A0A096MPI3_PAPAN Loading...

Transmembrane protein 43

AlphaFold DB (H9FZQ9), UniProt , Accession A0A096MPI3, Species PAPAN (Papio anubis, Olive baboon), Gene TMEM43, Length 400 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	34.9	Very low	35.1	Very low	251 Å²	251	134.6 Å²	134.6	100%	1.236	76%	0.761	S	S	*	*				0	120.5	0	-71.9	173.7	-178.4	0	0	106.6
2	A	28.6	Very low	38.3	Very low	88 Å²	88	137.2 Å²	137.2	73%	0.727	75%	0.75	S	S	*	*			cis	-137.6	125.7	12.5	0	0	0	0	0	108.5	N4	A2-N4 PolarHBondContact O-N 3.21Å
3	A	27.3	Very low	42	Very low	80 Å²	80	134.2 Å²	134.2	66%	0.661	73%	0.727	S	S	*	*			trans	-79	104.2	166.1	0	0	0	0	0	106.7	Y5	A3-Y5 VanDerWaalsContact C-N 3.29Å; A3-Y5 HydrophobicContact CB-CD2 4.08Å; A3-Y5 HydrophobicContact CB-CE2 4.03Å; A3-Y5 PolarHBondContact O-N 2.74Å
4	N	25	Very low	45.3	Very low	153 Å²	153	127 Å²	127	82%	0.818	69%	0.686	S	S	*	*			trans	-72.9	91.9	167.1	-86.4	-10.8	0	0	0	107.8	A2 S6	A2-N4 PolarHBondContact O-N 3.21Å; N4-S6 VanDerWaalsContact C-N 3.26Å; N4-S6 PolarHBondContact O-N 2.96Å
5	Y	30.7	Very low	48.1	Very low	225 Å²	225	122.5 Å²	122.5	88%	0.882	67%	0.665	S	S	*	*			trans	-70.7	88.5	159.3	-82.3	-89.9	0	0	0	107.5	A3	A3-Y5 VanDerWaalsContact C-N 3.29Å; A3-Y5 HydrophobicContact CB-CD2 4.08Å; A3-Y5 HydrophobicContact CB-CE2 4.03Å; A3-Y5 PolarHBondContact O-N 2.74Å
6	S	27	Very low	50.6	Low	103 Å²	103	120.7 Å²	120.7	72%	0.72	65%	0.649	S	S	*	*			trans	-82.8	119.2	164.6	59	0	0	0	0	108.9	N4	N4-S6 VanDerWaalsContact C-N 3.26Å; N4-S6 PolarHBondContact O-N 2.96Å
7	S	28	Very low	52.7	Low	102 Å²	102	117.9 Å²	117.9	71%	0.713	64%	0.636	S	S	*	*			trans	19.1	119.8	159.2	53.8	0	0	0	0	117.7	S9	S7-S9 PolarHBondContact O-N 3.25Å
8	T	32.4	Very low	54.4	Low	153 Å²	153	115.2 Å²	115.2	94%	0.939	63%	0.625	S	S	*	*			trans	-61.2	67.8	163.7	-20.8	0	0	0	0	110.5	T10	T8-T10 PolarHBondContact O-N 3.31Å
9	S	37.6	Very low	55.8	Low	78 Å²	78	113.3 Å²	113.3	55%	0.545	62%	0.617	S	S	.	*			trans	-70.8	113.7	161.9	171.5	0	0	0	0	105.8	S7 R11	S7-S9 PolarHBondContact O-N 3.25Å; S9-R11 PolarHBondContact O-N 3.12Å
10	T	53.1	Low	56.7	Low	82 Å²	82	109.4 Å²	109.4	50%	0.503	60%	0.604	S	S	.	*			trans	-58.6	87.8	163.2	5.4	0	0	0	0	106.7	T8 R12	T8-T10 PolarHBondContact O-N 3.31Å; T10-R12 PolarHBondContact O-N 3.25Å
11	R	61.4	Low	57.3	Low	166 Å²	166	108.7 Å²	108.7	63%	0.626	61%	0.607	S	S	*	*			trans	-62.5	108.1	174.5	-79.8	-170.7	-177.6	174.1	0.9	106.2	S9 E13	S9-R11 PolarHBondContact O-N 3.12Å; R11-E13 PolarHBondContact O-N 3.13Å
12	R	74.2	Confident	58.6	Low	165 Å²	165	101.2 Å²	101.2	62%	0.623	57%	0.57	S	S	*	*	S	Bend	trans	-67.6	-8.3	175.9	-64.6	-175.1	-179.6	177.8	-2.6	112.6	T10 S146 Y147	T10-R12 PolarHBondContact O-N 3.25Å; R12-S146 CarbonylContact O-C 3.6Å; R12-S146 WeakPolarHBondContact O-CA 3.43Å; R12-Y147 PolarHBondContact O-N 2.89Å
13	E	85.4	Confident	60.4	Low	98 Å²	98	98.6 Å²	98.6	46%	0.458	55%	0.545	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	146.8	176.6	-63.4	-179.5	-157.8	0	0	111.1	R11 R144 Y145	R11-E13 PolarHBondContact O-N 3.13Å; E13-R144 IonicContact OE2-NH1 3.49Å; E13-R144 PolarHBondContact OE2-NH1 2.94Å; E13-Y145 WeakPolarHBondContact CA-O 3.45Å
14	H	88.4	Confident	62.4	Low	34 Å²	34	96.6 Å²	96.6	16%	0.157	53%	0.532	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	166.6	162	69.2	-95.3	0	0	0	110.7	Y145 Y147 D162 R163	H14-Y145 AromaticContact CD2-CD2 3.99Å; H14-Y145 PolarHBondContact N-O 2.97Å; H14-Y145 AromaticContact NE2-CD2 3.46Å; H14-Y145 WeakPolarHBondContact NE2-CD2 3.43Å; H14-Y145 AromaticContact NE2-CG 3.92Å; H14-Y145 PolarHBondContact O-N 3.39Å; H14-Y147 AromaticContact CE1-CE2 3.65Å; H14-Y147 AromaticContact CE1-CZ 3.85Å; H14-Y147 PolarHBondContact CE1-OH 3.2Å; H14-Y147 AromaticContact ND1-CE2 3.58Å; H14-D162 IonicContact CD2-OD1 3.41Å; H14-D162 IonicContact CE1-OD1 3.46Å; H14-D162 PolarHBondContact CE1-OD1 3.22Å; H14-D162 IonicContact NE2-OD1 3.67Å; H14-D162 PolarHBondContact NE2-OD1 3.36Å; H14-R163 VanDerWaalsContact CE1-CB 3.47Å; H14-R163 WeakPolarHBondContact CE1-CB 3.49Å
15	V	88	Confident	64.4	Low	59 Å²	59	95.4 Å²	95.4	36%	0.358	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	132	-177.9	176.9	0	0	0	0	108.5	V17 E142 T143 R144	V15-V17 HydrophobicContact CG1-CG2 4.17Å; V15-E142 HydrophobicContact CG1-CG 3.22Å; V15-E142 WeakPolarHBondContact CG1-OE1 3.28Å; V15-T143 WeakPolarHBondContact CA-O 3.16Å; V15-R144 HydrophobicContact CG2-CB 4.33Å; V15-R144 HydrophobicContact CG2-CG 4.38Å
16	K	87.8	Confident	66.2	Low	94 Å²	94	91.2 Å²	91.2	41%	0.409	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120	173.5	-171.8	178.4	-171.1	171.4	0	108.1	T143 Y145 D162	K16-T143 PolarHBondContact N-O 3.26Å; K16-T143 PolarHBondContact O-N 2.92Å; K16-Y145 HydrophobicContact CB-CE2 4.02Å; K16-Y145 HydrophobicContact CD-CE2 4.2Å; K16-D162 WeakPolarHBondContact CD-OD2 3.45Å; K16-D162 IonicContact NZ-OD2 2.83Å; K16-D162 PolarHBondContact NZ-OD2 3.31Å
17	V	85.9	Confident	68.2	Low	73 Å²	73	90.8 Å²	90.8	44%	0.442	50%	0.499	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	119	174.8	-176.6	0	0	0	0	107.8	V15 K140 K141 E142	V15-V17 HydrophobicContact CG1-CG2 4.17Å; V17-K140 HydrophobicContact CG1-CB 4.31Å; V17-K140 HydrophobicContact CG1-CD 4.37Å; V17-K141 WeakPolarHBondContact CA-O 3.45Å; V17-E142 HydrophobicContact CG2-CB 4.41Å; V17-E142 HydrophobicContact CG2-CG 4.14Å
18	T	84.3	Confident	70.2	Confident	69 Å²	69	91 Å²	91	42%	0.423	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	131.5	169.9	49.4	0	0	0	0	109.2	K141	T18-K141 PolarHBondContact N-O 2.87Å; T18-K141 PolarHBondContact O-N 3.2Å; T18-K141 PolarHBondContact OG1-O 2.84Å
19	T	80.6	Confident	71.8	Confident	79 Å²	79	85.6 Å²	85.6	49%	0.485	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125	179.3	-50.5	0	0	0	0	109	Q138 K140	T19-Q138 HydrophobicContact CG2-CB 3.87Å; T19-Q138 HydrophobicContact CG2-CG 4.34Å; T19-K140 HydrophobicContact CG2-CG 4.27Å
