophobicContact CG2-CZ 3.44Å; V324-F369 VanDerWaalsContact CG2-CZ 3.44Å; L326-F369 HydrophobicContact CD1-CB 4.27Å; L326-F369 HydrophobicContact CD1-CD1 3.85Å; L326-F369 HydrophobicContact CD1-CG 4.46Å; L326-F369 HydrophobicContact CG-CD1 4.45Å; L346-F369 HydrophobicContact CD1-CD1 4.19Å; L346-F369 HydrophobicContact CD1-CE1 3.8Å; I365-F369 HydrophobicContact CG2-CE1 4.29Å; I365-F369 HydrophobicContact CG2-CZ 3.87Å; G367-F369 VanDerWaalsContact O-CD2 3.28Å; G367-F369 WeakPolarHBondContact O-CD2 3.35Å; F369-L371 PolarHBondContact O-N 3.12Å; F369-Y378 HydrophobicContact CB-CE1 4.38Å; F369-Y378 WeakPolarHBondContact CB-OH 3.45Å; F369-Y378 AromaticContact CD1-CE1 3.8Å; F369-Y378 HydrophobicContact CD1-CE1 3.8Å; F369-Y378 HydrophobicContact CG-CE1 4.42Å; F369-Y378 PolarHBondContact O-OH 3.4Å; F369-Y411 WeakPolarHBondContact CA-O 3.41Å; F369-Y411 PolarHBondContact N-O 3.39Å; F369-N413 HydrophobicContact CD2-CB 4.26Å; F369-N413 HydrophobicContact CE2-CB 4.4Å; F369-N413 WeakPolarHBondContact CE2-O 3.33Å; F369-W415 AromaticContact CE1-CD1 3.65Å; F369-W415 AromaticContact CE1-NE1 3.69Å; F369-W415 AromaticContact CE2-CD1 3.7Å; F369-W415 AromaticContact CE2-NE1 3.94Å; F369-W415 AromaticContact CZ-CD1 3.22Å; F369-W415 HydrophobicContact CZ-CG 4.32Å; F369-W415 AromaticContact CZ-NE1 3.63Å
370	N	93	Very high	94.5	Very high	11 Å²	11	32.7 Å²	32.7	6%	0.059	17%	0.173	C	C	.	.	S	Bend	trans	58.6	7.5	178.6	-84.8	-77.3	0	0	0	117	L326 A328 T339 D368 Y411	L326-N370 PolarHBondContact O-ND2 3.42Å; A328-N370 VanDerWaalsContact CA-CG 3.45Å; A328-N370 WeakPolarHBondContact CA-OD1 3.49Å; A328-N370 WeakPolarHBondContact CB-OD1 3.18Å; T339-N370 HydrophobicContact CG2-CB 4.28Å; D368-N370 VanDerWaalsContact CG-ND2 3.25Å; D368-N370 PolarHBondContact OD1-N 3.44Å; D368-N370 PolarHBondContact OD1-ND2 2.84Å; D368-N370 VanDerWaalsContact OD1-ND2 3.13Å; D368-N370 PolarHBondContact OD2-ND2 3.43Å; N370-Y411 PolarHBondContact N-O 3.48Å
371	L	90.9	Very high	94.8	Very high	17 Å²	17	30.7 Å²	30.7	9%	0.089	15%	0.153	C	C	.	.	S	Bend	trans	-138.9	155	167.4	-65.1	175.2	0	0	0	109.8	I336 T339 I340 I343 F369 H375 Y378 A410	I336-L371 HydrophobicContact CD1-CD2 4.29Å; I336-L371 HydrophobicContact CG1-CD2 4.29Å; T339-L371 HydrophobicContact CG2-CD1 3.86Å; T339-L371 HydrophobicContact CG2-CG 3.83Å; I340-L371 HydrophobicContact CG1-CD1 4.36Å; I343-L371 HydrophobicContact CD1-CD1 3.71Å; F369-L371 PolarHBondContact O-N 3.12Å; L371-H375 HydrophobicContact CB-CB 4.35Å; L371-Y378 HydrophobicContact CB-CE2 3.81Å; L371-Y378 WeakPolarHBondContact CB-OH 3.16Å; L371-Y378 PolarHBondContact O-OH 3.46Å; L371-A410 CarbonylContact C-O 3.6Å
372	S	90.2	Very high	94.9	Very high	28 Å²	28	34.6 Å²	34.6	20%	0.196	17%	0.17	C	C	.	.			trans	-65.3	141.1	174.1	174.9	0	0	0	0	111	T374 H375 Y378 G392 A410	S372-T374 PolarHBondContact O-N 2.64Å; S372-T374 PolarHBondContact OG-OG1 2.83Å; S372-H375 WeakPolarHBondContact O-CB 3.11Å; S372-H375 PolarHBondContact O-N 3.27Å; S372-Y378 WeakPolarHBondContact O-CD2 2.96Å; S372-Y378 WeakPolarHBondContact O-CE2 3.38Å; S372-G392 VanDerWaalsContact OG-CA 3.28Å; S372-G392 WeakPolarHBondContact OG-CA 3.48Å; S372-G392 PolarHBondContact OG-O 3.4Å; S372-A410 WeakPolarHBondContact CA-O 2.96Å; S372-A410 PolarHBondContact N-O 2.83Å
373	S	91.6	Very high	94.9	Very high	10 Å²	10	39.5 Å²	39.5	7%	0.07	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.5	179.5	53.8	0	0	0	0	114.2	H375 L390 G392 N413	S373-H375 VanDerWaalsContact C-N 3.34Å; S373-L390 PolarHBondContact OG-O 3.46Å; S373-G392 VanDerWaalsContact OG-CA 3.31Å; S373-G392 WeakPolarHBondContact OG-CA 3.42Å; S373-G392 PolarHBondContact OG-N 3.45Å; S373-N413 VanDerWaalsContact CB-ND2 3.33Å; S373-N413 WeakPolarHBondContact CB-ND2 3.39Å; S373-N413 PolarHBondContact OG-ND2 2.78Å
374	T	91.3	Very high	94.7	Very high	110 Å²	110	41.7 Å²	41.7	68%	0.675	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-1.9	174.6	58.4	0	0	0	0	113.6	S372	S372-T374 PolarHBondContact O-N 2.64Å; S372-T374 PolarHBondContact OG-OG1 2.83Å
375	H	92.2	Very high	94.5	Very high	56 Å²	56	43 Å²	43	26%	0.259	22%	0.218	S	C	.	.	S	Bend	trans	-68.4	138.9	177.8	-169	-80.8	0	0	0	111	L371 S372 S373 A377 Y378	L371-H375 HydrophobicContact CB-CB 4.35Å; S372-H375 WeakPolarHBondContact O-CB 3.11Å; S372-H375 PolarHBondContact O-N 3.27Å; S373-H375 VanDerWaalsContact C-N 3.34Å; H375-A377 VanDerWaalsContact ND1-CB 3.31Å; H375-A377 WeakPolarHBondContact ND1-CB 3.27Å; H375-A377 PolarHBondContact ND1-N 3.12Å; H375-A377 PolarHBondContact O-N 3.09Å; H375-Y378 HydrophobicContact CB-CD2 4.07Å; H375-Y378 HydrophobicContact CB-CE2 4.18Å; H375-Y378 PolarHBondContact O-N 3Å
376	E	93.8	Very high	94.4	Very high	163 Å²	163	43.1 Å²	43.1	76%	0.762	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-57.6	-27.9	-174.5	64	175.9	178.8	0	0	114.3	Y378 R379	E376-Y378 PolarHBondContact O-N 3.35Å; E376-Y378 VanDerWaalsContact O-N 3.11Å; E376-R379 VanDerWaalsContact O-CB 3.25Å; E376-R379 WeakPolarHBondContact O-CB 3.32Å; E376-R379 PolarHBondContact O-N 2.86Å
377	A	94	Very high	94.2	Very high	15 Å²	15	45.8 Å²	45.8	12%	0.124	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-55.2	-28.5	176.3	0	0	0	0	0	113.2	I340 I343 H375 R379	I340-A377 HydrophobicContact CB-CB 4.47Å; I340-A377 HydrophobicContact CG1-CB 4.01Å; I340-A377 HydrophobicContact CG2-CB 4.18Å; I343-A377 HydrophobicContact CD1-CB 3.95Å; I343-A377 HydrophobicContact CG2-CB 4.38Å; I343-A377 VanDerWaalsContact CG2-O 3.23Å; I343-A377 WeakPolarHBondContact CG2-O 3.34Å; H375-A377 VanDerWaalsContact ND1-CB 3.31Å; H375-A377 WeakPolarHBondContact ND1-CB 3.27Å; H375-A377 PolarHBondContact ND1-N 3.12Å; H375-A377 PolarHBondContact O-N 3.09Å; A377-R379 PolarHBondContact O-N 3.17Å
378	Y	95	Very high	94.1	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-80	0.3	178.2	-64.7	-69.1	0	0	0	114.4	I343 F369 L371 S372 H375 E376 V380 L381 H382 W415	I343-Y378 HydrophobicContact CB-CE1 4.41Å; I343-Y378 HydrophobicContact CD1-CD1 4.26Å; I343-Y378 HydrophobicContact CD1-CE1 3.57Å; I343-Y378 HydrophobicContact CD1-CE2 4.08Å; I343-Y378 VanDerWaalsContact CD1-CZ 3.44Å; I343-Y378 WeakPolarHBondContact CD1-OH 3.08Å; I343-Y378 HydrophobicContact CG1-CD1 4.35Å; I343-Y378 HydrophobicContact CG1-CE1 3.68Å; I343-Y378 HydrophobicContact CG2-CD1 3.6Å; I343-Y378 HydrophobicContact CG2-CE1 3.8Å; I343-Y378 HydrophobicContact CG2-CG 4.35Å; F369-Y378 HydrophobicContact CB-CE1 4.38Å; F369-Y378 WeakPolarHBondContact CB-OH 3.45Å; F369-Y378 AromaticContact CD1-CE1 3.8Å; F369-Y378 HydrophobicContact CD1-CE1 3.8Å; F369-Y378 HydrophobicContact CG-CE1 4.42Å; F369-Y378 PolarHBondContact O-OH 3.4Å; L371-Y378 HydrophobicContact CB-CE2 3.81Å; L371-Y378 WeakPolarHBondContact CB-OH 3.16Å; L371-Y378 PolarHBondContact O-OH 3.46Å; S372-Y378 WeakPolarHBondContact O-CD2 2.96Å; S372-Y378 WeakPolarHBondContact O-CE2 3.38Å; H375-Y378 HydrophobicContact CB-CD2 4.07Å; H375-Y378 HydrophobicContact CB-CE2 4.18Å; H375-Y378 PolarHBondContact O-N 3Å; E376-Y378 PolarHBondContact O-N 3.35Å; E376-Y378 VanDerWaalsContact O-N 3.11Å; Y378-V380 PolarHBondContact O-N 3.43Å; Y378-V380 VanDerWaalsContact O-N 3.14Å; Y378-L381 HydrophobicContact CD1-CD1 3.82Å; Y378-L381 HydrophobicContact CD1-CG 4.47Å; Y378-L381 HydrophobicContact CE1-CD1 4.46Å; Y378-L381 PolarHBondContact O-N 3.15Å; Y378-H382 PolarHBondContact O-N 3.38Å; Y378-W415 VanDerWaalsContact CB-CH2 3.46Å; Y378-W415 HydrophobicContact CD1-CH2 4.1Å; Y378-W415 AromaticContact CD1-CZ2 3.54Å; Y378-W415 HydrophobicContact CD1-CZ2 3.54Å; Y378-W415 HydrophobicContact CD2-CZ2 4.16Å; Y378-W415 HydrophobicContact CE1-CZ2 4.19Å; Y378-W415 AromaticContact CG-CH2 3.81Å; Y378-W415 HydrophobicContact CG-CH2 3.81Å; Y378-W415 AromaticContact CG-CZ2 3.55Å; Y378-W415 HydrophobicContact CG-CZ2 3.55Å
379	R	95.8	Very high	94	Very high	170 Å²	170	47.5 Å²	47.5	64%	0.642	24%	0.239	S	C	*	.	H	α-helix	trans	-53.8	-34.8	173.6	-166	-179.9	74.3	-152.9	-5.8	111.6	E376 A377 L381 H382 E383	E376-R379 VanDerWaalsContact O-CB 3.25Å; E376-R379 WeakPolarHBondContact O-CB 3.32Å; E376-R379 PolarHBondContact O-N 2.86Å; A377-R379 PolarHBondContact O-N 3.17Å; R379-L381 VanDerWaalsContact C-N 3.31Å; R379-L381 PolarHBondContact O-N 3.01Å; R379-H382 WeakPolarHBondContact O-CB 3.38Å; R379-H382 PolarHBondContact O-N 3.44Å; R379-E383 WeakPolarHBondContact CD-OE1 3.28Å; R379-E383 HydrophobicContact CG-CG 4.26Å; R379-E383 WeakPolarHBondContact CG-OE1 3.45Å; R379-E383 IonicContact CZ-OE1 3.58Å; R379-E383 IonicContact NE-OE1 2.71Å; R379-E383 PolarHBondContact NE-OE1 3.19Å; R379-E383 IonicContact NH2-OE1 3.48Å; R379-E383 WeakPolarHBondContact O-CB 3.41Å; R379-E383 WeakPolarHBondContact O-CG 3.48Å; R379-E383 PolarHBondContact O-N 2.8Å
380	V	95.9	Very high	93.9	Very high	25 Å²	25	47.5 Å²	47.5	15%	0.152	24%	0.24	C	C	.	.	H	α-helix	trans	-58.2	-39.2	175.6	70.6	0	0	0	0	112.7	I343 Y378 H384	I343-V380 HydrophobicContact CG2-CG1 3.96Å; Y378-V380 PolarHBondContact O-N 3.43Å; Y378-V380 VanDerWaalsContact O-N 3.14Å; V380-H384 PolarHBondContact O-N 2.95Å; V380-H384 PolarHBondContact O-ND1 3.4Å
381	L	96.5	Very high	93.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-71.5	-39.1	178.1	-63	-174.4	0	0	0	111.1	L346 V350 Y378 R379 H384 G385 L386 W415	L346-L381 HydrophobicContact CB-CD2 3.93Å; V350-L381 HydrophobicContact CG2-CD2 4.06Å; Y378-L381 HydrophobicContact CD1-CD1 3.82Å; Y378-L381 HydrophobicContact CD1-CG 4.47Å; Y378-L381 HydrophobicContact CE1-CD1 4.46Å; Y378-L381 PolarHBondContact O-N 3.15Å; R379-L381 VanDerWaalsContact C-N 3.31Å; R379-L381 PolarHBondContact O-N 3.01Å; L381-H384 CarbonylContact O-C 3.46Å; L381-H384 PolarHBondContact O-N 3.42Å; L381-G385 PolarHBondContact O-N 2.85Å; L381-L386 HydrophobicContact CB-CB 4.27Å; L381-L386 PolarHBondContact O-N 3.23Å; L381-W415 HydrophobicContact CB-CD2 4.45Å; L381-W415 HydrophobicContact CB-CE3 3.81Å; L381-W415 HydrophobicContact CB-CZ3 3.88Å; L381-W415 HydrophobicContact CD1-CD2 3.55Å; L381-W415 HydrophobicContact CD1-CE3 3.79Å; L381-W415 HydrophobicContact CD1-CG 3.94Å; L381-W415 HydrophobicContact CD1-CH2 4.44Å; L381-W415 HydrophobicContact CD1-CZ2 4.2Å; L381-W415 HydrophobicContact CD1-CZ3 4.22Å; L381-W415 HydrophobicContact CG-CE3 4.48Å
382	H	94.6	Very high	92.6	Very high	96 Å²	96	54.9 Å²	54.9	44%	0.444	27%	0.273	S	S	.	.	H	α-helix	trans	-62.5	-43.5	174.1	-75.6	-60.6	0	0	0	112.9	Y378 R379 H384 G385 L386 W415	Y378-H382 PolarHBondContact O-N 3.38Å; R379-H382 WeakPolarHBondContact O-CB 3.38Å; R379-H382 PolarHBondContact O-N 3.44Å; H382-H384 PolarHBondContact O-N 3.2Å; H382-G385 PolarHBondContact O-N 3.42Å; H382-L386 WeakPolarHBondContact CA-O 3.25Å; H382-L386 PolarHBondContact ND1-O 2.97Å; H382-L386 VanDerWaalsContact ND1-O 3.13Å; H382-W415 AromaticContact CE1-CZ3 3.87Å; H382-W415 AromaticContact NE2-CH2 3.9Å; H382-W415 AromaticContact NE2-CZ3 3.76Å
383	E	95	Very high	91.9	Very high	123 Å²	123	61 Å²	61	58%	0.575	30%	0.299	S	S	*	.	H	α-helix	trans	-60.9	-29.3	176.3	-74.2	168.1	-174.6	0	0	111.9	R379 G385	R379-E383 WeakPolarHBondContact CD-OE1 3.28Å; R379-E383 HydrophobicContact CG-CG 4.26Å; R379-E383 WeakPolarHBondContact CG-OE1 3.45Å; R379-E383 IonicContact CZ-OE1 3.58Å; R379-E383 IonicContact NE-OE1 2.71Å; R379-E383 PolarHBondContact NE-OE1 3.19Å; R379-E383 IonicContact NH2-OE1 3.48Å; R379-E383 WeakPolarHBondContact O-CB 3.41Å; R379-E383 WeakPolarHBondContact O-CG 3.48Å; R379-E383 PolarHBondContact O-N 2.8Å; E383-G385 VanDerWaalsContact C-N 3.31Å
384	H	94.5	Very high	91.6	Very high	46 Å²	46	63.9 Å²	63.9	21%	0.213	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	16	172.6	-63.8	78.7	0	0	0	113.5	V350 Q351 Y354 V380 L381 H382 L386	V350-H384 HydrophobicContact CB-CB 4.22Å; V350-H384 HydrophobicContact CG1-CB 3.52Å; Q351-H384 PolarHBondContact OE1-CD2 2.86Å; Y354-H384 VanDerWaalsContact CE2-O 3.29Å; Y354-H384 WeakPolarHBondContact CE2-O 3.15Å; Y354-H384 PolarHBondContact OH-O 3.38Å; V380-H384 PolarHBondContact O-N 2.95Å; V380-H384 PolarHBondContact O-ND1 3.4Å; L381-H384 CarbonylContact O-C 3.46Å; L381-H384 PolarHBondContact O-N 3.42Å; H382-H384 PolarHBondContact O-N 3.2Å; H384-L386 WeakPolarHBondContact O-CD1 3.42Å; H384-L386 PolarHBondContact O-N 3.31Å
385	G	93.4	Very high	91.4	Very high	28 Å²	28	60.6 Å²	60.6	29%	0.289	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	23.9	172.2	0	0	0	0	0	115.1	L381 H382 E383 A418	L381-G385 PolarHBondContact O-N 2.85Å; H382-G385 PolarHBondContact O-N 3.42Å; E383-G385 VanDerWaalsContact C-N 3.31Å; G385-A418 PolarHBondContact O-N 3.03Å
386	L	95.8	Very high	91.5	Very high	3 Å²	3	58 Å²	58	2%	0.016	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	151.2	169.5	-78.5	68.6	0	0	0	110.8	V350 L363 I365 L381 H382 H384 W415 L416	V350-L386 HydrophobicContact CB-CD1 4.44Å; V350-L386 HydrophobicContact CG1-CD1 3.45Å; V350-L386 VanDerWaalsContact CG1-CD1 3.45Å; V350-L386 HydrophobicContact CG2-CD1 4.08Å; V350-L386 HydrophobicContact CG2-CD2 3.89Å; L363-L386 HydrophobicContact CD2-CD2 4.33Å; I365-L386 HydrophobicContact CD1-CD2 3.76Å; I365-L386 HydrophobicContact CG1-CD2 4.13Å; L381-L386 HydrophobicContact CB-CB 4.27Å; L381-L386 PolarHBondContact O-N 3.23Å; H382-L386 WeakPolarHBondContact CA-O 3.25Å; H382-L386 PolarHBondContact ND1-O 2.97Å; H382-L386 VanDerWaalsContact ND1-O 3.13Å; H384-L386 WeakPolarHBondContact O-CD1 3.42Å; H384-L386 PolarHBondContact O-N 3.31Å; L386-W415 HydrophobicContact CB-CB 4.33Å; L386-W415 HydrophobicContact CB-CE3 4.16Å; L386-W415 HydrophobicContact CD2-CB 3.9Å; L386-L416 VanDerWaalsContact CA-O 3.25Å; L386-L416 WeakPolarHBondContact CA-O 3.27Å
387	W	94.2	Very high	91.2	Very high	56 Å²	56	50.7 Å²	50.7	21%	0.212	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	151.1	169.2	55	81.3	0	0	0	111.2	W415 L416 S417 A418 L420 S421	W387-W415 CarbonylContact O-C 3.43Å; W387-W415 VanDerWaalsContact O-CA 3.23Å; W387-W415 WeakPolarHBondContact O-CA 3.34Å; W387-L416 HydrophobicContact CZ2-CB 4.02Å; W387-L416 PolarHBondContact N-O 2.96Å; W387-L416 VanDerWaalsContact N-O 3.15Å; W387-L416 PolarHBondContact O-N 3.34Å; W387-S417 WeakPolarHBondContact CH2-O 3.34Å; W387-S417 WeakPolarHBondContact CZ2-O 3.16Å; W387-A418 VanDerWaalsContact CH2-O 3.23Å; W387-A418 WeakPolarHBondContact CH2-O 3.1Å; W387-A418 HydrophobicContact CZ3-CB 4.35Å; W387-L420 HydrophobicContact CZ2-CB 4.26Å; W387-S421 VanDerWaalsContact CH2-CA 3.5Å; W387-S421 VanDerWaalsContact CH2-N 3.34Å
388	P	95.7	Very high	90.5	Very high	31 Å²	31	50.7 Å²	50.7	20%	0.201	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	148.5	174.4	33.1	-33.5	0	0	0	110.6	A414 W415	P388-A414 CarbonylContact C-O 3.54Å; P388-A414 WeakPolarHBondContact CA-O 3.2Å; P388-W415 HydrophobicContact CB-CD2 4.19Å; P388-W415 HydrophobicContact CB-CE3 4.3Å; P388-W415 HydrophobicContact CB-CH2 4.07Å; P388-W415 HydrophobicContact CB-CZ2 4Å; P388-W415 HydrophobicContact CB-CZ3 4.25Å; P388-W415 VanDerWaalsContact CD-CZ3 3.49Å; P388-W415 HydrophobicContact CG-CH2 4.05Å; P388-W415 HydrophobicContact CG-CZ2 4.44Å; P388-W415 HydrophobicContact CG-CZ3 4.17Å
389	V	95	Very high	89.3	Confident	6 Å²	6	54.2 Å²	54.2	4%	0.036	26%	0.26	C	S	.	.	S	Bend	trans	-78.4	-49.2	173.2	164.6	0	0	0	0	110.4	N413 A414 L416 W430 F466	V389-N413 PolarHBondContact N-OD1 3.32Å; V389-A414 HydrophobicContact CB-CB 4.19Å; V389-A414 WeakPolarHBondContact CB-O 3.44Å; V389-A414 HydrophobicContact CG2-CB 3.87Å; V389-A414 WeakPolarHBondContact CG2-O 3.45Å; V389-A414 PolarHBondContact N-O 3.22Å; V389-L416 HydrophobicContact CG2-CD1 3.65Å; V389-L416 HydrophobicContact CG2-CD2 3.95Å; V389-L416 HydrophobicContact CG2-CG 3.66Å; V389-W430 HydrophobicContact CG1-CZ2 4.31Å; V389-F466 HydrophobicContact CG1-CB 3.54Å; V389-F466 HydrophobicContact CG1-CD1 4.23Å; V389-F466 HydrophobicContact CG1-CG 4.04Å; V389-F466 HydrophobicContact CG2-CB 4.36Å; V389-F466 HydrophobicContact CG2-CD1 4.26Å; V389-F466 HydrophobicContact CG2-CD2 4.4Å; V389-F466 HydrophobicContact CG2-CG 4.08Å