20	G	72.8	Confident	73.4	Confident	35 Å²	35	85.1 Å²	85.1	36%	0.361	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	150.7	173.2	0	0	0	0	0	111.1	V139	G20-V139 PolarHBondContact N-O 2.75Å; G20-V139 PolarHBondContact O-N 2.95Å; G20-V139 VanDerWaalsContact O-N 3.13Å
21	S	69.2	Low	74.3	Confident	95 Å²	95	87.2 Å²	87.2	66%	0.664	45%	0.45	S	S	*	.	P	Polyproline II helix	trans	-61.8	147.2	163.9	45.9	0	0	0	0	109.6	P23	S21-P23 WeakPolarHBondContact O-CD 3.22Å; S21-P23 VanDerWaalsContact O-N 3.16Å
22	Q	63.4	Low	75	Confident	95 Å²	95	79.8 Å²	79.8	44%	0.444	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-57.6	123.7	168.1	-83.3	-173.4	1.2	0	0	108.7	G24 G137 V139	Q22-G24 PolarHBondContact O-N 2.99Å; Q22-G137 WeakPolarHBondContact CG-O 3.46Å; Q22-V139 HydrophobicContact CG-CG2 3.82Å
23	P	66	Low	75.1	Confident	33 Å²	33	74.7 Å²	74.7	21%	0.214	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-61.5	131.5	-177.3	20.4	-29.4	0	0	0	108.7	S21 E27 R28	S21-P23 WeakPolarHBondContact O-CD 3.22Å; S21-P23 VanDerWaalsContact O-N 3.16Å; P23-E27 WeakPolarHBondContact CA-OE2 3.07Å; P23-E27 HydrophobicContact CB-CB 4.08Å; P23-E27 HydrophobicContact CB-CG 4.04Å; P23-R28 HydrophobicContact CB-CG 3.87Å; P23-R28 HydrophobicContact CG-CG 3.87Å; P23-R28 PolarHBondContact O-NE 2.86Å
24	G	69.7	Low	74.9	Confident	38 Å²	38	71.9 Å²	71.9	39%	0.392	41%	0.41	S	S	.	.	P	Polyproline II helix	trans	-65.1	169	178.1	0	0	0	0	0	111.4	Q22 L26 E27 R28	Q22-G24 PolarHBondContact O-N 2.99Å; G24-L26 VanDerWaalsContact C-N 3.3Å; G24-L26 PolarHBondContact O-N 2.96Å; G24-E27 PolarHBondContact N-OE2 2.94Å; G24-E27 PolarHBondContact O-N 3.3Å; G24-E27 VanDerWaalsContact O-N 3.1Å; G24-R28 WeakPolarHBondContact O-CG 3.31Å; G24-R28 PolarHBondContact O-N 3.39Å
25	F	65.9	Low	74.7	Confident	127 Å²	127	71.1 Å²	71.1	56%	0.557	41%	0.411	S	S	*	.	H	α-helix	trans	-54.5	-44.2	179.2	176.1	-105.6	0	0	0	112.9	E27 L29 L333	F25-E27 PolarHBondContact O-N 3.39Å; F25-L29 HydrophobicContact CD1-CD1 3.74Å; F25-L29 HydrophobicContact CE1-CD1 3.23Å; F25-L29 HydrophobicContact CE1-CG 4.27Å; F25-L29 HydrophobicContact CE2-CD1 4.07Å; F25-L29 HydrophobicContact CE2-CG 4.32Å; F25-L29 HydrophobicContact CG-CD1 4.37Å; F25-L29 HydrophobicContact CZ-CD1 3.42Å; F25-L29 VanDerWaalsContact CZ-CD1 3.42Å; F25-L29 HydrophobicContact CZ-CG 4.15Å; F25-L29 WeakPolarHBondContact O-CB 3.21Å; F25-L29 WeakPolarHBondContact O-CG 3.31Å; F25-L29 PolarHBondContact O-N 2.93Å; F25-L333 HydrophobicContact CZ-CD2 4.5Å
26	L	68.8	Low	74.7	Confident	137 Å²	137	72 Å²	72	72%	0.717	41%	0.412	S	S	*	.	H	α-helix	trans	-67.3	-34.6	178.5	-66.2	178.6	0	0	0	112.9	G24 L29 S30	G24-L26 VanDerWaalsContact C-N 3.3Å; G24-L26 PolarHBondContact O-N 2.96Å; L26-L29 PolarHBondContact O-N 3.04Å; L26-S30 WeakPolarHBondContact O-CB 3.37Å; L26-S30 PolarHBondContact O-N 3.16Å
27	E	69.8	Low	74.8	Confident	94 Å²	94	72 Å²	72	44%	0.439	42%	0.42	S	S	.	.	H	α-helix	trans	-70.7	-46.1	179.5	-164	168.4	-161.3	0	0	110.3	P23 G24 F25 L29 S30 E31	P23-E27 WeakPolarHBondContact CA-OE2 3.07Å; P23-E27 HydrophobicContact CB-CB 4.08Å; P23-E27 HydrophobicContact CB-CG 4.04Å; G24-E27 PolarHBondContact N-OE2 2.94Å; G24-E27 PolarHBondContact O-N 3.3Å; G24-E27 VanDerWaalsContact O-N 3.1Å; F25-E27 PolarHBondContact O-N 3.39Å; E27-L29 VanDerWaalsContact C-N 3.32Å; E27-L29 PolarHBondContact O-N 3.4Å; E27-S30 PolarHBondContact O-N 3.13Å; E27-S30 VanDerWaalsContact O-N 3.12Å; E27-S30 PolarHBondContact O-OG 3.25Å; E27-E31 WeakPolarHBondContact O-CG 3.5Å; E27-E31 PolarHBondContact O-N 3.16Å
28	R	69.3	Low	75	Confident	107 Å²	107	72.5 Å²	72.5	40%	0.404	42%	0.423	S	S	.	.	H	α-helix	trans	-60.4	-38.5	172.3	-64.3	-177.9	-168.5	-153.6	-1	112.7	P23 G24 T32	P23-R28 HydrophobicContact CB-CG 3.87Å; P23-R28 HydrophobicContact CG-CG 3.87Å; P23-R28 PolarHBondContact O-NE 2.86Å; G24-R28 WeakPolarHBondContact O-CG 3.31Å; G24-R28 PolarHBondContact O-N 3.39Å; R28-T32 WeakPolarHBondContact O-CB 3.43Å; R28-T32 VanDerWaalsContact O-CG2 3.3Å; R28-T32 WeakPolarHBondContact O-CG2 3.44Å; R28-T32 PolarHBondContact O-N 3.1Å; R28-T32 PolarHBondContact O-OG1 3.01Å
29	L	65.8	Low	75.5	Confident	40 Å²	40	69.2 Å²	69.2	21%	0.209	40%	0.403	C	S	.	.	H	α-helix	trans	-66.2	-41.8	173.6	-79.9	176.5	0	0	0	112	F25 L26 E27 T32 S33 I329 T332	F25-L29 HydrophobicContact CD1-CD1 3.74Å; F25-L29 HydrophobicContact CE1-CD1 3.23Å; F25-L29 HydrophobicContact CE1-CG 4.27Å; F25-L29 HydrophobicContact CE2-CD1 4.07Å; F25-L29 HydrophobicContact CE2-CG 4.32Å; F25-L29 HydrophobicContact CG-CD1 4.37Å; F25-L29 HydrophobicContact CZ-CD1 3.42Å; F25-L29 VanDerWaalsContact CZ-CD1 3.42Å; F25-L29 HydrophobicContact CZ-CG 4.15Å; F25-L29 WeakPolarHBondContact O-CB 3.21Å; F25-L29 WeakPolarHBondContact O-CG 3.31Å; F25-L29 PolarHBondContact O-N 2.93Å; L26-L29 PolarHBondContact O-N 3.04Å; E27-L29 VanDerWaalsContact C-N 3.32Å; E27-L29 PolarHBondContact O-N 3.4Å; L29-T32 WeakPolarHBondContact CA-OG1 3.18Å; L29-T32 PolarHBondContact O-N 2.85Å; L29-T32 PolarHBondContact O-OG1 2.84Å; L29-T32 VanDerWaalsContact O-OG1 3.05Å; L29-S33 WeakPolarHBondContact O-CB 3.35Å; L29-S33 PolarHBondContact O-N 2.94Å; L29-I329 HydrophobicContact CD2-CD1 3.69Å; L29-T332 WeakPolarHBondContact CD2-OG1 3.3Å
30	S	72.5	Confident	76.1	Confident	67 Å²	67	69 Å²	69	47%	0.469	40%	0.398	S	S	.	.	H	α-helix	trans	-65.7	-43.5	178.4	74.8	0	0	0	0	112	L26 E27 T32 S33 G34	L26-S30 WeakPolarHBondContact O-CB 3.37Å; L26-S30 PolarHBondContact O-N 3.16Å; E27-S30 PolarHBondContact O-N 3.13Å; E27-S30 VanDerWaalsContact O-N 3.12Å; E27-S30 PolarHBondContact O-OG 3.25Å; S30-T32 VanDerWaalsContact C-N 3.34Å; S30-T32 PolarHBondContact O-N 2.85Å; S30-S33 PolarHBondContact O-N 3.12Å; S30-S33 PolarHBondContact O-OG 2.91Å; S30-G34 PolarHBondContact O-N 2.75Å
31	E	72.2	Confident	77.2	Confident	126 Å²	126	73.3 Å²	73.3	59%	0.589	41%	0.411	S	S	*	.	H	α-helix	trans	-63.1	-40.4	175.8	-73.1	-178	160.6	0	0	111.9	E27	E27-E31 WeakPolarHBondContact O-CG 3.5Å; E27-E31 PolarHBondContact O-N 3.16Å