390	L	93.6	Very high	87.3	Confident	3 Å²	3	53.5 Å²	53.5	2%	0.016	26%	0.264	C	S	.	.	S	Bend	trans	-88	138.2	180	-58.8	-177.1	0	0	0	110.9	S373 T396 N413 V436 I464	S373-L390 PolarHBondContact OG-O 3.46Å; L390-T396 HydrophobicContact CD1-CG2 4.21Å; L390-N413 PolarHBondContact N-OD1 3.02Å; L390-N413 PolarHBondContact O-ND2 2.94Å; L390-V436 HydrophobicContact CD1-CG2 3.75Å; L390-I464 HydrophobicContact CD1-CB 3.83Å; L390-I464 HydrophobicContact CD1-CD1 4.38Å; L390-I464 HydrophobicContact CD1-CG2 3.45Å; L390-I464 VanDerWaalsContact CD1-CG2 3.45Å
391	K	83.2	Confident	84.7	Confident	173 Å²	173	55.3 Å²	55.3	75%	0.752	28%	0.277	S	S	*	.			trans	-70.3	136.1	170.5	-61.7	-179.1	-178.9	179.4	0	108.1	E393 Q394	K391-E393 PolarHBondContact O-N 2.88Å; K391-Q394 PolarHBondContact O-N 3.29Å; K391-Q394 VanDerWaalsContact O-N 3.14Å
392	G	73.1	Confident	82.1	Confident	10 Å²	10	65.4 Å²	65.4	10%	0.103	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	8.4	-169.2	0	0	0	0	0	117.5	S372 S373 A410	S372-G392 VanDerWaalsContact OG-CA 3.28Å; S372-G392 WeakPolarHBondContact OG-CA 3.48Å; S372-G392 PolarHBondContact OG-O 3.4Å; S373-G392 VanDerWaalsContact OG-CA 3.31Å; S373-G392 WeakPolarHBondContact OG-CA 3.42Å; S373-G392 PolarHBondContact OG-N 3.45Å; G392-A410 WeakPolarHBondContact O-CB 3.4Å
393	E	75	Confident	79.4	Confident	157 Å²	157	65 Å²	65	73%	0.734	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-9.4	178.9	-60.8	176.9	175.7	0	0	112.6	K391 Q395 L408	K391-E393 PolarHBondContact O-N 2.88Å; E393-Q395 PolarHBondContact O-N 3.4Å; E393-L408 WeakPolarHBondContact O-CD1 3.19Å
394	Q	85.3	Confident	76.7	Confident	70 Å²	70	63 Å²	63	33%	0.327	34%	0.342	S	S	.	.	S	Bend	trans	-80.1	115.6	-177	-65.7	176.1	-64.5	0	0	110.8	K391 T396 A410 V436	K391-Q394 PolarHBondContact O-N 3.29Å; K391-Q394 VanDerWaalsContact O-N 3.14Å; Q394-T396 PolarHBondContact O-N 3.45Å; Q394-A410 WeakPolarHBondContact O-CA 3.31Å; Q394-A410 WeakPolarHBondContact O-CB 3.26Å; Q394-V436 HydrophobicContact CB-CG2 4.09Å
395	Q	88.9	Confident	74.4	Confident	40 Å²	40	63.3 Å²	63.3	19%	0.187	35%	0.349	C	S	.	.			trans	-61.8	122	177.5	175.8	175.6	-9.7	0	0	111.1	E393 T397 N399 L408	E393-Q395 PolarHBondContact O-N 3.4Å; Q395-T397 WeakPolarHBondContact CG-O 3.04Å; Q395-T397 PolarHBondContact NE2-O 2.96Å; Q395-N399 PolarHBondContact NE2-O 2.92Å; Q395-L408 HydrophobicContact CB-CD2 3.88Å
396	T	92.4	Very high	72.1	Confident	1 Å²	1	69.3 Å²	69.3	1%	0.006	37%	0.374	C	S	.	.			trans	-108.2	-6.8	176.6	68.7	0	0	0	0	113.1	L390 Q394 R409 Y411 D412 V436 H461 A462 I464	L390-T396 HydrophobicContact CD1-CG2 4.21Å; Q394-T396 PolarHBondContact O-N 3.45Å; T396-R409 PolarHBondContact N-O 3.09Å; T396-R409 PolarHBondContact OG1-O 3.46Å; T396-Y411 PolarHBondContact OG1-N 3.49Å; T396-D412 WeakPolarHBondContact CB-OD2 3.27Å; T396-D412 HydrophobicContact CG2-CB 3.98Å; T396-D412 PolarHBondContact OG1-N 3Å; T396-D412 VanDerWaalsContact OG1-N 3.09Å; T396-D412 PolarHBondContact OG1-OD2 2.93Å; T396-V436 HydrophobicContact CG2-CG1 4.49Å; T396-V436 HydrophobicContact CG2-CG2 4.05Å; T396-H461 CarbonylContact O-C 3.57Å; T396-A462 WeakPolarHBondContact O-CB 3.39Å; T396-A462 PolarHBondContact O-N 3.33Å; T396-I464 HydrophobicContact CG2-CG2 4.01Å
397	T	88.2	Confident	70.2	Confident	10 Å²	10	76.1 Å²	76.1	6%	0.061	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-94.2	145.3	171.5	66	0	0	0	0	111.8	Q395 R409 Y411 D460	Q395-T397 WeakPolarHBondContact CG-O 3.04Å; Q395-T397 PolarHBondContact NE2-O 2.96Å; T397-R409 HydrophobicContact CG2-CB 3.66Å; T397-R409 PolarHBondContact N-O 3.09Å; T397-Y411 HydrophobicContact CG2-CD2 3.69Å; T397-Y411 HydrophobicContact CG2-CE2 3.99Å; T397-D460 CarbonylContact C-O 3.54Å; T397-D460 VanDerWaalsContact CA-O 3.23Å; T397-D460 WeakPolarHBondContact CA-O 3.13Å
398	T	80	Confident	68.7	Low	16 Å²	16	78.2 Å²	78.2	10%	0.098	42%	0.42	C	S	.	.	S	Bend	trans	-85	-10.1	-178.2	58.1	0	0	0	0	114.2	H400 L441 L457 S459 D460 A462	T398-H400 PolarHBondContact O-N 2.86Å; T398-L441 HydrophobicContact CG2-CD1 3.72Å; T398-L457 HydrophobicContact CG2-CD2 4.29Å; T398-L457 WeakPolarHBondContact OG1-CD1 3.37Å; T398-S459 PolarHBondContact OG1-O 3.47Å; T398-S459 VanDerWaalsContact OG1-O 3.05Å; T398-D460 PolarHBondContact N-O 3.32Å; T398-D460 VanDerWaalsContact OG1-CA 3.23Å; T398-D460 WeakPolarHBondContact OG1-CA 3.5Å; T398-D460 PolarHBondContact OG1-O 3.19Å; T398-A462 HydrophobicContact CG2-CB 4.16Å
399	N	68.8	Low	67.9	Low	74 Å²	74	82.1 Å²	82.1	40%	0.396	43%	0.431	S	S	.	.			trans	-78.3	119.8	177.6	-74.4	-36.8	0	0	0	111.4	Q395 C401	Q395-N399 PolarHBondContact NE2-O 2.92Å; N399-C401 PolarHBondContact O-N 3.43Å
400	H	54.8	Low	67.6	Low	156 Å²	156	82.3 Å²	82.3	72%	0.722	43%	0.433	S	S	*	.			trans	-73.1	115.5	162.5	-64.6	-69.7	0	0	0	108.6	T398 K402	T398-H400 PolarHBondContact O-N 2.86Å; H400-K402 PolarHBondContact O-N 3.48Å
401	C	41.2	Very low	67.6	Low	63 Å²	63	84.3 Å²	84.3	43%	0.426	44%	0.441	S	S	.	.			trans	-57.7	107	169.6	-99	0	0	0	0	108.8	N399 S403	N399-C401 PolarHBondContact O-N 3.43Å; C401-S403 PolarHBondContact O-N 3.02Å
402	K	40.4	Very low	68.2	Low	211 Å²	211	76.2 Å²	76.2	92%	0.917	41%	0.406	S	S	*	.	S	Bend	trans	-67	-14.2	173.6	-71.8	-174.8	176.7	-179.4	0	113	H400	H400-K402 PolarHBondContact O-N 3.48Å
403	S	39.3	Very low	69.3	Low	88 Å²	88	76.1 Å²	76.1	62%	0.615	40%	0.403	S	S	*	.	S	Bend	trans	-93	123	171.6	-170.9	0	0	0	0	107.6	C401 S405	C401-S403 PolarHBondContact O-N 3.02Å; S403-S405 PolarHBondContact O-N 3.28Å
404	G	37.4	Very low	70.4	Confident	82 Å²	82	68.7 Å²	68.7	85%	0.845	37%	0.368	S	S	*	.	S	Bend	trans	-60	21.6	-172.1	0	0	0	0	0	117.5	N406	G404-N406 PolarHBondContact O-N 3.09Å
405	S	45.8	Very low	71	Confident	52 Å²	52	65.4 Å²	65.4	36%	0.364	35%	0.353	S	S	.	.			trans	-77.5	105.2	162.6	63.3	0	0	0	0	109.2	S403 H407	S403-S405 PolarHBondContact O-N 3.28Å; S405-H407 PolarHBondContact O-N 2.92Å
406	N	45.6	Very low	71.4	Confident	154 Å²	154	63.5 Å²	63.5	82%	0.824	34%	0.344	S	S	*	.			trans	-65.5	35.2	175.6	-86.3	-9.9	0	0	0	114.3	G404 L408	G404-N406 PolarHBondContact O-N 3.09Å; N406-L408 PolarHBondContact O-N 3.48Å
407	H	56.8	Low	71.5	Confident	146 Å²	146	63.5 Å²	63.5	68%	0.676	34%	0.344	S	S	*	.			trans	-75.5	85.3	173.3	-63.1	-52.4	0	0	0	108.7	S405 R409	S405-H407 PolarHBondContact O-N 2.92Å; H407-R409 PolarHBondContact O-N 2.95Å; H407-R409 VanDerWaalsContact O-N 3.16Å
408	L	63.1	Low	71.6	Confident	100 Å²	100	65 Å²	65	52%	0.524	36%	0.357	S	S	.	.			trans	-54	116.9	166.6	-68	162.1	0	0	0	107.4	E393 Q395 N406 A410	E393-L408 WeakPolarHBondContact O-CD1 3.19Å; Q395-L408 HydrophobicContact CB-CD2 3.88Å; N406-L408 PolarHBondContact O-N 3.48Å; L408-A410 PolarHBondContact O-N 3.48Å
409	R	79	Confident	72	Confident	113 Å²	113	67.8 Å²	67.8	43%	0.426	37%	0.371	S	S	.	.			trans	-90.5	92.5	-179.5	-65.7	-178.3	-176.5	-168.3	1.7	108.3	T396 T397 H407 Y411	T396-R409 PolarHBondContact N-O 3.09Å; T396-R409 PolarHBondContact OG1-O 3.46Å; T397-R409 HydrophobicContact CG2-CB 3.66Å; T397-R409 PolarHBondContact N-O 3.09Å; H407-R409 PolarHBondContact O-N 2.95Å; H407-R409 VanDerWaalsContact O-N 3.16Å; R409-Y411 HydrophobicContact CB-CD2 4.15Å; R409-Y411 HydrophobicContact CB-CE1 4.13Å; R409-Y411 HydrophobicContact CB-CE2 3.7Å; R409-Y411 WeakPolarHBondContact CD-OH 3.33Å; R409-Y411 HydrophobicContact CG-CE1 4.38Å; R409-Y411 HydrophobicContact CG-CE2 4Å; R409-Y411 WeakPolarHBondContact CG-OH 3.09Å
410	A	87.4	Confident	73.2	Confident	9 Å²	9	64.2 Å²	64.2	7%	0.074	35%	0.353	C	S	.	.			trans	-96.4	84.7	173.3	0	0	0	0	0	108.2	L371 S372 G392 Q394 L408	L371-A410 CarbonylContact C-O 3.6Å; S372-A410 WeakPolarHBondContact CA-O 2.96Å; S372-A410 PolarHBondContact N-O 2.83Å; G392-A410 WeakPolarHBondContact O-CB 3.4Å; Q394-A410 WeakPolarHBondContact O-CA 3.31Å; Q394-A410 WeakPolarHBondContact O-CB 3.26Å; L408-A410 PolarHBondContact O-N 3.48Å
411	Y	93.5	Very high	74.7	Confident	46 Å²	46	57.8 Å²	57.8	18%	0.18	33%	0.325	C	S	.	.			trans	-100.3	-27.7	-175.8	-62.9	-31.4	0	0	0	113	D368 F369 N370 T396 T397 R409	D368-Y411 WeakPolarHBondContact OD1-CB 3.22Å; F369-Y411 WeakPolarHBondContact CA-O 3.41Å; F369-Y411 PolarHBondContact N-O 3.39Å; N370-Y411 PolarHBondContact N-O 3.48Å; T396-Y411 PolarHBondContact OG1-N 3.49Å; T397-Y411 HydrophobicContact CG2-CD2 3.69Å; T397-Y411 HydrophobicContact CG2-CE2 3.99Å; R409-Y411 HydrophobicContact CB-CD2 4.15Å; R409-Y411 HydrophobicContact CB-CE1 4.13Å; R409-Y411 HydrophobicContact CB-CE2 3.7Å; R409-Y411 WeakPolarHBondContact CD-OH 3.33Å; R409-Y411 HydrophobicContact CG-CE1 4.38Å; R409-Y411 HydrophobicContact CG-CE2 4Å; R409-Y411 WeakPolarHBondContact CG-OH 3.09Å
412	D	96.3	Very high	76.7	Confident	2 Å²	2	59.1 Å²	59.1	1%	0.011	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	134.3	-176	-51.3	-101.2	0	0	0	109.8	G367 T396 H461 I464	G367-D412 VanDerWaalsContact O-CA 3.31Å; G367-D412 WeakPolarHBondContact O-CA 3.25Å; T396-D412 WeakPolarHBondContact CB-OD2 3.27Å; T396-D412 HydrophobicContact CG2-CB 3.98Å; T396-D412 PolarHBondContact OG1-N 3Å; T396-D412 VanDerWaalsContact OG1-N 3.09Å; T396-D412 PolarHBondContact OG1-OD2 2.93Å; D412-H461 IonicContact OD1-ND1 3.93Å; D412-H461 PolarHBondContact OD1-ND1 3.1Å; D412-H461 IonicContact OD2-CE1 3.23Å; D412-H461 IonicContact OD2-CG 3.67Å; D412-H461 IonicContact OD2-ND1 3.05Å; D412-H461 PolarHBondContact OD2-ND1 3.36Å; D412-I464 HydrophobicContact CB-CG2 3.76Å
413	N	96.9	Very high	78.7	Confident	9 Å²	9	55.1 Å²	55.1	5%	0.048	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	174.8	174.6	-143.6	-46	0	0	0	111.5	A366 G367 F369 S373 V389 L390 I464	A366-N413 WeakPolarHBondContact CA-O 3.19Å; G367-N413 PolarHBondContact N-O 2.9Å; G367-N413 VanDerWaalsContact N-O 3.07Å; G367-N413 PolarHBondContact O-N 3.13Å; G367-N413 VanDerWaalsContact O-N 3.09Å; F369-N413 HydrophobicContact CD2-CB 4.26Å; F369-N413 HydrophobicContact CE2-CB 4.4Å; F369-N413 WeakPolarHBondContact CE2-O 3.33Å; S373-N413 VanDerWaalsContact CB-ND2 3.33Å; S373-N413 WeakPolarHBondContact CB-ND2 3.39Å; S373-N413 PolarHBondContact OG-ND2 2.78Å; V389-N413 PolarHBondContact N-OD1 3.32Å; L390-N413 PolarHBondContact N-OD1 3.02Å; L390-N413 PolarHBondContact O-ND2 2.94Å; N413-I464 WeakPolarHBondContact O-CD1 3.13Å
414	A	97.7	Very high	80.8	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139.1	165.2	0	0	0	0	0	108.7	I365 A366 P388 V389 I464 F466	I365-A414 CarbonylContact O-C 3.56Å; I365-A414 WeakPolarHBondContact O-CA 3.3Å; A366-A414 HydrophobicContact CB-CB 3.71Å; P388-A414 CarbonylContact C-O 3.54Å; P388-A414 WeakPolarHBondContact CA-O 3.2Å; V389-A414 HydrophobicContact CB-CB 4.19Å; V389-A414 WeakPolarHBondContact CB-O 3.44Å; V389-A414 HydrophobicContact CG2-CB 3.87Å; V389-A414 WeakPolarHBondContact CG2-O 3.45Å; V389-A414 PolarHBondContact N-O 3.22Å; A414-I464 HydrophobicContact CB-CD1 4.4Å; A414-F466 HydrophobicContact CB-CD1 3.88Å; A414-F466 HydrophobicContact CB-CE1 3.44Å; A414-F466 VanDerWaalsContact CB-CE1 3.44Å; A414-F466 HydrophobicContact CB-CZ 4.15Å
415	W	97.5	Very high	83	Confident	1 Å²	1	57.8 Å²	57.8	0%	0.004	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.7	178.7	-65.9	75.7	0	0	0	109.1	I364 I365 F369 Y378 L381 H382 L386 W387 P388	I364-W415 CarbonylContact C-O 3.58Å; I364-W415 WeakPolarHBondContact CA-O 3.46Å; I365-W415 HydrophobicContact CB-CB 4.4Å; I365-W415 PolarHBondContact N-O 3.15Å; I365-W415 PolarHBondContact O-N 2.9Å; F369-W415 AromaticContact CE1-CD1 3.65Å; F369-W415 AromaticContact CE1-NE1 3.69Å; F369-W415 AromaticContact CE2-CD1 3.7Å; F369-W415 AromaticContact CE2-NE1 3.94Å; F369-W415 AromaticContact CZ-CD1 3.22Å; F369-W415 HydrophobicContact CZ-CG 4.32Å; F369-W415 AromaticContact CZ-NE1 3.63Å; Y378-W415 VanDerWaalsContact CB-CH2 3.46Å; Y378-W415 HydrophobicContact CD1-CH2 4.1Å; Y378-W415 AromaticContact CD1-CZ2 3.54Å; Y378-W415 HydrophobicContact CD1-CZ2 3.54Å; Y378-W415 HydrophobicContact CD2-CZ2 4.16Å; Y378-W415 HydrophobicContact CE1-CZ2 4.19Å; Y378-W415 AromaticContact CG-CH2 3.81Å; Y378-W415 HydrophobicContact CG-CH2 3.81Å; Y378-W415 AromaticContact CG-CZ2 3.55Å; Y378-W415 HydrophobicContact CG-CZ2 3.55Å; L381-W415 HydrophobicContact CB-CD2 4.45Å; L381-W415 HydrophobicContact CB-CE3 3.81Å; L381-W415 HydrophobicContact CB-CZ3 3.88Å; L381-W415 HydrophobicContact CD1-CD2 3.55Å; L381-W415 HydrophobicContact CD1-CE3 3.79Å; L381-W415 HydrophobicContact CD1-CG 3.94Å; L381-W415 HydrophobicContact CD1-CH2 4.44Å; L381-W415 HydrophobicContact CD1-CZ2 4.2Å; L381-W415 HydrophobicContact CD1-CZ3 4.22Å; L381-W415 HydrophobicContact CG-CE3 4.48Å; H382-W415 AromaticContact CE1-CZ3 3.87Å; H382-W415 AromaticContact NE2-CH2 3.9Å; H382-W415 AromaticContact NE2-CZ3 3.76Å; L386-W415 HydrophobicContact CB-CB 4.33Å; L386-W415 HydrophobicContact CB-CE3 4.16Å; L386-W415 HydrophobicContact CD2-CB 3.9Å; W387-W415 CarbonylContact O-C 3.43Å; W387-W415 VanDerWaalsContact O-CA 3.23Å; W387-W415 WeakPolarHBondContact O-CA 3.34Å; P388-W415 HydrophobicContact CB-CD2 4.19Å; P388-W415 HydrophobicContact CB-CE3 4.3Å; P388-W415 HydrophobicContact CB-CH2 4.07Å; P388-W415 HydrophobicContact CB-CZ2 4Å; P388-W415 HydrophobicContact CB-CZ3 4.25Å; P388-W415 VanDerWaalsContact CD-CZ3 3.49Å; P388-W415 HydrophobicContact CG-CH2 4.05Å; P388-W415 HydrophobicContact CG-CZ2 4.44Å; P388-W415 HydrophobicContact CG-CZ3 4.17Å
416	L	97	Very high	84.8	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	142.1	-174.4	-42.1	179.6	0	0	0	110.1	I364 L386 W387 V389 L420 W430 F466	I364-L416 HydrophobicContact CB-CD2 4.28Å; I364-L416 HydrophobicContact CD1-CD2 4.24Å; I364-L416 HydrophobicContact CG1-CD2 3.84Å; I364-L416 HydrophobicContact CG2-CD2 3.9Å; L386-L416 VanDerWaalsContact CA-O 3.25Å; L386-L416 WeakPolarHBondContact CA-O 3.27Å; W387-L416 HydrophobicContact CZ2-CB 4.02Å; W387-L416 PolarHBondContact N-O 2.96Å; W387-L416 VanDerWaalsContact N-O 3.15Å; W387-L416 PolarHBondContact O-N 3.34Å; V389-L416 HydrophobicContact CG2-CD1 3.65Å; V389-L416 HydrophobicContact CG2-CD2 3.95Å; V389-L416 HydrophobicContact CG2-CG 3.66Å; L416-L420 HydrophobicContact CB-CB 4.07Å; L416-L420 HydrophobicContact CB-CD1 4.04Å; L416-L420 HydrophobicContact CD2-CD1 4.49Å; L416-W430 HydrophobicContact CD1-CB 3.74Å; L416-W430 HydrophobicContact CD1-CD2 4.3Å; L416-W430 HydrophobicContact CD1-CG 3.87Å; L416-F466 HydrophobicContact CD2-CD2 4.44Å; L416-F466 HydrophobicContact CD2-CE2 3.77Å; L416-F466 HydrophobicContact CD2-CZ 3.94Å
417	S	95.1	Very high	86.8	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.007	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	153.1	173.5	54	0	0	0	0	113.5	L363 W387 N419 L420	L363-S417 PolarHBondContact N-OG 3.04Å; L363-S417 VanDerWaalsContact N-OG 3.14Å; L363-S417 PolarHBondContact O-N 3.46Å; L363-S417 PolarHBondContact O-OG 2.79Å; W387-S417 WeakPolarHBondContact CH2-O 3.34Å; W387-S417 WeakPolarHBondContact CZ2-O 3.16Å; S417-N419 PolarHBondContact O-N 2.86Å; S417-L420 WeakPolarHBondContact O-CB 3.4Å; S417-L420 PolarHBondContact O-N 3.44Å
418	A	90.5	Very high	88.4	Confident	41 Å²	41	45.6 Å²	45.6	34%	0.339	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-29.7	-38.3	171	0	0	0	0	0	117.8	G385 W387 L420 S421	G385-A418 PolarHBondContact O-N 3.03Å; W387-A418 VanDerWaalsContact CH2-O 3.23Å; W387-A418 WeakPolarHBondContact CH2-O 3.1Å; W387-A418 HydrophobicContact CZ3-CB 4.35Å; A418-L420 VanDerWaalsContact C-N 3.32Å; A418-L420 PolarHBondContact O-N 2.83Å; A418-S421 PolarHBondContact O-OG 2.95Å
419	N	89	Confident	89.8	Confident	75 Å²	75	45.8 Å²	45.8	40%	0.401	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-89.3	0.7	-173.5	-51.1	-9.5	0	0	0	112.5	Y362 S417 S424 S426	Y362-N419 HydrophobicContact CD1-CB 3.72Å; Y362-N419 HydrophobicContact CE1-CB 3.56Å; Y362-N419 VanDerWaalsContact CE1-O 3.31Å; Y362-N419 WeakPolarHBondContact CE1-O 3.04Å; S417-N419 PolarHBondContact O-N 2.86Å; N419-S424 PolarHBondContact O-OG 2.95Å; N419-S426 WeakPolarHBondContact O-CB 3.2Å; N419-S426 PolarHBondContact O-OG 3.28Å