32	T	75	Confident	78.5	Confident	11 Å²	11	71 Å²	71	7%	0.067	39%	0.392	C	S	.	.	H	α-helix	trans	-73.9	-27.4	177.7	50.8	0	0	0	0	113.1	R28 L29 S30 G35 M36 R328 T332	R28-T32 WeakPolarHBondContact O-CB 3.43Å; R28-T32 VanDerWaalsContact O-CG2 3.3Å; R28-T32 WeakPolarHBondContact O-CG2 3.44Å; R28-T32 PolarHBondContact O-N 3.1Å; R28-T32 PolarHBondContact O-OG1 3.01Å; L29-T32 WeakPolarHBondContact CA-OG1 3.18Å; L29-T32 PolarHBondContact O-N 2.85Å; L29-T32 PolarHBondContact O-OG1 2.84Å; L29-T32 VanDerWaalsContact O-OG1 3.05Å; S30-T32 VanDerWaalsContact C-N 3.34Å; S30-T32 PolarHBondContact O-N 2.85Å; T32-G35 PolarHBondContact O-N 3.15Å; T32-M36 PolarHBondContact O-N 3.44Å; T32-R328 HydrophobicContact CG2-CG 4.19Å; T32-T332 HydrophobicContact CG2-CG2 3.79Å
33	S	77.1	Confident	80.1	Confident	58 Å²	58	68 Å²	68	41%	0.406	38%	0.378	S	S	.	.	H	α-helix	trans	-64.5	-38.7	174.9	76.6	0	0	0	0	112.6	L29 S30 M36 V37	L29-S33 WeakPolarHBondContact O-CB 3.35Å; L29-S33 PolarHBondContact O-N 2.94Å; S30-S33 PolarHBondContact O-N 3.12Å; S30-S33 PolarHBondContact O-OG 2.91Å; S33-M36 WeakPolarHBondContact O-CB 3.4Å; S33-M36 PolarHBondContact O-N 2.94Å; S33-V37 PolarHBondContact O-N 3.46Å; S33-V37 VanDerWaalsContact O-N 3.16Å
34	G	81	Confident	81.5	Confident	39 Å²	39	71 Å²	71	40%	0.402	39%	0.391	S	S	.	.	H	α-helix	trans	-62.5	-44	173.1	0	0	0	0	0	111.9	S30 M36 V37 V38	S30-G34 PolarHBondContact O-N 2.75Å; G34-M36 VanDerWaalsContact C-N 3.3Å; G34-M36 PolarHBondContact O-N 3.17Å; G34-V37 PolarHBondContact O-N 2.81Å; G34-V38 WeakPolarHBondContact O-CG2 3.33Å; G34-V38 PolarHBondContact O-N 2.81Å; G34-V38 VanDerWaalsContact O-N 3.11Å
35	G	83.6	Confident	82.8	Confident	18 Å²	18	74.4 Å²	74.4	19%	0.186	40%	0.4	C	S	.	.	H	α-helix	trans	-59.5	-37.9	173.9	0	0	0	0	0	113.2	T32 G39	T32-G35 PolarHBondContact O-N 3.15Å; G35-G39 PolarHBondContact O-N 2.78Å
36	M	87.9	Confident	84.3	Confident	77 Å²	77	68.4 Å²	68.4	38%	0.379	37%	0.374	S	S	.	.	H	α-helix	trans	-64.2	-44.3	176.7	-176.3	-172.8	177.6	0	0	112.1	T32 S33 G34 G39 L40 M326	T32-M36 PolarHBondContact O-N 3.44Å; S33-M36 WeakPolarHBondContact O-CB 3.4Å; S33-M36 PolarHBondContact O-N 2.94Å; G34-M36 VanDerWaalsContact C-N 3.3Å; G34-M36 PolarHBondContact O-N 3.17Å; M36-G39 PolarHBondContact O-N 3.37Å; M36-L40 WeakPolarHBondContact O-CB 3.45Å; M36-L40 PolarHBondContact O-N 3.07Å; M36-M326 HydrophobicContact CG-CG 4.39Å
37	V	90.1	Very high	85.6	Confident	93 Å²	93	64.6 Å²	64.6	56%	0.564	35%	0.352	S	S	*	.	H	α-helix	trans	-63.5	-45.8	178.3	174.3	0	0	0	0	110.8	S33 G34 G39 L40 M41	S33-V37 PolarHBondContact O-N 3.46Å; S33-V37 VanDerWaalsContact O-N 3.16Å; G34-V37 PolarHBondContact O-N 2.81Å; V37-G39 VanDerWaalsContact C-N 3.28Å; V37-G39 PolarHBondContact O-N 2.89Å; V37-L40 PolarHBondContact O-N 2.84Å; V37-M41 WeakPolarHBondContact O-CG 3.44Å; V37-M41 PolarHBondContact O-N 2.92Å
38	V	91	Very high	86.9	Confident	84 Å²	84	67.5 Å²	67.5	51%	0.509	36%	0.36	S	S	.	.	H	α-helix	trans	-60.4	-42	174.6	174.2	0	0	0	0	110.7	G34 M41 T42 L325	G34-V38 WeakPolarHBondContact O-CG2 3.33Å; G34-V38 PolarHBondContact O-N 2.81Å; G34-V38 VanDerWaalsContact O-N 3.11Å; V38-M41 PolarHBondContact O-N 2.9Å; V38-T42 WeakPolarHBondContact O-CB 3.28Å; V38-T42 PolarHBondContact O-N 3.42Å; V38-T42 PolarHBondContact O-OG1 2.73Å; V38-L325 HydrophobicContact CG1-CD1 4.48Å
39	G	93.3	Very high	88.2	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-59.9	-46.6	175.9	0	0	0	0	0	112.8	G35 M36 V37 T42 F43 G322	G35-G39 PolarHBondContact O-N 2.78Å; M36-G39 PolarHBondContact O-N 3.37Å; V37-G39 VanDerWaalsContact C-N 3.28Å; V37-G39 PolarHBondContact O-N 2.89Å; G39-T42 PolarHBondContact O-N 2.72Å; G39-F43 VanDerWaalsContact O-CB 3.25Å; G39-F43 WeakPolarHBondContact O-CB 3.49Å; G39-F43 PolarHBondContact O-N 2.96Å; G39-G322 VanDerWaalsContact O-CA 3.25Å; G39-G322 WeakPolarHBondContact O-CA 3.35Å
40	L	94.5	Very high	89.7	Confident	74 Å²	74	63.2 Å²	63.2	39%	0.387	35%	0.345	S	S	.	.	H	α-helix	trans	-62.3	-45.9	177.1	178.8	62.7	0	0	0	111.8	M36 V37 T42 F43 L44 M326	M36-L40 WeakPolarHBondContact O-CB 3.45Å; M36-L40 PolarHBondContact O-N 3.07Å; V37-L40 PolarHBondContact O-N 2.84Å; L40-T42 PolarHBondContact O-N 2.74Å; L40-F43 PolarHBondContact O-N 3.15Å; L40-L44 HydrophobicContact CD1-CD1 4.29Å; L40-L44 HydrophobicContact CD1-CG 4.29Å; L40-L44 HydrophobicContact CG-CD1 4.27Å; L40-L44 WeakPolarHBondContact O-CG 3.22Å; L40-L44 PolarHBondContact O-N 3.13Å; L40-M326 HydrophobicContact CB-CG 4.48Å; L40-M326 HydrophobicContact CB-SD 4.16Å; L40-M326 HydrophobicContact CD1-CE 3.98Å; L40-M326 HydrophobicContact CD1-SD 4.15Å
41	M	95.8	Very high	90.8	Very high	127 Å²	127	62.8 Å²	62.8	63%	0.626	34%	0.335	S	S	*	.	H	α-helix	trans	-62.4	-44.2	177.6	-70.5	-65.6	-82.7	0	0	111.5	V37 V38 F43 L44 L45	V37-M41 WeakPolarHBondContact O-CG 3.44Å; V37-M41 PolarHBondContact O-N 2.92Å; V38-M41 PolarHBondContact O-N 2.9Å; M41-F43 VanDerWaalsContact C-N 3.35Å; M41-F43 PolarHBondContact O-N 3.29Å; M41-L44 PolarHBondContact O-N 3.14Å; M41-L45 VanDerWaalsContact O-CB 3.32Å; M41-L45 WeakPolarHBondContact O-CB 3.36Å; M41-L45 PolarHBondContact O-N 3.12Å
42	T	96	Very high	91.9	Very high	45 Å²	45	59.1 Å²	59.1	28%	0.276	32%	0.321	S	S	.	.	H	α-helix	trans	-62.4	-43.3	176.8	-54.1	0	0	0	0	111.1	V38 G39 L40 L45 S46 A318	V38-T42 WeakPolarHBondContact O-CB 3.28Å; V38-T42 PolarHBondContact O-N 3.42Å; V38-T42 PolarHBondContact O-OG1 2.73Å; G39-T42 PolarHBondContact O-N 2.72Å; L40-T42 PolarHBondContact O-N 2.74Å; T42-L45 PolarHBondContact O-N 2.83Å; T42-S46 PolarHBondContact O-N 3.28Å; T42-A318 HydrophobicContact CG2-CB 4.01Å; T42-A318 WeakPolarHBondContact CG2-O 3.08Å