420	L	92.3	Very high	90.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-103.7	7	173.2	-70	174	0	0	0	112.3	Y362 I364 W387 L416 S417 A418 I428 W430	Y362-L420 HydrophobicContact CD1-CD2 3.68Å; Y362-L420 HydrophobicContact CD1-CG 3.83Å; Y362-L420 HydrophobicContact CE1-CD2 4.44Å; Y362-L420 HydrophobicContact CG-CD2 3.91Å; Y362-L420 HydrophobicContact CG-CG 4.21Å; I364-L420 HydrophobicContact CD1-CD1 4.13Å; I364-L420 HydrophobicContact CG1-CD1 3.69Å; W387-L420 HydrophobicContact CZ2-CB 4.26Å; L416-L420 HydrophobicContact CB-CB 4.07Å; L416-L420 HydrophobicContact CB-CD1 4.04Å; L416-L420 HydrophobicContact CD2-CD1 4.49Å; S417-L420 WeakPolarHBondContact O-CB 3.4Å; S417-L420 PolarHBondContact O-N 3.44Å; A418-L420 VanDerWaalsContact C-N 3.32Å; A418-L420 PolarHBondContact O-N 2.83Å; L420-I428 HydrophobicContact CD2-CB 4.26Å; L420-I428 HydrophobicContact CD2-CD1 3.87Å; L420-I428 HydrophobicContact CD2-CG1 3.68Å; L420-I428 HydrophobicContact CD2-CG2 3.78Å; L420-W430 VanDerWaalsContact O-CB 3.27Å; L420-W430 WeakPolarHBondContact O-CB 3.46Å; L420-W430 PolarHBondContact O-N 3.33Å
421	S	87.2	Confident	90.7	Very high	21 Å²	21	43 Å²	43	15%	0.147	23%	0.229	C	C	.	.	S	Bend	trans	-64	157.1	-174.6	51.7	0	0	0	0	111.3	W387 A418 T423 S424	W387-S421 VanDerWaalsContact CH2-CA 3.5Å; W387-S421 VanDerWaalsContact CH2-N 3.34Å; A418-S421 PolarHBondContact O-OG 2.95Å; S421-T423 PolarHBondContact O-N 3.34Å; S421-T423 VanDerWaalsContact O-N 3.13Å; S421-T423 PolarHBondContact OG-OG1 3.38Å; S421-S424 VanDerWaalsContact O-CB 3.26Å; S421-S424 WeakPolarHBondContact O-CB 3.3Å; S421-S424 PolarHBondContact O-N 2.85Å; S421-S424 PolarHBondContact OG-N 3.17Å
422	L	83.2	Confident	90.6	Very high	91 Å²	91	42.1 Å²	42.1	48%	0.476	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-33.6	169.3	-84.2	160.1	0	0	0	112.9	W430 T431	L422-W430 HydrophobicContact CD1-CE3 3.98Å; L422-W430 HydrophobicContact CD1-CZ3 3.78Å; L422-W430 WeakPolarHBondContact CD2-O 3.27Å; L422-W430 HydrophobicContact CG-CE3 3.92Å; L422-W430 HydrophobicContact CG-CZ3 4.26Å; L422-T431 VanDerWaalsContact CD2-C 3.41Å; L422-T431 WeakPolarHBondContact CD2-O 3.44Å
423	T	82.4	Confident	90.4	Very high	127 Å²	127	46.4 Å²	46.4	78%	0.779	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	3.1	-177.6	55.4	0	0	0	0	113.5	S421	S421-T423 PolarHBondContact O-N 3.34Å; S421-T423 VanDerWaalsContact O-N 3.13Å; S421-T423 PolarHBondContact OG-OG1 3.38Å
424	S	83	Confident	90.2	Very high	24 Å²	24	47.5 Å²	47.5	17%	0.168	27%	0.266	C	S	.	.			trans	-72.9	139.2	179.9	-169.3	0	0	0	0	110.9	N419 S421 S426	N419-S424 PolarHBondContact O-OG 2.95Å; S421-S424 VanDerWaalsContact O-CB 3.26Å; S421-S424 WeakPolarHBondContact O-CB 3.3Å; S421-S424 PolarHBondContact O-N 2.85Å; S421-S424 PolarHBondContact OG-N 3.17Å; S424-S426 VanDerWaalsContact CB-OG 3.29Å; S424-S426 WeakPolarHBondContact CB-OG 3.3Å; S424-S426 PolarHBondContact O-N 3.22Å; S424-S426 WeakPolarHBondContact OG-CB 3.45Å; S424-S426 PolarHBondContact OG-N 3.28Å; S424-S426 PolarHBondContact OG-OG 2.8Å
425	E	83.2	Confident	90	Very high	202 Å²	202	47.9 Å²	47.9	94%	0.944	27%	0.27	S	S	*	.			trans	-86.9	10.1	172.2	-61.6	-175.5	170.5	0	0	112.5
426	S	85.1	Confident	89.9	Confident	21 Å²	21	49.2 Å²	49.2	15%	0.147	28%	0.278	C	S	.	.	S	Bend	trans	-65.8	157.4	176.5	46.5	0	0	0	0	112.6	Y362 N419 S424 I428	Y362-S426 VanDerWaalsContact OH-CB 3.26Å; Y362-S426 WeakPolarHBondContact OH-CB 3.45Å; N419-S426 WeakPolarHBondContact O-CB 3.2Å; N419-S426 PolarHBondContact O-OG 3.28Å; S424-S426 VanDerWaalsContact CB-OG 3.29Å; S424-S426 WeakPolarHBondContact CB-OG 3.3Å; S424-S426 PolarHBondContact O-N 3.22Å; S424-S426 WeakPolarHBondContact OG-CB 3.45Å; S424-S426 PolarHBondContact OG-N 3.28Å; S424-S426 PolarHBondContact OG-OG 2.8Å; S426-I428 WeakPolarHBondContact CB-O 3.49Å; S426-I428 PolarHBondContact O-N 3.01Å; S426-I428 VanDerWaalsContact O-N 3.08Å; S426-I428 PolarHBondContact OG-O 3.18Å
427	T	86.2	Confident	89.6	Confident	74 Å²	74	49.7 Å²	49.7	45%	0.454	28%	0.28	S	S	.	.	S	Bend	trans	-67	-8.3	174.5	54.4	0	0	0	0	114.1	L470 T471	T427-L470 WeakPolarHBondContact O-CA 3.14Å; T427-T471 VanDerWaalsContact CA-OG1 3.24Å; T427-T471 WeakPolarHBondContact CA-OG1 3.38Å; T427-T471 PolarHBondContact O-N 3.15Å; T427-T471 PolarHBondContact O-OG1 2.81Å
428	I	91.3	Very high	89.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.4	176.3	-179.4	173.9	0	0	0	108.8	V317 L319 Y362 L420 S426 I468 H469 L470	V317-I428 HydrophobicContact CG1-CB 4.04Å; V317-I428 HydrophobicContact CG1-CD1 3.84Å; V317-I428 HydrophobicContact CG1-CG2 3.67Å; V317-I428 HydrophobicContact CG2-CB 4.36Å; L319-I428 HydrophobicContact CD1-CD1 3.99Å; L319-I428 HydrophobicContact CD2-CD1 3.74Å; L319-I428 HydrophobicContact CG-CD1 4.2Å; Y362-I428 HydrophobicContact CD1-CG2 3.8Å; Y362-I428 HydrophobicContact CD2-CG2 3.48Å; Y362-I428 VanDerWaalsContact CD2-CG2 3.48Å; Y362-I428 HydrophobicContact CE1-CG2 3.53Å; Y362-I428 HydrophobicContact CE2-CG2 3.23Å; Y362-I428 HydrophobicContact CG-CG2 3.78Å; L420-I428 HydrophobicContact CD2-CB 4.26Å; L420-I428 HydrophobicContact CD2-CD1 3.87Å; L420-I428 HydrophobicContact CD2-CG1 3.68Å; L420-I428 HydrophobicContact CD2-CG2 3.78Å; S426-I428 WeakPolarHBondContact CB-O 3.49Å; S426-I428 PolarHBondContact O-N 3.01Å; S426-I428 VanDerWaalsContact O-N 3.08Å; S426-I428 PolarHBondContact OG-O 3.18Å; I428-I468 HydrophobicContact CD1-CD1 3.6Å; I428-I468 HydrophobicContact CG1-CB 4.35Å; I428-I468 HydrophobicContact CG1-CD1 4.29Å; I428-H469 VanDerWaalsContact CA-O 3.32Å; I428-H469 WeakPolarHBondContact CA-O 3.47Å; I428-L470 HydrophobicContact CB-CD2 3.95Å; I428-L470 HydrophobicContact CD1-CD2 3.91Å; I428-L470 HydrophobicContact CG1-CD2 3.86Å
429	R	92.7	Very high	89	Confident	104 Å²	104	58.8 Å²	58.8	39%	0.392	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	149.3	178.5	61.6	-176.2	-178.6	175.1	-0.4	111.3	I468 H469	R429-I468 CarbonylContact O-C 3.56Å; R429-I468 WeakPolarHBondContact O-CA 3.23Å; R429-H469 HydrophobicContact CG-CB 4.28Å; R429-H469 PolarHBondContact N-O 3.3Å; R429-H469 PolarHBondContact O-N 3.37Å
430	W	93.6	Very high	88.8	Confident	31 Å²	31	55.6 Å²	55.6	12%	0.117	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	135.2	166.1	176.9	47.3	0	0	0	109.5	V389 L416 L420 L422 G432 D433	V389-W430 HydrophobicContact CG1-CZ2 4.31Å; L416-W430 HydrophobicContact CD1-CB 3.74Å; L416-W430 HydrophobicContact CD1-CD2 4.3Å; L416-W430 HydrophobicContact CD1-CG 3.87Å; L420-W430 VanDerWaalsContact O-CB 3.27Å; L420-W430 WeakPolarHBondContact O-CB 3.46Å; L420-W430 PolarHBondContact O-N 3.33Å; L422-W430 HydrophobicContact CD1-CE3 3.98Å; L422-W430 HydrophobicContact CD1-CZ3 3.78Å; L422-W430 WeakPolarHBondContact CD2-O 3.27Å; L422-W430 HydrophobicContact CG-CE3 3.92Å; L422-W430 HydrophobicContact CG-CZ3 4.26Å; W430-G432 VanDerWaalsContact C-N 3.28Å; W430-G432 VanDerWaalsContact CZ2-O 3.28Å; W430-G432 WeakPolarHBondContact CZ2-O 3.41Å; W430-G432 PolarHBondContact O-N 2.89Å; W430-D433 PolarHBondContact NE1-O 2.92Å
431	T	91.2	Very high	88.6	Confident	33 Å²	33	55.8 Å²	55.8	20%	0.202	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	-17.4	-179.1	56.1	0	0	0	0	113.5	H174 L422 D433 D467 H469	H174-T431 VanDerWaalsContact CE1-CG2 3.48Å; H174-T431 WeakPolarHBondContact CE1-CG2 3.01Å; H174-T431 VanDerWaalsContact ND1-CG2 3.3Å; H174-T431 WeakPolarHBondContact ND1-CG2 3.43Å; L422-T431 VanDerWaalsContact CD2-C 3.41Å; L422-T431 WeakPolarHBondContact CD2-O 3.44Å; T431-D433 VanDerWaalsContact C-N 3.28Å; T431-D433 WeakPolarHBondContact OG1-CB 3.43Å; T431-D433 PolarHBondContact OG1-N 3.39Å; T431-D467 WeakPolarHBondContact CB-O 3.32Å; T431-D467 HydrophobicContact CG2-CB 4Å; T431-D467 WeakPolarHBondContact CG2-O 3.42Å; T431-D467 PolarHBondContact N-O 2.68Å; T431-D467 WeakPolarHBondContact OG1-CB 3.41Å; T431-D467 PolarHBondContact OG1-O 2.86Å; T431-H469 HydrophobicContact CG2-CB 3.85Å
432	G	91	Very high	88.4	Confident	28 Å²	28	59.1 Å²	59.1	29%	0.289	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	92.6	-16.8	-166.2	0	0	0	0	0	113	W430	W430-G432 VanDerWaalsContact C-N 3.28Å; W430-G432 VanDerWaalsContact CZ2-O 3.28Å; W430-G432 WeakPolarHBondContact CZ2-O 3.41Å; W430-G432 PolarHBondContact O-N 2.89Å
433	D	91.8	Very high	88.1	Confident	91 Å²	91	55 Å²	55	49%	0.487	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	129.8	178.5	-68.5	-38.6	0	0	0	110.6	W430 T431 W465 F466 D467	W430-D433 PolarHBondContact NE1-O 2.92Å; T431-D433 VanDerWaalsContact C-N 3.28Å; T431-D433 WeakPolarHBondContact OG1-CB 3.43Å; T431-D433 PolarHBondContact OG1-N 3.39Å; D433-W465 HydrophobicContact CB-CH2 4.08Å; D433-W465 HydrophobicContact CB-CZ3 3.87Å; D433-F466 VanDerWaalsContact O-CA 3.28Å; D433-F466 WeakPolarHBondContact O-CA 3.45Å; D433-F466 WeakPolarHBondContact O-CB 3.41Å; D433-D467 HydrophobicContact CB-CB 4.29Å; D433-D467 PolarHBondContact O-N 3.4Å; D433-D467 VanDerWaalsContact O-N 3.09Å
434	S	93.9	Very high	87.5	Confident	33 Å²	33	51.5 Å²	51.5	23%	0.231	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	164.4	177	60.6	0	0	0	0	111.3	W465	S434-W465 CarbonylContact C-O 3.52Å; S434-W465 WeakPolarHBondContact CA-O 3.16Å; S434-W465 VanDerWaalsContact CB-O 3.28Å; S434-W465 WeakPolarHBondContact CB-O 3.49Å
435	G	93.4	Very high	87	Confident	8 Å²	8	51.4 Å²	51.4	8%	0.082	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.9	-174.6	173.6	0	0	0	0	0	114.6	I464 W465	G435-I464 CarbonylContact O-C 3.52Å; G435-I464 WeakPolarHBondContact O-CA 3.35Å; G435-W465 PolarHBondContact N-O 3.4Å; G435-W465 VanDerWaalsContact O-CD1 3.29Å; G435-W465 PolarHBondContact O-N 3.2Å
436	V	94.1	Very high	86.5	Confident	28 Å²	28	42 Å²	42	17%	0.17	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.6	177.6	-170.9	0	0	0	0	108.9	L390 Q394 T396 L438 A462 I464	L390-V436 HydrophobicContact CD1-CG2 3.75Å; Q394-V436 HydrophobicContact CB-CG2 4.09Å; T396-V436 HydrophobicContact CG2-CG1 4.49Å; T396-V436 HydrophobicContact CG2-CG2 4.05Å; V436-L438 HydrophobicContact CG1-CD2 3.94Å; V436-L438 HydrophobicContact CG1-CG 4.08Å; V436-L438 PolarHBondContact O-N 3.04Å; V436-A462 HydrophobicContact CG1-CB 3.63Å; V436-I464 HydrophobicContact CG2-CG2 4.32Å
437	I	91.6	Very high	85.6	Confident	10 Å²	10	42 Å²	42	5%	0.051	22%	0.222	C	C	.	.			trans	-93.3	97.8	-179.1	-60.3	149.2	0	0	0	108.7	T202 M206 L441 A462 P463	T202-I437 HydrophobicContact CG2-CD1 4.25Å; T202-I437 HydrophobicContact CG2-CG2 4.16Å; M206-I437 HydrophobicContact CB-CD1 4.07Å; M206-I437 HydrophobicContact CE-CD1 4.26Å; M206-I437 HydrophobicContact CE-CG1 3.86Å; M206-I437 HydrophobicContact CG-CD1 3.58Å; M206-I437 HydrophobicContact CG-CG1 3.83Å; M206-I437 HydrophobicContact CG-CG2 4.28Å; M206-I437 HydrophobicContact SD-CD1 4.45Å; M206-I437 HydrophobicContact SD-CG1 4.07Å; I437-L441 HydrophobicContact CG2-CD2 4.42Å; I437-L441 VanDerWaalsContact O-CD1 3.3Å; I437-L441 WeakPolarHBondContact O-CD1 3.47Å; I437-A462 WeakPolarHBondContact O-CB 3.16Å; I437-P463 HydrophobicContact CB-CG 3.95Å; I437-P463 HydrophobicContact CD1-CB 4Å; I437-P463 HydrophobicContact CD1-CG 3.93Å; I437-P463 HydrophobicContact CG2-CG 4.44Å; I437-P463 PolarHBondContact N-O 3.37Å
438	L	88.4	Confident	84.3	Confident	96 Å²	96	42.4 Å²	42.4	50%	0.503	22%	0.219	S	C	.	.			trans	-98.5	-4.9	-177.4	-65	172.1	0	0	0	114.2	V436 A462	V436-L438 HydrophobicContact CG1-CD2 3.94Å; V436-L438 HydrophobicContact CG1-CG 4.08Å; V436-L438 PolarHBondContact O-N 3.04Å; L438-A462 HydrophobicContact CD2-CB 3.66Å
439	K	84.9	Confident	82.3	Confident	138 Å²	138	46.3 Å²	46.3	60%	0.6	24%	0.237	S	C	*	.	S	Bend	trans	-111.6	155.7	-177.1	-63.1	-175.7	179.4	-176.6	0	110.6	P163 L441	P163-K439 HydrophobicContact CB-CB 4.37Å; K439-L441 PolarHBondContact O-N 2.97Å
440	G	83.8	Confident	79.9	Confident	8 Å²	8	43.6 Å²	43.6	8%	0.082	23%	0.232	C	C	.	.	S	Bend	trans	73.7	8.6	178.2	0	0	0	0	0	115.4	E160 R442	E160-G440 WeakPolarHBondContact O-CA 3.43Å; E160-G440 PolarHBondContact O-N 3.42Å; G440-R442 VanDerWaalsContact C-N 3.33Å
441	L	88.2	Confident	77.4	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.021	26%	0.263	C	S	.	.			trans	-87.7	0.5	-176.7	-58.1	-172.5	0	0	0	114.2	W180 T202 T398 I437 K439 L457 V458 A462 P463	W180-L441 HydrophobicContact CH2-CD2 4.15Å; W180-L441 HydrophobicContact CZ2-CD2 3.92Å; T202-L441 HydrophobicContact CG2-CD2 4.41Å; T398-L441 HydrophobicContact CG2-CD1 3.72Å; I437-L441 HydrophobicContact CG2-CD2 4.42Å; I437-L441 VanDerWaalsContact O-CD1 3.3Å; I437-L441 WeakPolarHBondContact O-CD1 3.47Å; K439-L441 PolarHBondContact O-N 2.97Å; L441-L457 HydrophobicContact CB-CD2 3.9Å; L441-L457 WeakPolarHBondContact O-CA 3.25Å; L441-V458 PolarHBondContact O-N 3.32Å; L441-V458 VanDerWaalsContact O-N 3.15Å; L441-A462 HydrophobicContact CD1-CB 3.95Å; L441-P463 HydrophobicContact CD2-CG 4.22Å
442	R	82.6	Confident	75	Confident	91 Å²	91	46.1 Å²	46.1	34%	0.343	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-108.7	145.9	-176.6	-69.1	174.9	173.5	-88.9	-15.4	110.5	L161 G440 N455 G456 L457	L161-R442 WeakPolarHBondContact CD2-O 3.14Å; G440-R442 VanDerWaalsContact C-N 3.33Å; R442-N455 PolarHBondContact NH1-O 3.48Å; R442-G456 CarbonylContact C-O 3.57Å; R442-G456 VanDerWaalsContact CA-O 3.23Å; R442-G456 WeakPolarHBondContact CA-O 3.39Å; R442-L457 HydrophobicContact CG-CD2 3.46Å; R442-L457 VanDerWaalsContact CG-CD2 3.46Å; R442-L457 HydrophobicContact CG-CG 3.93Å
443	H	77.9	Confident	73	Confident	5 Å²	5	45 Å²	45	2%	0.023	26%	0.256	C	S	.	.			trans	-136.9	135.9	171.3	-159.6	-89.8	0	0	0	111.1	Y50 G194 E197 V198 L445 I446 G456	Y50-H443 PolarHBondContact OH-NE2 3.1Å; G194-H443 VanDerWaalsContact CA-CG 3.46Å; G194-H443 VanDerWaalsContact CA-ND1 3.31Å; G194-H443 WeakPolarHBondContact CA-ND1 3.35Å; E197-H443 IonicContact OE2-CD2 3.93Å; E197-H443 IonicContact OE2-CE1 3.48Å; E197-H443 IonicContact OE2-NE2 2.85Å; E197-H443 PolarHBondContact OE2-NE2 2.69Å; V198-H443 HydrophobicContact CG2-CB 3.7Å; H443-L445 VanDerWaalsContact CE1-CG 3.5Å; H443-L445 WeakPolarHBondContact CE1-CG 3.43Å; H443-L445 VanDerWaalsContact ND1-CB 3.34Å; H443-L445 WeakPolarHBondContact ND1-CB 3.39Å; H443-L445 PolarHBondContact ND1-N 2.95Å; H443-L445 VanDerWaalsContact ND1-N 3.1Å; H443-L445 PolarHBondContact O-N 2.97Å; H443-L445 VanDerWaalsContact O-N 3.13Å; H443-I446 HydrophobicContact CB-CB 4.41Å; H443-I446 HydrophobicContact CB-CD1 3.63Å; H443-I446 HydrophobicContact CB-CG1 3.83Å; H443-I446 PolarHBondContact O-N 3.05Å; H443-G456 PolarHBondContact N-O 3.3Å
444	P	69.4	Low	71	Confident	52 Å²	52	41.7 Å²	41.7	34%	0.338	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-26.2	178.3	-25.5	34.9	0	0	0	114.6	L157	L157-P444 HydrophobicContact CB-CG 3.9Å; L157-P444 HydrophobicContact CD2-CG 4.22Å; L157-P444 HydrophobicContact CG-CG 4.46Å
445	L	72.3	Confident	69.6	Low	22 Å²	22	44 Å²	44	12%	0.115	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-16.4	176.7	-58.3	178	0	0	0	113.6	Y50 H192 P193 H443 P447	Y50-L445 HydrophobicContact CD1-CD1 4.02Å; Y50-L445 HydrophobicContact CD2-CD1 3.72Å; Y50-L445 HydrophobicContact CD2-CD2 4.44Å; Y50-L445 HydrophobicContact CD2-CG 4.43Å; Y50-L445 HydrophobicContact CE1-CD1 4.07Å; Y50-L445 HydrophobicContact CE2-CD1 3.8Å; Y50-L445 HydrophobicContact CE2-CG 4.42Å; Y50-L445 HydrophobicContact CG-CD1 3.81Å; H192-L445 PolarHBondContact CE1-O 3.32Å; H192-L445 PolarHBondContact NE2-O 3.37Å; P193-L445 HydrophobicContact CB-CD1 4.45Å; P193-L445 HydrophobicContact CG-CD1 3.86Å; H443-L445 VanDerWaalsContact CE1-CG 3.5Å; H443-L445 WeakPolarHBondContact CE1-CG 3.43Å; H443-L445 VanDerWaalsContact ND1-CB 3.34Å; H443-L445 WeakPolarHBondContact ND1-CB 3.39Å; H443-L445 PolarHBondContact ND1-N 2.95Å; H443-L445 VanDerWaalsContact ND1-N 3.1Å; H443-L445 PolarHBondContact O-N 2.97Å; H443-L445 VanDerWaalsContact O-N 3.13Å; L445-P447 WeakPolarHBondContact O-CD 3.46Å
446	I	73.7	Confident	68.5	Low	4 Å²	4	43.9 Å²	43.9	2%	0.021	25%	0.25	C	S	.	.	S	Bend	trans	-78	122.2	178.9	-67.9	168.3	0	0	0	108	F195 V198 H443 E448 G456 V458	F195-I446 HydrophobicContact CD1-CD1 3.96Å; F195-I446 HydrophobicContact CD1-CG1 4.29Å; F195-I446 HydrophobicContact CD2-CD1 4.34Å; F195-I446 HydrophobicContact CD2-CG1 3.82Å; F195-I446 HydrophobicContact CE1-CD1 4.11Å; F195-I446 HydrophobicContact CE1-CG1 4.25Å; F195-I446 HydrophobicContact CE1-CG2 4.03Å; F195-I446 HydrophobicContact CE2-CB 4.35Å; F195-I446 HydrophobicContact CE2-CG1 3.81Å; F195-I446 HydrophobicContact CE2-CG2 3.94Å; F195-I446 HydrophobicContact CG-CD1 4.06Å; F195-I446 HydrophobicContact CG-CG1 4.06Å; F195-I446 HydrophobicContact CZ-CB 4.35Å; F195-I446 HydrophobicContact CZ-CD1 4.39Å; F195-I446 HydrophobicContact CZ-CG1 4.03Å; F195-I446 HydrophobicContact CZ-CG2 3.51Å; V198-I446 HydrophobicContact CG2-CD1 4.43Å; H443-I446 HydrophobicContact CB-CB 4.41Å; H443-I446 HydrophobicContact CB-CD1 3.63Å; H443-I446 HydrophobicContact CB-CG1 3.83Å; H443-I446 PolarHBondContact O-N 3.05Å; I446-E448 PolarHBondContact O-N 3.42Å; I446-G456 WeakPolarHBondContact O-CA 3.24Å; I446-V458 HydrophobicContact CD1-CB 4.36Å