43	F	96.1	Very high	93	Very high	32 Å²	32	58.8 Å²	58.8	14%	0.14	32%	0.319	C	S	.	.	H	α-helix	trans	-60.4	-48.1	175.9	174	-103.7	0	0	0	111.6	G39 L40 M41 S46 F47 M319 L323 M326 L359	G39-F43 VanDerWaalsContact O-CB 3.25Å; G39-F43 WeakPolarHBondContact O-CB 3.49Å; G39-F43 PolarHBondContact O-N 2.96Å; L40-F43 PolarHBondContact O-N 3.15Å; M41-F43 VanDerWaalsContact C-N 3.35Å; M41-F43 PolarHBondContact O-N 3.29Å; F43-S46 WeakPolarHBondContact O-CB 3.13Å; F43-S46 PolarHBondContact O-N 3.48Å; F43-S46 PolarHBondContact O-OG 3.32Å; F43-F47 HydrophobicContact CD1-CE2 4.06Å; F43-F47 HydrophobicContact CD2-CE2 4.24Å; F43-F47 AromaticContact CE1-CE2 3.6Å; F43-F47 HydrophobicContact CE1-CE2 3.6Å; F43-F47 HydrophobicContact CE1-CZ 4.25Å; F43-F47 AromaticContact CE2-CE2 3.78Å; F43-F47 HydrophobicContact CE2-CE2 3.78Å; F43-F47 HydrophobicContact CE2-CZ 4.1Å; F43-F47 HydrophobicContact CG-CE2 4.37Å; F43-F47 AromaticContact CZ-CE2 3.46Å; F43-F47 HydrophobicContact CZ-CE2 3.46Å; F43-F47 VanDerWaalsContact CZ-CE2 3.46Å; F43-F47 AromaticContact CZ-CZ 3.73Å; F43-F47 HydrophobicContact CZ-CZ 3.73Å; F43-F47 VanDerWaalsContact O-CD2 3.25Å; F43-F47 WeakPolarHBondContact O-CD2 3.34Å; F43-M319 HydrophobicContact CD2-CG 3.55Å; F43-M319 HydrophobicContact CE2-CG 3.61Å; F43-M319 HydrophobicContact CE2-SD 4.24Å; F43-L323 HydrophobicContact CD2-CD1 4.48Å; F43-L323 HydrophobicContact CD2-CD2 3.95Å; F43-L323 HydrophobicContact CD2-CG 3.82Å; F43-L323 HydrophobicContact CE2-CD1 4.16Å; F43-L323 HydrophobicContact CE2-CD2 3.74Å; F43-L323 HydrophobicContact CE2-CG 3.86Å; F43-L323 HydrophobicContact CZ-CD2 4.32Å; F43-M326 HydrophobicContact CB-SD 4.32Å; F43-L359 HydrophobicContact CE2-CD1 3.86Å; F43-L359 HydrophobicContact CZ-CD1 3.77Å
44	L	96.9	Very high	93.8	Very high	96 Å²	96	56.4 Å²	56.4	50%	0.503	30%	0.301	S	S	.	.	H	α-helix	trans	-65.2	-42.6	178.1	-68.5	176.1	0	0	0	112.4	L40 M41 S46 F47	L40-L44 HydrophobicContact CD1-CD1 4.29Å; L40-L44 HydrophobicContact CD1-CG 4.29Å; L40-L44 HydrophobicContact CG-CD1 4.27Å; L40-L44 WeakPolarHBondContact O-CG 3.22Å; L40-L44 PolarHBondContact O-N 3.13Å; M41-L44 PolarHBondContact O-N 3.14Å; L44-S46 PolarHBondContact O-N 2.88Å; L44-F47 PolarHBondContact O-N 2.96Å
45	L	97.1	Very high	94.4	Very high	110 Å²	110	55 Å²	55	58%	0.576	29%	0.287	S	S	*	.	H	α-helix	trans	-63.2	-30	178.5	-172.6	63.5	0	0	0	112.1	M41 T42 F47 Y48 L49	M41-L45 VanDerWaalsContact O-CB 3.32Å; M41-L45 WeakPolarHBondContact O-CB 3.36Å; M41-L45 PolarHBondContact O-N 3.12Å; T42-L45 PolarHBondContact O-N 2.83Å; L45-F47 VanDerWaalsContact C-N 3.32Å; L45-F47 PolarHBondContact O-N 2.84Å; L45-Y48 HydrophobicContact CD1-CD1 4.13Å; L45-Y48 PolarHBondContact O-N 2.73Å; L45-L49 WeakPolarHBondContact O-CB 3.31Å; L45-L49 PolarHBondContact O-N 3.42Å
46	S	97.5	Very high	95	Very high	2 Å²	2	58 Å²	58	1%	0.014	29%	0.293	C	S	.	.	H	α-helix	trans	-60.5	-39.4	177.2	78.3	0	0	0	0	112.8	T42 F43 L44 L49 I50 G315 M319	T42-S46 PolarHBondContact O-N 3.28Å; F43-S46 WeakPolarHBondContact O-CB 3.13Å; F43-S46 PolarHBondContact O-N 3.48Å; F43-S46 PolarHBondContact O-OG 3.32Å; L44-S46 PolarHBondContact O-N 2.88Å; S46-L49 PolarHBondContact O-N 3.19Å; S46-I50 WeakPolarHBondContact O-CD1 3.36Å; S46-I50 VanDerWaalsContact O-CG1 3.24Å; S46-I50 WeakPolarHBondContact O-CG1 3.43Å; S46-I50 PolarHBondContact O-N 2.84Å; S46-G315 WeakPolarHBondContact CB-O 3.44Å; S46-M319 WeakPolarHBondContact OG-CB 3.45Å; S46-M319 WeakPolarHBondContact OG-CE 3.38Å
47	F	95.9	Very high	95.3	Very high	56 Å²	56	54.6 Å²	54.6	25%	0.246	28%	0.277	C	S	.	.	H	α-helix	trans	-62.5	-47.5	175.6	-70.9	-87.1	0	0	0	111.3	F43 L44 L45 L49 I50 F51 M319 L359 T363	F43-F47 HydrophobicContact CD1-CE2 4.06Å; F43-F47 HydrophobicContact CD2-CE2 4.24Å; F43-F47 AromaticContact CE1-CE2 3.6Å; F43-F47 HydrophobicContact CE1-CE2 3.6Å; F43-F47 HydrophobicContact CE1-CZ 4.25Å; F43-F47 AromaticContact CE2-CE2 3.78Å; F43-F47 HydrophobicContact CE2-CE2 3.78Å; F43-F47 HydrophobicContact CE2-CZ 4.1Å; F43-F47 HydrophobicContact CG-CE2 4.37Å; F43-F47 AromaticContact CZ-CE2 3.46Å; F43-F47 HydrophobicContact CZ-CE2 3.46Å; F43-F47 VanDerWaalsContact CZ-CE2 3.46Å; F43-F47 AromaticContact CZ-CZ 3.73Å; F43-F47 HydrophobicContact CZ-CZ 3.73Å; F43-F47 VanDerWaalsContact O-CD2 3.25Å; F43-F47 WeakPolarHBondContact O-CD2 3.34Å; L44-F47 PolarHBondContact O-N 2.96Å; L45-F47 VanDerWaalsContact C-N 3.32Å; L45-F47 PolarHBondContact O-N 2.84Å; F47-L49 VanDerWaalsContact C-N 3.35Å; F47-L49 PolarHBondContact O-N 2.98Å; F47-I50 PolarHBondContact O-N 2.85Å; F47-F51 WeakPolarHBondContact O-CB 3.4Å; F47-F51 PolarHBondContact O-N 2.78Å; F47-M319 HydrophobicContact CD1-CE 3.98Å; F47-M319 HydrophobicContact CD2-CE 4.03Å; F47-M319 HydrophobicContact CE1-CE 3.71Å; F47-M319 HydrophobicContact CE2-CE 3.76Å; F47-M319 HydrophobicContact CG-CE 4.12Å; F47-M319 HydrophobicContact CZ-CE 3.6Å; F47-M319 HydrophobicContact CZ-SD 4.29Å; F47-L359 HydrophobicContact CE1-CB 4.18Å; F47-L359 HydrophobicContact CZ-CB 4.1Å; F47-L359 HydrophobicContact CZ-CD1 4.15Å; F47-L359 HydrophobicContact CZ-CD2 4.4Å; F47-L359 HydrophobicContact CZ-CG 4.46Å; F47-T363 HydrophobicContact CD1-CG2 4.11Å; F47-T363 WeakPolarHBondContact CD1-OG1 3.11Å; F47-T363 WeakPolarHBondContact CE1-OG1 3.26Å
48	Y	96.4	Very high	95.5	Very high	156 Å²	156	51.9 Å²	51.9	61%	0.612	26%	0.259	S	S	*	.	H	α-helix	trans	-59.5	-46.2	178.3	176	-100.6	0	0	0	111.3	L45 T52	L45-Y48 HydrophobicContact CD1-CD1 4.13Å; L45-Y48 PolarHBondContact O-N 2.73Å; Y48-T52 HydrophobicContact CD2-CG2 3.87Å; Y48-T52 HydrophobicContact CE1-CG2 4.28Å; Y48-T52 HydrophobicContact CE2-CG2 3.51Å; Y48-T52 HydrophobicContact CG-CG2 4.39Å; Y48-T52 WeakPolarHBondContact O-CB 3.17Å; Y48-T52 WeakPolarHBondContact O-CG2 3.26Å; Y48-T52 PolarHBondContact O-N 2.86Å; Y48-T52 PolarHBondContact O-OG1 3.07Å
49	L	97.3	Very high	95.7	Very high	56 Å²	56	51.7 Å²	51.7	29%	0.293	25%	0.252	S	S	.	.	H	α-helix	trans	-60.5	-49.2	178	-176.1	154.7	0	0	0	111.8	L45 S46 F47 T52 N53 L311	L45-L49 WeakPolarHBondContact O-CB 3.31Å; L45-L49 PolarHBondContact O-N 3.42Å; S46-L49 PolarHBondContact O-N 3.19Å; F47-L49 VanDerWaalsContact C-N 3.35Å; F47-L49 PolarHBondContact O-N 2.98Å; L49-T52 PolarHBondContact O-OG1 3.34Å; L49-N53 WeakPolarHBondContact O-CB 3.22Å; L49-N53 PolarHBondContact O-N 2.83Å; L49-N53 VanDerWaalsContact O-N 3.08Å; L49-L311 HydrophobicContact CD2-CB 4.29Å; L49-L311 HydrophobicContact CD2-CD2 4.33Å; L49-L311 WeakPolarHBondContact CD2-O 3.38Å
50	I	96.8	Very high	95.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.6	-47.7	-179.2	-65.9	161.8	0	0	0	110.4	S46 F47 N53 E54 M319 T360 T363 V364	S46-I50 WeakPolarHBondContact O-CD1 3.36Å; S46-I50 VanDerWaalsContact O-CG1 3.24Å; S46-I50 WeakPolarHBondContact O-CG1 3.43Å; S46-I50 PolarHBondContact O-N 2.84Å; F47-I50 PolarHBondContact O-N 2.85Å; I50-N53 WeakPolarHBondContact O-CB 3.31Å; I50-N53 PolarHBondContact O-N 3.06Å; I50-E54 PolarHBondContact O-N 3.28Å; I50-M319 HydrophobicContact CD1-CE 4.1Å; I50-T360 HydrophobicContact CD1-CG2 4.07Å; I50-T363 HydrophobicContact CB-CG2 3.99Å; I50-T363 HydrophobicContact CG2-CG2 3.81Å; I50-V364 HydrophobicContact CG2-CG2 3.64Å
51	F	95.9	Very high	95.9	Very high	59 Å²	59	50.8 Å²	50.8	26%	0.259	25%	0.252	S	S	.	.	H	α-helix	trans	-64.6	-49.2	-176.8	-176.5	-94.1	0	0	0	112.2	F47 N53 E54 G55 T363 F370 Y371	F47-F51 WeakPolarHBondContact O-CB 3.4Å; F47-F51 PolarHBondContact O-N 2.78Å; F51-N53 VanDerWaalsContact C-N 3.27Å; F51-N53 PolarHBondContact O-N 3.13Å; F51-E54 WeakPolarHBondContact O-CB 3.25Å; F51-E54 PolarHBondContact O-N 3.46Å; F51-E54 VanDerWaalsContact O-N 3.15Å; F51-G55 PolarHBondContact O-N 2.86Å; F51-T363 HydrophobicContact CB-CG2 4.16Å; F51-F370 HydrophobicContact CE1-CD1 4.48Å; F51-F370 HydrophobicContact CE2-CB 4.18Å; F51-F370 HydrophobicContact CZ-CB 3.99Å; F51-F370 AromaticContact CZ-CD1 3.85Å; F51-F370 HydrophobicContact CZ-CD1 3.85Å; F51-F370 HydrophobicContact CZ-CE1 4.49Å; F51-F370 AromaticContact CZ-CG 3.86Å; F51-F370 HydrophobicContact CZ-CG 3.86Å; F51-Y371 HydrophobicContact CD1-CE2 4.19Å; F51-Y371 AromaticContact CE1-CE2 3.77Å; F51-Y371 HydrophobicContact CE1-CE2 3.77Å; F51-Y371 AromaticContact CE1-CZ 3.83Å; F51-Y371 VanDerWaalsContact CE1-OH 3.3Å; F51-Y371 WeakPolarHBondContact CE1-OH 3.34Å; F51-Y371 HydrophobicContact CE2-CE2 4.33Å; F51-Y371 AromaticContact CZ-CE2 3.85Å; F51-Y371 HydrophobicContact CZ-CE2 3.85Å; F51-Y371 WeakPolarHBondContact O-CE2 3.47Å
52	T	95.4	Very high	95.9	Very high	48 Å²	48	47.2 Å²	47.2	29%	0.294	24%	0.237	S	C	.	.	H	α-helix	trans	-66.2	-30	178.8	56	0	0	0	0	112.5	Y48 L49 E54 G55 R56	Y48-T52 HydrophobicContact CD2-CG2 3.87Å; Y48-T52 HydrophobicContact CE1-CG2 4.28Å; Y48-T52 HydrophobicContact CE2-CG2 3.51Å; Y48-T52 HydrophobicContact CG-CG2 4.39Å; Y48-T52 WeakPolarHBondContact O-CB 3.17Å; Y48-T52 WeakPolarHBondContact O-CG2 3.26Å; Y48-T52 PolarHBondContact O-N 2.86Å; Y48-T52 PolarHBondContact O-OG1 3.07Å; L49-T52 PolarHBondContact O-OG1 3.34Å; T52-E54 VanDerWaalsContact C-N 3.34Å; T52-E54 PolarHBondContact O-N 3.38Å; T52-G55 PolarHBondContact O-N 3.49Å; T52-R56 PolarHBondContact O-N 2.87Å
53	N	97.3	Very high	95.9	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-62.5	-37.1	172.9	176.8	50.7	0	0	0	112.5	L49 I50 F51 R56 A57 T308 L311	L49-N53 WeakPolarHBondContact O-CB 3.22Å; L49-N53 PolarHBondContact O-N 2.83Å; L49-N53 VanDerWaalsContact O-N 3.08Å; I50-N53 WeakPolarHBondContact O-CB 3.31Å; I50-N53 PolarHBondContact O-N 3.06Å; F51-N53 VanDerWaalsContact C-N 3.27Å; F51-N53 PolarHBondContact O-N 3.13Å; N53-R56 PolarHBondContact O-N 2.93Å; N53-R56 PolarHBondContact OD1-NE 2.94Å; N53-R56 PolarHBondContact OD1-NH2 3.41Å; N53-A57 WeakPolarHBondContact O-CB 3.41Å; N53-A57 PolarHBondContact O-N 3.12Å; N53-T308 PolarHBondContact ND2-O 3.36Å; N53-L311 HydrophobicContact CB-CB 4.28Å; N53-L311 HydrophobicContact CB-CD1 4.35Å; N53-L311 WeakPolarHBondContact OD1-CD1 3.24Å
54	E	94.9	Very high	96	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.037	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-44.2	174.4	-63.1	-54.7	136.4	0	0	111.8	I50 F51 T52 A57 L58 R312 W368 Y371	I50-E54 PolarHBondContact O-N 3.28Å; F51-E54 WeakPolarHBondContact O-CB 3.25Å; F51-E54 PolarHBondContact O-N 3.46Å; F51-E54 VanDerWaalsContact O-N 3.15Å; T52-E54 VanDerWaalsContact C-N 3.34Å; T52-E54 PolarHBondContact O-N 3.38Å; E54-A57 PolarHBondContact O-N 3.11Å; E54-L58 PolarHBondContact O-N 2.9Å; E54-R312 IonicContact OE1-CZ 3.58Å; E54-R312 IonicContact OE1-NE 3.77Å; E54-R312 PolarHBondContact OE1-NE 3.33Å; E54-R312 IonicContact OE1-NH2 2.76Å; E54-R312 PolarHBondContact OE1-NH2 3.47Å; E54-R312 IonicContact OE2-CZ 2.82Å; E54-R312 IonicContact OE2-NH2 3.25Å; E54-R312 PolarHBondContact OE2-NH2 3.12Å; E54-W368 PolarHBondContact OE2-NE1 2.93Å; E54-Y371 HydrophobicContact CB-CD2 4.03Å; E54-Y371 HydrophobicContact CB-CE2 4.41Å
55	G	93.8	Very high	95.9	Very high	11 Å²	11	42 Å²	42	11%	0.113	22%	0.218	C	C	.	.	H	α-helix	trans	-61.9	-49.8	177.1	0	0	0	0	0	111.9	F51 T52 A57 L58 K59 Y371	F51-G55 PolarHBondContact O-N 2.86Å; T52-G55 PolarHBondContact O-N 3.49Å; G55-A57 PolarHBondContact O-N 3.44Å; G55-L58 PolarHBondContact O-N 3.37Å; G55-K59 VanDerWaalsContact O-CB 3.3Å; G55-K59 WeakPolarHBondContact O-CB 3.46Å; G55-K59 PolarHBondContact O-N 2.99Å; G55-Y371 VanDerWaalsContact CA-CE2 3.48Å
56	R	95	Very high	95.9	Very high	80 Å²	80	38.3 Å²	38.3	30%	0.302	20%	0.197	S	C	.	.	H	α-helix	trans	-56.4	-49.2	175	-175.7	-157.1	61.8	67.7	6.1	111.3	T52 N53 L58 K59 T60 N304 T308	T52-R56 PolarHBondContact O-N 2.87Å; N53-R56 PolarHBondContact O-N 2.93Å; N53-R56 PolarHBondContact OD1-NE 2.94Å; N53-R56 PolarHBondContact OD1-NH2 3.41Å; R56-L58 VanDerWaalsContact C-N 3.34Å; R56-L58 PolarHBondContact O-N 3Å; R56-K59 PolarHBondContact O-N 3.16Å; R56-T60 WeakPolarHBondContact O-CB 3.24Å; R56-T60 PolarHBondContact O-N 3.05Å; R56-T60 PolarHBondContact O-OG1 2.86Å; R56-T60 VanDerWaalsContact O-OG1 3.11Å; R56-N304 PolarHBondContact NH1-OD1 2.89Å; R56-T308 PolarHBondContact NH2-OG1 2.8Å; R56-T308 VanDerWaalsContact NH2-OG1 3.15Å