447	P	65.3	Low	68	Low	21 Å²	21	42.9 Å²	42.9	14%	0.136	24%	0.244	C	C	.	.			trans	-63.2	135.5	-177.9	-21.4	32.4	0	0	0	112.2	F4 L445 E449 T450	F4-P447 HydrophobicContact CD2-CG 4.45Å; L445-P447 WeakPolarHBondContact O-CD 3.46Å; P447-E449 VanDerWaalsContact C-N 3.27Å; P447-E449 PolarHBondContact O-N 3.3Å; P447-T450 HydrophobicContact CB-CG2 3.9Å; P447-T450 HydrophobicContact CG-CG2 4.16Å
448	E	58.7	Low	67.8	Low	84 Å²	84	42.4 Å²	42.4	39%	0.393	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-28.4	179.6	-66.8	-166.2	162.8	0	0	113.6	I446 N455	I446-E448 PolarHBondContact O-N 3.42Å; E448-N455 PolarHBondContact O-N 2.61Å; E448-N455 VanDerWaalsContact O-N 3.08Å
449	E	49.5	Very low	67.9	Low	82 Å²	82	37.8 Å²	37.8	38%	0.383	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.5	9	-166.3	-63.1	-177	-154.1	0	0	114.8	R10 P447 G451	R10-E449 WeakPolarHBondContact CD-OE1 3.37Å; R10-E449 IonicContact CZ-OE1 3.97Å; R10-E449 IonicContact CZ-OE2 3.33Å; R10-E449 IonicContact NE-OE1 2.86Å; R10-E449 IonicContact NH1-OE1 3.01Å; R10-E449 PolarHBondContact NH1-OE1 3.38Å; R10-E449 IonicContact NH1-OE2 2.69Å; R10-E449 PolarHBondContact NH1-OE2 3.39Å; P447-E449 VanDerWaalsContact C-N 3.27Å; P447-E449 PolarHBondContact O-N 3.3Å; E449-G451 PolarHBondContact O-N 3.07Å
450	T	42.2	Very low	68	Low	47 Å²	47	33.6 Å²	33.6	29%	0.288	20%	0.201	S	C	.	.			trans	-73.9	117.1	169.7	56.8	0	0	0	0	107.5	P447 S452 G453	P447-T450 HydrophobicContact CB-CG2 3.9Å; P447-T450 HydrophobicContact CG-CG2 4.16Å; T450-S452 PolarHBondContact O-N 3.28Å; T450-G453 PolarHBondContact O-N 3.04Å
451	G	41.1	Very low	68.4	Low	75 Å²	75	33.8 Å²	33.8	77%	0.773	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	31.1	176.2	0	0	0	0	0	115.4	R184 E449	R184-G451 PolarHBondContact NH2-O 3.33Å; E449-G451 PolarHBondContact O-N 3.07Å
452	S	41.6	Very low	68.7	Low	42 Å²	42	33.6 Å²	33.6	29%	0.294	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136	8.7	-172	-46.5	0	0	0	0	113.3	R184 K189 T450	R184-S452 VanDerWaalsContact NH2-CA 3.35Å; K189-S452 PolarHBondContact NZ-O 3.17Å; T450-S452 PolarHBondContact O-N 3.28Å
453	G	47.8	Very low	69.3	Low	5 Å²	5	29.3 Å²	29.3	5%	0.052	18%	0.183	C	C	.	.	S	Bend	trans	162	118.4	-178.6	0	0	0	0	0	109.8	T450	T450-G453 PolarHBondContact O-N 3.04Å
454	A	51.5	Low	70.2	Confident	21 Å²	21	29.2 Å²	29.2	17%	0.174	18%	0.183	C	C	.	.	S	Bend	trans	-74.8	127.7	-159.6	0	0	0	0	0	113.8	G456 L457	A454-G456 VanDerWaalsContact C-N 3.32Å; A454-G456 PolarHBondContact O-N 3.09Å; A454-L457 HydrophobicContact CB-CD1 3.96Å; A454-L457 WeakPolarHBondContact O-CB 3.37Å; A454-L457 VanDerWaalsContact O-CD1 3.27Å; A454-L457 WeakPolarHBondContact O-CD1 3.35Å; A454-L457 VanDerWaalsContact O-CG 3.22Å; A454-L457 WeakPolarHBondContact O-CG 3.37Å; A454-L457 PolarHBondContact O-N 3.21Å
455	N	62.8	Low	71.5	Confident	81 Å²	81	28.5 Å²	28.5	43%	0.433	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	43.8	158.3	-58.3	-26.6	0	0	0	114.4	R442 E448	R442-N455 PolarHBondContact NH1-O 3.48Å; E448-N455 PolarHBondContact O-N 2.61Å; E448-N455 VanDerWaalsContact O-N 3.08Å
456	G	71.4	Confident	72.6	Confident	6 Å²	6	27.5 Å²	27.5	6%	0.062	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.5	2.9	-178.2	0	0	0	0	0	115.5	R442 H443 I446 A454	R442-G456 CarbonylContact C-O 3.57Å; R442-G456 VanDerWaalsContact CA-O 3.23Å; R442-G456 WeakPolarHBondContact CA-O 3.39Å; H443-G456 PolarHBondContact N-O 3.3Å; I446-G456 WeakPolarHBondContact O-CA 3.24Å; A454-G456 VanDerWaalsContact C-N 3.32Å; A454-G456 PolarHBondContact O-N 3.09Å
457	L	82.6	Confident	73.6	Confident	6 Å²	6	27.8 Å²	27.8	3%	0.031	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-84.6	144	176.4	-67.4	157.3	0	0	0	112.1	T398 L441 R442 A454 S459	T398-L457 HydrophobicContact CG2-CD2 4.29Å; T398-L457 WeakPolarHBondContact OG1-CD1 3.37Å; L441-L457 HydrophobicContact CB-CD2 3.9Å; L441-L457 WeakPolarHBondContact O-CA 3.25Å; R442-L457 HydrophobicContact CG-CD2 3.46Å; R442-L457 VanDerWaalsContact CG-CD2 3.46Å; R442-L457 HydrophobicContact CG-CG 3.93Å; A454-L457 HydrophobicContact CB-CD1 3.96Å; A454-L457 WeakPolarHBondContact O-CB 3.37Å; A454-L457 VanDerWaalsContact O-CD1 3.27Å; A454-L457 WeakPolarHBondContact O-CD1 3.35Å; A454-L457 VanDerWaalsContact O-CG 3.22Å; A454-L457 WeakPolarHBondContact O-CG 3.37Å; A454-L457 PolarHBondContact O-N 3.21Å; L457-S459 VanDerWaalsContact C-N 3.32Å; L457-S459 PolarHBondContact O-N 3.48Å
458	V	87.4	Confident	75	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-63.6	-36.5	172.2	67.1	0	0	0	0	112.7	W180 F185 K189 F195 V198 V199 L441 I446	W180-V458 HydrophobicContact CH2-CG1 3.72Å; W180-V458 HydrophobicContact CZ2-CG1 3.29Å; F185-V458 HydrophobicContact CE2-CG2 4.2Å; K189-V458 PolarHBondContact NZ-O 3.41Å; F195-V458 HydrophobicContact CD1-CB 4.26Å; F195-V458 HydrophobicContact CD1-CG2 3.72Å; F195-V458 HydrophobicContact CE1-CG2 4.44Å; V198-V458 HydrophobicContact CB-CB 4.41Å; V198-V458 HydrophobicContact CG1-CB 3.81Å; V198-V458 HydrophobicContact CG1-CG1 3.71Å; V198-V458 HydrophobicContact CG1-CG2 4.32Å; V199-V458 HydrophobicContact CG2-CG2 3.68Å; L441-V458 PolarHBondContact O-N 3.32Å; L441-V458 VanDerWaalsContact O-N 3.15Å; I446-V458 HydrophobicContact CD1-CB 4.36Å
459	S	90.5	Very high	76.5	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.15	C	C	.	.			trans	-152.2	156.1	-176.3	-179.1	0	0	0	0	111	N181 T398 L457 H461	N181-S459 WeakPolarHBondContact O-CB 3.37Å; N181-S459 PolarHBondContact O-OG 3.21Å; T398-S459 PolarHBondContact OG1-O 3.47Å; T398-S459 VanDerWaalsContact OG1-O 3.05Å; L457-S459 VanDerWaalsContact C-N 3.32Å; L457-S459 PolarHBondContact O-N 3.48Å; S459-H461 WeakPolarHBondContact CB-O 3.4Å; S459-H461 PolarHBondContact OG-N 3.44Å; S459-H461 PolarHBondContact OG-O 3.16Å
460	D	88	Confident	78.3	Confident	49 Å²	49	20.6 Å²	20.6	26%	0.262	13%	0.134	S	C	.	.	S	Bend	trans	-79.2	-4.7	167.6	58.6	-26.7	0	0	0	113.2	N183 T397 T398	N183-D460 WeakPolarHBondContact CB-OD1 3.4Å; N183-D460 VanDerWaalsContact ND2-CG 3.33Å; N183-D460 PolarHBondContact ND2-OD1 3.29Å; T397-D460 CarbonylContact C-O 3.54Å; T397-D460 VanDerWaalsContact CA-O 3.23Å; T397-D460 WeakPolarHBondContact CA-O 3.13Å; T398-D460 PolarHBondContact N-O 3.32Å; T398-D460 VanDerWaalsContact OG1-CA 3.23Å; T398-D460 WeakPolarHBondContact OG1-CA 3.5Å; T398-D460 PolarHBondContact OG1-O 3.19Å
461	H	92.6	Very high	80	Confident	13 Å²	13	24.3 Å²	24.3	6%	0.06	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-109.7	144.8	170.3	-70	-114	0	0	0	111.3	W180 N181 D368 T396 D412 S459	W180-H461 PolarHBondContact NE1-O 3.13Å; N181-H461 HydrophobicContact CB-CB 3.95Å; D368-H461 IonicContact OD1-CE1 3.5Å; D368-H461 IonicContact OD2-CE1 3.9Å; D368-H461 PolarHBondContact OD2-CE1 2.91Å; D368-H461 IonicContact OD2-NE2 2.73Å; T396-H461 CarbonylContact O-C 3.57Å; D412-H461 IonicContact OD1-ND1 3.93Å; D412-H461 PolarHBondContact OD1-ND1 3.1Å; D412-H461 IonicContact OD2-CE1 3.23Å; D412-H461 IonicContact OD2-CG 3.67Å; D412-H461 IonicContact OD2-ND1 3.05Å; D412-H461 PolarHBondContact OD2-ND1 3.36Å; S459-H461 WeakPolarHBondContact CB-O 3.4Å; S459-H461 PolarHBondContact OG-N 3.44Å; S459-H461 PolarHBondContact OG-O 3.16Å
462	A	93.4	Very high	82	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-97.2	142.6	173.6	0	0	0	0	0	109.8	T396 T398 V436 I437 L438 L441	T396-A462 WeakPolarHBondContact O-CB 3.39Å; T396-A462 PolarHBondContact O-N 3.33Å; T398-A462 HydrophobicContact CG2-CB 4.16Å; V436-A462 HydrophobicContact CG1-CB 3.63Å; I437-A462 WeakPolarHBondContact O-CB 3.16Å; L438-A462 HydrophobicContact CD2-CB 3.66Å; L441-A462 HydrophobicContact CD1-CB 3.95Å