57	A	95.2	Very high	95.9	Very high	6 Å²	6	38.2 Å²	38.2	5%	0.05	20%	0.197	C	C	.	.	H	α-helix	trans	-59.9	-43	-177.3	0	0	0	0	0	112.2	N53 E54 G55 A61 N304 T308	N53-A57 WeakPolarHBondContact O-CB 3.41Å; N53-A57 PolarHBondContact O-N 3.12Å; E54-A57 PolarHBondContact O-N 3.11Å; G55-A57 PolarHBondContact O-N 3.44Å; A57-A61 VanDerWaalsContact O-CB 3.32Å; A57-A61 WeakPolarHBondContact O-CB 3.35Å; A57-A61 PolarHBondContact O-N 3.39Å; A57-N304 PolarHBondContact O-ND2 3.44Å; A57-T308 HydrophobicContact CB-CG2 3.75Å; A57-T308 WeakPolarHBondContact CB-OG1 3.39Å
58	L	93.9	Very high	95.9	Very high	36 Å²	36	38.6 Å²	38.6	19%	0.188	20%	0.201	C	C	.	.	H	α-helix	trans	-67.9	-46.3	175	174.3	65.8	0	0	0	112.2	E54 G55 R56 T60 A61 T62 Y371 R372	E54-L58 PolarHBondContact O-N 2.9Å; G55-L58 PolarHBondContact O-N 3.37Å; R56-L58 VanDerWaalsContact C-N 3.34Å; R56-L58 PolarHBondContact O-N 3Å; L58-T60 VanDerWaalsContact C-N 3.27Å; L58-T60 PolarHBondContact O-N 3.36Å; L58-A61 PolarHBondContact O-N 3.38Å; L58-A61 VanDerWaalsContact O-N 3.16Å; L58-T62 HydrophobicContact CD1-CG2 3.7Å; L58-T62 HydrophobicContact CG-CG2 4.25Å; L58-T62 WeakPolarHBondContact O-CG2 3.22Å; L58-T62 PolarHBondContact O-N 3.49Å; L58-T62 PolarHBondContact O-OG1 2.96Å; L58-Y371 WeakPolarHBondContact CD2-O 3.26Å; L58-R372 HydrophobicContact CD1-CG 4.09Å; L58-R372 HydrophobicContact CD2-CG 3.71Å; L58-R372 HydrophobicContact CG-CG 4.41Å
59	K	94.8	Very high	95.9	Very high	80 Å²	80	35.6 Å²	35.6	35%	0.348	20%	0.203	S	C	.	.	H	α-helix	trans	-57.9	-42.9	-179.2	-168.4	-176.8	177.6	-136.7	0	111.5	G55 R56 T62 S63 S279 G280 D281	G55-K59 VanDerWaalsContact O-CB 3.3Å; G55-K59 WeakPolarHBondContact O-CB 3.46Å; G55-K59 PolarHBondContact O-N 2.99Å; R56-K59 PolarHBondContact O-N 3.16Å; K59-T62 WeakPolarHBondContact CA-OG1 3.21Å; K59-T62 PolarHBondContact O-OG1 3.47Å; K59-S63 VanDerWaalsContact O-CB 3.26Å; K59-S63 WeakPolarHBondContact O-CB 3.41Å; K59-S63 PolarHBondContact O-N 3.29Å; K59-S63 PolarHBondContact O-OG 3.46Å; K59-S279 WeakPolarHBondContact CE-O 3.07Å; K59-S279 VanDerWaalsContact CG-O 3.24Å; K59-S279 WeakPolarHBondContact CG-O 3.29Å; K59-G280 VanDerWaalsContact CE-O 3.31Å; K59-G280 WeakPolarHBondContact CE-O 3.42Å; K59-G280 PolarHBondContact NZ-O 2.82Å; K59-D281 VanDerWaalsContact CD-OD1 3.26Å; K59-D281 WeakPolarHBondContact CD-OD1 3.4Å; K59-D281 WeakPolarHBondContact CE-OD1 3.34Å; K59-D281 IonicContact NZ-OD1 3.16Å; K59-D281 PolarHBondContact NZ-OD1 2.78Å
60	T	96	Very high	95.9	Very high	32 Å²	32	36.4 Å²	36.4	20%	0.196	21%	0.207	C	C	.	.	H	α-helix	trans	-68.6	-43.5	175.4	-57.6	0	0	0	0	111.7	R56 L58 T62 S63 L64 D281 N304	R56-T60 WeakPolarHBondContact O-CB 3.24Å; R56-T60 PolarHBondContact O-N 3.05Å; R56-T60 PolarHBondContact O-OG1 2.86Å; R56-T60 VanDerWaalsContact O-OG1 3.11Å; L58-T60 VanDerWaalsContact C-N 3.27Å; L58-T60 PolarHBondContact O-N 3.36Å; T60-T62 PolarHBondContact O-N 2.93Å; T60-S63 PolarHBondContact O-N 3.25Å; T60-L64 HydrophobicContact CG2-CD1 3.9Å; T60-L64 HydrophobicContact CG2-CG 4.34Å; T60-L64 WeakPolarHBondContact O-CB 3.47Å; T60-L64 VanDerWaalsContact O-CG 3.22Å; T60-L64 WeakPolarHBondContact O-CG 3.48Å; T60-L64 PolarHBondContact O-N 2.91Å; T60-D281 WeakPolarHBondContact CA-OD2 3.42Å; T60-D281 WeakPolarHBondContact CB-OD2 3.45Å; T60-D281 PolarHBondContact N-OD2 3.44Å; T60-D281 VanDerWaalsContact N-OD2 3.12Å; T60-D281 PolarHBondContact OG1-OD2 2.89Å; T60-N304 HydrophobicContact CG2-CB 4.19Å
61	A	95.7	Very high	96	Very high	23 Å²	23	37.6 Å²	37.6	19%	0.19	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-41.2	178.6	0	0	0	0	0	113	A57 L58 L64 A65 L301	A57-A61 VanDerWaalsContact O-CB 3.32Å; A57-A61 WeakPolarHBondContact O-CB 3.35Å; A57-A61 PolarHBondContact O-N 3.39Å; L58-A61 PolarHBondContact O-N 3.38Å; L58-A61 VanDerWaalsContact O-N 3.16Å; A61-L64 PolarHBondContact O-N 3.48Å; A61-A65 WeakPolarHBondContact O-CB 3.49Å; A61-A65 PolarHBondContact O-N 2.84Å; A61-L301 HydrophobicContact CB-CD2 4.17Å
62	T	95.6	Very high	96	Very high	52 Å²	52	36.6 Å²	36.6	32%	0.319	21%	0.213	S	C	.	.	H	α-helix	trans	-68.8	-41.1	177	46.9	0	0	0	0	111.8	L58 K59 T60 L64 A65 E66 S279	L58-T62 HydrophobicContact CD1-CG2 3.7Å; L58-T62 HydrophobicContact CG-CG2 4.25Å; L58-T62 WeakPolarHBondContact O-CG2 3.22Å; L58-T62 PolarHBondContact O-N 3.49Å; L58-T62 PolarHBondContact O-OG1 2.96Å; K59-T62 WeakPolarHBondContact CA-OG1 3.21Å; K59-T62 PolarHBondContact O-OG1 3.47Å; T60-T62 PolarHBondContact O-N 2.93Å; T62-L64 PolarHBondContact O-N 3.05Å; T62-A65 PolarHBondContact O-N 3.39Å; T62-E66 WeakPolarHBondContact O-CB 3.46Å; T62-E66 PolarHBondContact O-N 2.7Å; T62-S279 WeakPolarHBondContact CB-OG 3.4Å; T62-S279 PolarHBondContact OG1-OG 3.34Å
63	S	96.8	Very high	96.1	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.007	22%	0.221	C	C	.	.	H	α-helix	trans	-62.6	-39.9	174	-62.3	0	0	0	0	112.8	K59 T60 G67 T277 S279 D281	K59-S63 VanDerWaalsContact O-CB 3.26Å; K59-S63 WeakPolarHBondContact O-CB 3.41Å; K59-S63 PolarHBondContact O-N 3.29Å; K59-S63 PolarHBondContact O-OG 3.46Å; T60-S63 PolarHBondContact O-N 3.25Å; S63-G67 PolarHBondContact O-N 3.15Å; S63-T277 WeakPolarHBondContact CB-OG1 3.38Å; S63-T277 PolarHBondContact OG-OG1 3.38Å; S63-S279 WeakPolarHBondContact OG-CB 3.45Å; S63-D281 WeakPolarHBondContact OG-CB 3.36Å
64	L	97.3	Very high	95.9	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	23%	0.227	C	C	.	.	H	α-helix	trans	-68.3	-39.4	175.5	-70.7	169.2	0	0	0	111.6	T60 A61 T62 G67 L68 L283 L285 F297 E300 L301	T60-L64 HydrophobicContact CG2-CD1 3.9Å; T60-L64 HydrophobicContact CG2-CG 4.34Å; T60-L64 WeakPolarHBondContact O-CB 3.47Å; T60-L64 VanDerWaalsContact O-CG 3.22Å; T60-L64 WeakPolarHBondContact O-CG 3.48Å; T60-L64 PolarHBondContact O-N 2.91Å; A61-L64 PolarHBondContact O-N 3.48Å; T62-L64 PolarHBondContact O-N 3.05Å; L64-G67 PolarHBondContact O-N 2.78Å; L64-L68 WeakPolarHBondContact O-CB 3.49Å; L64-L68 PolarHBondContact O-N 2.95Å; L64-L283 HydrophobicContact CD2-CD2 3.95Å; L64-L285 HydrophobicContact CD2-CD1 4.43Å; L64-F297 HydrophobicContact CB-CD1 4.14Å; L64-F297 HydrophobicContact CD2-CD1 3.78Å; L64-F297 HydrophobicContact CD2-CE1 4.06Å; L64-F297 VanDerWaalsContact O-CD1 3.31Å; L64-F297 WeakPolarHBondContact O-CD1 3.32Å; L64-F297 WeakPolarHBondContact O-CE1 3.36Å; L64-E300 HydrophobicContact CD1-CB 3.73Å; L64-E300 HydrophobicContact CD2-CB 3.66Å; L64-E300 HydrophobicContact CD2-CG 4.2Å; L64-E300 HydrophobicContact CG-CB 4.37Å; L64-L301 HydrophobicContact CB-CD2 4.16Å; L64-L301 HydrophobicContact CB-CG 4.37Å; L64-L301 HydrophobicContact CD1-CD2 3.88Å; L64-L301 HydrophobicContact CD1-CG 4.01Å
65	A	96.4	Very high	95.7	Very high	59 Å²	59	46.3 Å²	46.3	49%	0.488	27%	0.27	S	S	.	.	H	α-helix	trans	-65.1	-42.5	174.9	0	0	0	0	0	112.1	A61 T62 L68 S69	A61-A65 WeakPolarHBondContact O-CB 3.49Å; A61-A65 PolarHBondContact O-N 2.84Å; T62-A65 PolarHBondContact O-N 3.39Å; A65-L68 PolarHBondContact O-N 3.5Å; A65-S69 PolarHBondContact O-N 2.95Å; A65-S69 VanDerWaalsContact O-N 3.12Å
66	E	96.6	Very high	95.6	Very high	31 Å²	31	48 Å²	48	15%	0.145	28%	0.28	C	S	.	.	H	α-helix	trans	-58.2	-49.7	171.4	-179.6	-178.6	165.2	0	0	110.8	T62 L68 S69 L70 T277 K278 S279	T62-E66 WeakPolarHBondContact O-CB 3.46Å; T62-E66 PolarHBondContact O-N 2.7Å; E66-L68 PolarHBondContact O-N 3.4Å; E66-S69 PolarHBondContact O-N 3.27Å; E66-S69 VanDerWaalsContact O-N 3.14Å; E66-S69 PolarHBondContact O-OG 3.09Å; E66-L70 HydrophobicContact CG-CD1 3.79Å; E66-L70 HydrophobicContact CG-CG 4.48Å; E66-L70 WeakPolarHBondContact O-CG 3.34Å; E66-L70 PolarHBondContact O-N 3.47Å; E66-L70 VanDerWaalsContact O-N 3.13Å; E66-T277 WeakPolarHBondContact OE2-CB 3.16Å; E66-K278 WeakPolarHBondContact OE1-CG 3.39Å; E66-K278 PolarHBondContact OE1-N 3.21Å; E66-K278 PolarHBondContact OE2-N 3.47Å; E66-S279 PolarHBondContact OE2-N 3.11Å
67	G	96.8	Very high	95.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-55.5	-48.4	176.5	0	0	0	0	0	112.8	S63 L64 S69 L70 V71 L88 L283	S63-G67 PolarHBondContact O-N 3.15Å; L64-G67 PolarHBondContact O-N 2.78Å; G67-S69 PolarHBondContact O-N 2.88Å; G67-L70 PolarHBondContact O-N 2.9Å; G67-L70 VanDerWaalsContact O-N 3.07Å; G67-V71 WeakPolarHBondContact O-CB 3.43Å; G67-V71 PolarHBondContact O-N 3Å; G67-L88 WeakPolarHBondContact O-CD2 3.07Å; G67-L283 VanDerWaalsContact CA-CD1 3.49Å
68	L	97.1	Very high	95.6	Very high	65 Å²	65	51.9 Å²	51.9	34%	0.34	30%	0.301	S	S	.	.	H	α-helix	trans	-60.1	-35	178.6	-179	63.5	0	0	0	112.3	L64 A65 E66 V71 E294 F297	L64-L68 WeakPolarHBondContact O-CB 3.49Å; L64-L68 PolarHBondContact O-N 2.95Å; A65-L68 PolarHBondContact O-N 3.5Å; E66-L68 PolarHBondContact O-N 3.4Å; L68-V71 WeakPolarHBondContact O-CG1 3.34Å; L68-E294 HydrophobicContact CD1-CG 4.29Å; L68-F297 HydrophobicContact CB-CB 4.4Å; L68-F297 HydrophobicContact CB-CD1 4.26Å; L68-F297 HydrophobicContact CB-CD2 3.88Å; L68-F297 HydrophobicContact CB-CE2 4.22Å; L68-F297 HydrophobicContact CB-CG 3.93Å; L68-F297 HydrophobicContact CD1-CB 4.16Å; L68-F297 HydrophobicContact CD1-CD2 3.53Å; L68-F297 HydrophobicContact CD1-CE2 4.26Å; L68-F297 HydrophobicContact CD1-CG 4.07Å; L68-F297 HydrophobicContact CG-CD2 4.3Å
69	S	96.4	Very high	95.6	Very high	92 Å²	92	53.3 Å²	53.3	64%	0.643	31%	0.314	S	S	*	.	H	α-helix	trans	-75.9	-20.7	176.6	70.6	0	0	0	0	114.8	A65 E66 G67	A65-S69 PolarHBondContact O-N 2.95Å; A65-S69 VanDerWaalsContact O-N 3.12Å; E66-S69 PolarHBondContact O-N 3.27Å; E66-S69 VanDerWaalsContact O-N 3.14Å; E66-S69 PolarHBondContact O-OG 3.09Å; G67-S69 PolarHBondContact O-N 2.88Å
70	L	96.8	Very high	95.6	Very high	74 Å²	74	52 Å²	52	39%	0.387	31%	0.312	S	S	.	.	H	α-helix	trans	-104.2	-18.9	-174.8	-67.2	178.5	0	0	0	113.4	E66 G67 F275	E66-L70 HydrophobicContact CG-CD1 3.79Å; E66-L70 HydrophobicContact CG-CG 4.48Å; E66-L70 WeakPolarHBondContact O-CG 3.34Å; E66-L70 PolarHBondContact O-N 3.47Å; E66-L70 VanDerWaalsContact O-N 3.13Å; G67-L70 PolarHBondContact O-N 2.9Å; G67-L70 VanDerWaalsContact O-N 3.07Å; L70-F275 HydrophobicContact CD1-CE1 4.19Å; L70-F275 HydrophobicContact CD1-CZ 3.85Å
71	V	97.7	Very high	95.5	Very high	25 Å²	25	51.6 Å²	51.6	15%	0.152	31%	0.313	C	S	.	.			trans	-63.5	137.7	-174.2	71.4	0	0	0	0	111.4	G67 L68 L88 H90 I264 A293 F297	G67-V71 WeakPolarHBondContact O-CB 3.43Å; G67-V71 PolarHBondContact O-N 3Å; L68-V71 WeakPolarHBondContact O-CG1 3.34Å; V71-L88 CarbonylContact C-O 3.45Å; V71-L88 WeakPolarHBondContact CA-O 3.46Å; V71-L88 HydrophobicContact CB-CD2 4.14Å; V71-L88 HydrophobicContact CB-CG 4.46Å; V71-L88 HydrophobicContact CG2-CD2 4.47Å; V71-L88 HydrophobicContact CG2-CG 4.4Å; V71-H90 HydrophobicContact CG2-CB 3.6Å; V71-I264 HydrophobicContact CG2-CG2 4.07Å; V71-A293 HydrophobicContact CG1-CB 3.92Å; V71-A293 HydrophobicContact CG2-CB 4.29Å; V71-F297 HydrophobicContact CB-CE2 4.1Å; V71-F297 HydrophobicContact CG1-CE2 4Å; V71-F297 HydrophobicContact CG2-CE2 4.36Å
72	V	97.3	Very high	95.4	Very high	37 Å²	37	55.8 Å²	55.8	22%	0.224	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-126.6	137.7	172.9	175.2	0	0	0	0	109.8	P74 L88 V89 H90	V72-P74 WeakPolarHBondContact O-CD 3.35Å; V72-L88 PolarHBondContact N-O 2.93Å; V72-V89 CarbonylContact O-C 3.58Å; V72-V89 VanDerWaalsContact O-CA 3.22Å; V72-V89 WeakPolarHBondContact O-CA 3.22Å; V72-H90 PolarHBondContact O-N 3.12Å
73	S	96.5	Very high	95.4	Very high	68 Å²	68	60.2 Å²	60.2	48%	0.476	36%	0.355	S	S	.	.			trans	-92.3	114.9	170.6	-56.9	0	0	0	0	108.4	H90	S73-H90 PolarHBondContact OG-ND1 2.8Å
74	P	93.3	Very high	95.4	Very high	22 Å²	22	60.4 Å²	60.4	14%	0.143	36%	0.356	C	S	.	.			trans	-63.7	144.5	174.5	-19.7	33.3	0	0	0	111.2	V72 S76 V89 H90 I91	V72-P74 WeakPolarHBondContact O-CD 3.35Å; P74-S76 PolarHBondContact O-N 3.33Å; P74-V89 HydrophobicContact CG-CB 4.1Å; P74-V89 HydrophobicContact CG-CG1 4.15Å; P74-H90 WeakPolarHBondContact CD-O 2.95Å; P74-I91 HydrophobicContact CG-CG1 4.24Å