463	P	96.1	Very high	84.1	Confident	1 Å²	1	20.7 Å²	20.7	1%	0.006	12%	0.118	C	C	.	.	P	Polyproline II helix	trans	-68.3	142.1	176.6	13	-8.8	0	0	0	111	S179 W180 T202 I437 L441	S179-P463 WeakPolarHBondContact O-CA 3.48Å; W180-P463 HydrophobicContact CB-CB 3.96Å; W180-P463 HydrophobicContact CD2-CB 3.78Å; W180-P463 HydrophobicContact CD2-CG 3.68Å; W180-P463 HydrophobicContact CE3-CB 4.15Å; W180-P463 HydrophobicContact CE3-CG 3.97Å; W180-P463 HydrophobicContact CG-CB 3.69Å; W180-P463 HydrophobicContact CG-CG 4.08Å; W180-P463 HydrophobicContact CH2-CG 4.27Å; W180-P463 HydrophobicContact CZ2-CG 3.99Å; W180-P463 HydrophobicContact CZ3-CG 4.27Å; T202-P463 HydrophobicContact CG2-CG 3.79Å; I437-P463 HydrophobicContact CB-CG 3.95Å; I437-P463 HydrophobicContact CD1-CB 4Å; I437-P463 HydrophobicContact CD1-CG 3.93Å; I437-P463 HydrophobicContact CG2-CG 4.44Å; I437-P463 PolarHBondContact N-O 3.37Å; L441-P463 HydrophobicContact CD2-CG 4.22Å
464	I	96.8	Very high	86.1	Confident	3 Å²	3	21.6 Å²	21.6	2%	0.015	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	157	169.8	70.6	170.3	0	0	0	109.8	G178 S179 L390 T396 D412 N413 A414 G435 V436	G178-I464 CarbonylContact C-O 3.5Å; G178-I464 WeakPolarHBondContact CA-O 3.32Å; S179-I464 PolarHBondContact N-O 3.32Å; S179-I464 VanDerWaalsContact N-O 3.09Å; S179-I464 PolarHBondContact O-N 3.47Å; L390-I464 HydrophobicContact CD1-CB 3.83Å; L390-I464 HydrophobicContact CD1-CD1 4.38Å; L390-I464 HydrophobicContact CD1-CG2 3.45Å; L390-I464 VanDerWaalsContact CD1-CG2 3.45Å; T396-I464 HydrophobicContact CG2-CG2 4.01Å; D412-I464 HydrophobicContact CB-CG2 3.76Å; N413-I464 WeakPolarHBondContact O-CD1 3.13Å; A414-I464 HydrophobicContact CB-CD1 4.4Å; G435-I464 CarbonylContact O-C 3.52Å; G435-I464 WeakPolarHBondContact O-CA 3.35Å; V436-I464 HydrophobicContact CG2-CG2 4.32Å
465	W	96.6	Very high	88.2	Confident	36 Å²	36	21.6 Å²	21.6	14%	0.136	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159.5	175	66	-86.6	0	0	0	112.6	R176 I177 D433 S434 G435 D467	R176-W465 HydrophobicContact CG-CB 4.13Å; R176-W465 HydrophobicContact CG-CE3 4.26Å; R176-W465 VanDerWaalsContact NE-CE3 3.33Å; R176-W465 VanDerWaalsContact NH2-CZ3 3.28Å; I177-W465 CarbonylContact O-C 3.59Å; I177-W465 WeakPolarHBondContact O-CA 3.38Å; D433-W465 HydrophobicContact CB-CH2 4.08Å; D433-W465 HydrophobicContact CB-CZ3 3.87Å; S434-W465 CarbonylContact C-O 3.52Å; S434-W465 WeakPolarHBondContact CA-O 3.16Å; S434-W465 VanDerWaalsContact CB-O 3.28Å; S434-W465 WeakPolarHBondContact CB-O 3.49Å; G435-W465 PolarHBondContact N-O 3.4Å; G435-W465 VanDerWaalsContact O-CD1 3.29Å; G435-W465 PolarHBondContact O-N 3.2Å; W465-D467 WeakPolarHBondContact CZ3-OD2 3.36Å
466	F	95.7	Very high	89.8	Confident	1 Å²	1	17.9 Å²	17.9	0%	0.004	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	155.4	169.1	60.8	-80.5	0	0	0	111.6	I177 I364 V389 A414 L416 D433 I468	I177-F466 HydrophobicContact CB-CD1 4.41Å; I177-F466 HydrophobicContact CB-CD2 4.47Å; I177-F466 HydrophobicContact CB-CE1 3.84Å; I177-F466 HydrophobicContact CB-CE2 3.93Å; I177-F466 HydrophobicContact CB-CZ 3.57Å; I177-F466 HydrophobicContact CD1-CE2 3.98Å; I177-F466 HydrophobicContact CD1-CZ 4.05Å; I177-F466 HydrophobicContact CG1-CE2 4.33Å; I177-F466 HydrophobicContact CG1-CZ 4.32Å; I177-F466 HydrophobicContact CG2-CE1 3.8Å; I177-F466 HydrophobicContact CG2-CE2 4.43Å; I177-F466 HydrophobicContact CG2-CZ 3.61Å; I177-F466 PolarHBondContact N-O 3.27Å; I177-F466 PolarHBondContact O-N 3.1Å; I364-F466 HydrophobicContact CD1-CE2 4.09Å; I364-F466 HydrophobicContact CD1-CZ 4.09Å; I364-F466 HydrophobicContact CG2-CZ 3.82Å; V389-F466 HydrophobicContact CG1-CB 3.54Å; V389-F466 HydrophobicContact CG1-CD1 4.23Å; V389-F466 HydrophobicContact CG1-CG 4.04Å; V389-F466 HydrophobicContact CG2-CB 4.36Å; V389-F466 HydrophobicContact CG2-CD1 4.26Å; V389-F466 HydrophobicContact CG2-CD2 4.4Å; V389-F466 HydrophobicContact CG2-CG 4.08Å; A414-F466 HydrophobicContact CB-CD1 3.88Å; A414-F466 HydrophobicContact CB-CE1 3.44Å; A414-F466 VanDerWaalsContact CB-CE1 3.44Å; A414-F466 HydrophobicContact CB-CZ 4.15Å; L416-F466 HydrophobicContact CD2-CD2 4.44Å; L416-F466 HydrophobicContact CD2-CE2 3.77Å; L416-F466 HydrophobicContact CD2-CZ 3.94Å; D433-F466 VanDerWaalsContact O-CA 3.28Å; D433-F466 WeakPolarHBondContact O-CA 3.45Å; D433-F466 WeakPolarHBondContact O-CB 3.41Å; F466-I468 HydrophobicContact CD2-CG2 4.16Å; F466-I468 HydrophobicContact CE2-CG2 4Å
467	D	94.2	Very high	91	Very high	11 Å²	11	18.7 Å²	18.7	6%	0.059	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	127	-177.2	-65.8	-25.4	0	0	0	111.3	R176 T431 D433 W465	R176-D467 VanDerWaalsContact CA-OD1 3.27Å; R176-D467 WeakPolarHBondContact CA-OD1 3.41Å; R176-D467 WeakPolarHBondContact CB-OD1 3.26Å; R176-D467 WeakPolarHBondContact CG-OD1 3.46Å; R176-D467 IonicContact CZ-OD1 3.83Å; R176-D467 IonicContact CZ-OD2 3.14Å; R176-D467 IonicContact NE-OD1 3.37Å; R176-D467 PolarHBondContact NE-OD1 2.79Å; R176-D467 IonicContact NE-OD2 3.88Å; R176-D467 PolarHBondContact NE-OD2 2.94Å; R176-D467 IonicContact NH2-OD1 3.96Å; R176-D467 IonicContact NH2-OD2 3.59Å; R176-D467 PolarHBondContact NH2-OD2 3.05Å; T431-D467 WeakPolarHBondContact CB-O 3.32Å; T431-D467 HydrophobicContact CG2-CB 4Å; T431-D467 WeakPolarHBondContact CG2-O 3.42Å; T431-D467 PolarHBondContact N-O 2.68Å; T431-D467 WeakPolarHBondContact OG1-CB 3.41Å; T431-D467 PolarHBondContact OG1-O 2.86Å; D433-D467 HydrophobicContact CB-CB 4.29Å; D433-D467 PolarHBondContact O-N 3.4Å; D433-D467 VanDerWaalsContact O-N 3.09Å; W465-D467 WeakPolarHBondContact CZ3-OD2 3.36Å
468	I	93.6	Very high	91.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	140.1	167.3	56.2	163.4	0	0	0	109.4	H174 I175 I177 I314 I428 R429 F466	H174-I468 WeakPolarHBondContact CA-O 3.2Å; I175-I468 HydrophobicContact CB-CD1 4.08Å; I175-I468 HydrophobicContact CB-CG1 3.79Å; I175-I468 HydrophobicContact CG2-CD1 4.37Å; I175-I468 HydrophobicContact CG2-CG1 4.38Å; I175-I468 PolarHBondContact N-O 3.34Å; I175-I468 VanDerWaalsContact O-CG1 3.27Å; I175-I468 WeakPolarHBondContact O-CG1 3.34Å; I175-I468 PolarHBondContact O-N 3.24Å; I177-I468 HydrophobicContact CD1-CD1 3.72Å; I177-I468 HydrophobicContact CD1-CG1 4.06Å; I177-I468 HydrophobicContact CG1-CD1 4.46Å; I177-I468 HydrophobicContact CG1-CG1 4.42Å; I314-I468 HydrophobicContact CD1-CD1 3.82Å; I428-I468 HydrophobicContact CD1-CD1 3.6Å; I428-I468 HydrophobicContact CG1-CB 4.35Å; I428-I468 HydrophobicContact CG1-CD1 4.29Å; R429-I468 CarbonylContact O-C 3.56Å; R429-I468 WeakPolarHBondContact O-CA 3.23Å; F466-I468 HydrophobicContact CD2-CG2 4.16Å; F466-I468 HydrophobicContact CE2-CG2 4Å
469	H	90.5	Very high	91.9	Very high	27 Å²	27	21.2 Å²	21.2	13%	0.125	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.8	174.4	-177.6	77.7	0	0	0	109.8	H174 I428 R429 T431	H174-H469 AromaticContact CE1-CG 3.98Å; H174-H469 AromaticContact CE1-ND1 3.35Å; H174-H469 PolarHBondContact CE1-ND1 2.86Å; H174-H469 AromaticContact ND1-ND1 3.64Å; H174-H469 AromaticContact NE2-ND1 3.88Å; I428-H469 VanDerWaalsContact CA-O 3.32Å; I428-H469 WeakPolarHBondContact CA-O 3.47Å; R429-H469 HydrophobicContact CG-CB 4.28Å; R429-H469 PolarHBondContact N-O 3.3Å; R429-H469 PolarHBondContact O-N 3.37Å; T431-H469 HydrophobicContact CG2-CB 3.85Å
470	L	87.8	Confident	92	Very high	8 Å²	8	22.9 Å²	22.9	4%	0.042	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.9	174.3	-60.3	165.2	0	0	0	108.8	R173 I175 I314 V317 T427 I428	R173-L470 PolarHBondContact O-N 2.94Å; I175-L470 HydrophobicContact CG1-CD1 3.85Å; I314-L470 HydrophobicContact CB-CD1 4.45Å; I314-L470 HydrophobicContact CG2-CD1 3.52Å; V317-L470 HydrophobicContact CB-CD2 4.41Å; V317-L470 HydrophobicContact CG2-CD2 3.97Å; T427-L470 WeakPolarHBondContact O-CA 3.14Å; I428-L470 HydrophobicContact CB-CD2 3.95Å; I428-L470 HydrophobicContact CD1-CD2 3.91Å; I428-L470 HydrophobicContact CG1-CD2 3.86Å
471	T	78.8	Confident	92.4	Very high	126 Å²	126	20.5 Å²	20.5	77%	0.773	11%	0.111	S	C	*	.			trans	-91.6	0	176.7	61.4	0	0	0	0	112.3	T427	T427-T471 VanDerWaalsContact CA-OG1 3.24Å; T427-T471 WeakPolarHBondContact CA-OG1 3.38Å; T427-T471 PolarHBondContact O-N 3.15Å; T427-T471 PolarHBondContact O-OG1 2.81Å

Retrieved 471 of 471 residues in 104.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).