75	D	90.4	Very high	95.4	Very high	174 Å²	174	64.7 Å²	64.7	93%	0.93	38%	0.375	S	S	*	.	S	Bend	trans	-63.6	-26.9	179.2	-64.2	-33.9	0	0	0	113.2
76	S	92.9	Very high	95.4	Very high	46 Å²	46	63.4 Å²	63.4	32%	0.322	37%	0.368	S	S	.	.			trans	-144.7	140.9	178.5	-171.2	0	0	0	0	112	P74 H78	P74-S76 PolarHBondContact O-N 3.33Å; S76-H78 VanDerWaalsContact C-N 3.33Å; S76-H78 PolarHBondContact OG-N 2.81Å; S76-H78 VanDerWaalsContact OG-N 3.12Å
77	I	95.5	Very high	95.4	Very high	37 Å²	37	67.3 Å²	67.3	19%	0.19	38%	0.382	C	S	.	.	S	Bend	trans	-86.6	-6.5	170.3	66.6	172.1	0	0	0	112.5	I91 I187 G188 R189	I77-I91 HydrophobicContact CG2-CG2 3.82Å; I77-I187 HydrophobicContact CD1-CG2 4.17Å; I77-G188 CarbonylContact O-C 3.3Å; I77-G188 WeakPolarHBondContact O-CA 3.39Å; I77-R189 PolarHBondContact O-N 2.76Å
78	H	94.6	Very high	95.5	Very high	132 Å²	132	67.4 Å²	67.4	61%	0.611	38%	0.382	S	S	*	.	S	Bend	trans	-92.3	-2.9	-174.9	-59.7	-61.6	0	0	0	113.9	S76 R189	S76-H78 VanDerWaalsContact C-N 3.33Å; S76-H78 PolarHBondContact OG-N 2.81Å; S76-H78 VanDerWaalsContact OG-N 3.12Å; H78-R189 VanDerWaalsContact C-CG 3.4Å; H78-R189 WeakPolarHBondContact O-CG 3.45Å
79	S	93.8	Very high	95.6	Very high	66 Å²	66	64.3 Å²	64.3	46%	0.462	37%	0.366	S	S	.	.	S	Bend	trans	-139.5	142.3	174.8	54.9	0	0	0	0	110.4
80	V	94.4	Very high	95.6	Very high	52 Å²	52	60.6 Å²	60.6	32%	0.315	34%	0.338	S	S	.	.			trans	-90.7	108	173.9	179.9	0	0	0	0	108.1	P82 R189 F190 G269 D270	V80-P82 WeakPolarHBondContact O-CD 3.44Å; V80-R189 HydrophobicContact CG2-CB 3.96Å; V80-F190 HydrophobicContact CB-CE1 4.42Å; V80-F190 HydrophobicContact CG1-CE1 4.15Å; V80-F190 HydrophobicContact CG2-CD1 4.37Å; V80-F190 HydrophobicContact CG2-CE1 3.97Å; V80-F190 HydrophobicContact CG2-CZ 4.2Å; V80-G269 WeakPolarHBondContact CG1-O 3.4Å; V80-D270 HydrophobicContact CG2-CB 4.07Å
81	A	93.8	Very high	95.7	Very high	24 Å²	24	57.2 Å²	57.2	20%	0.198	32%	0.32	C	S	.	.			trans	-80.4	121.5	-178.9	0	0	0	0	0	110.5	E83 N84 Q267	A81-E83 HydrophobicContact CB-CG 3.98Å; A81-E83 PolarHBondContact O-N 3.1Å; A81-N84 PolarHBondContact O-N 2.97Å; A81-N84 VanDerWaalsContact O-N 3.13Å; A81-Q267 PolarHBondContact O-NE2 3.18Å
82	P	94.3	Very high	95.7	Very high	110 Å²	110	58.6 Å²	58.6	71%	0.714	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-62.3	-27.4	-179.1	-24.7	35.2	0	0	0	114.1	V80 N84 E85	V80-P82 WeakPolarHBondContact O-CD 3.44Å; P82-N84 PolarHBondContact O-N 2.98Å; P82-E85 VanDerWaalsContact O-CB 3.22Å; P82-E85 WeakPolarHBondContact O-CB 3.4Å; P82-E85 PolarHBondContact O-N 3.46Å; P82-E85 VanDerWaalsContact O-N 3.12Å
83	E	95.4	Very high	95.7	Very high	145 Å²	145	57 Å²	57	68%	0.678	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-64.5	-18.6	175.9	63.6	-158	-126.1	0	0	114.4	A81 R87	A81-E83 HydrophobicContact CB-CG 3.98Å; A81-E83 PolarHBondContact O-N 3.1Å; E83-R87 WeakPolarHBondContact O-CD 3.31Å
84	N	96.1	Very high	95.7	Very high	6 Å²	6	54.8 Å²	54.8	3%	0.032	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-92.9	-0	176.2	-70.7	-32	0	0	0	113.1	A81 P82 G86 R87 V89	A81-N84 PolarHBondContact O-N 2.97Å; A81-N84 VanDerWaalsContact O-N 3.13Å; P82-N84 PolarHBondContact O-N 2.98Å; N84-G86 PolarHBondContact O-N 3.37Å; N84-R87 VanDerWaalsContact O-CB 3.31Å; N84-R87 WeakPolarHBondContact O-CB 3.43Å; N84-R87 PolarHBondContact O-N 2.8Å; N84-V89 HydrophobicContact CB-CG1 3.98Å
85	E	97.3	Very high	95.9	Very high	93 Å²	93	53.7 Å²	53.7	44%	0.435	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	126.5	-180	-174.3	58.4	-155.2	0	0	111.7	P82 R87 R268 G269	P82-E85 VanDerWaalsContact O-CB 3.22Å; P82-E85 WeakPolarHBondContact O-CB 3.4Å; P82-E85 PolarHBondContact O-N 3.46Å; P82-E85 VanDerWaalsContact O-N 3.12Å; E85-R87 PolarHBondContact O-N 2.88Å; E85-R268 VanDerWaalsContact OE1-CA 3.31Å; E85-R268 WeakPolarHBondContact OE1-CA 3.43Å; E85-G269 VanDerWaalsContact CD-N 3.35Å; E85-G269 PolarHBondContact OE1-N 3.34Å; E85-G269 WeakPolarHBondContact OE2-CA 3.39Å; E85-G269 PolarHBondContact OE2-N 3.16Å
86	G	97	Very high	96.3	Very high	32 Å²	32	50.1 Å²	50.1	33%	0.33	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	-6.1	-177.3	0	0	0	0	0	115.2	N84 R266 Q267	N84-G86 PolarHBondContact O-N 3.37Å; G86-R266 WeakPolarHBondContact O-CD 3.33Å; G86-R266 WeakPolarHBondContact O-CG 3.47Å; G86-Q267 WeakPolarHBondContact CA-O 3.12Å; G86-Q267 PolarHBondContact N-O 2.78Å
87	R	97.3	Very high	96.4	Very high	114 Å²	114	49.2 Å²	49.2	43%	0.43	26%	0.262	S	S	.	.	S	Bend	trans	-80.5	156.7	177.3	-57.1	-171.9	72.2	176	5.3	111.3	E83 N84 E85 V89 R266 Q267	E83-R87 WeakPolarHBondContact O-CD 3.31Å; N84-R87 VanDerWaalsContact O-CB 3.31Å; N84-R87 WeakPolarHBondContact O-CB 3.43Å; N84-R87 PolarHBondContact O-N 2.8Å; E85-R87 PolarHBondContact O-N 2.88Å; R87-V89 PolarHBondContact O-N 2.89Å; R87-R266 WeakPolarHBondContact O-CA 3.32Å; R87-Q267 PolarHBondContact O-N 2.89Å
88	L	98	Very high	96	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	115.5	168.1	-170.2	71.2	0	0	0	108.1	G67 V71 V72 I264 F275 L283 F297	G67-L88 WeakPolarHBondContact O-CD2 3.07Å; V71-L88 CarbonylContact C-O 3.45Å; V71-L88 WeakPolarHBondContact CA-O 3.46Å; V71-L88 HydrophobicContact CB-CD2 4.14Å; V71-L88 HydrophobicContact CB-CG 4.46Å; V71-L88 HydrophobicContact CG2-CD2 4.47Å; V71-L88 HydrophobicContact CG2-CG 4.4Å; V72-L88 PolarHBondContact N-O 2.93Å; L88-I264 HydrophobicContact CD1-CG2 3.85Å; L88-I264 HydrophobicContact CD2-CG2 3.89Å; L88-I264 HydrophobicContact CG-CG2 3.74Å; L88-F275 HydrophobicContact CB-CD2 4.18Å; L88-F275 HydrophobicContact CB-CE2 4.36Å; L88-F275 HydrophobicContact CB-CG 4.4Å; L88-F275 HydrophobicContact CD1-CB 3.53Å; L88-F275 HydrophobicContact CD1-CD1 4.15Å; L88-F275 HydrophobicContact CD1-CD2 4.19Å; L88-F275 HydrophobicContact CD1-CG 3.7Å; L88-L283 HydrophobicContact CD1-CB 4.36Å; L88-L283 HydrophobicContact CD2-CD1 3.83Å; L88-F297 HydrophobicContact CD2-CZ 4.11Å
89	V	98.3	Very high	95.8	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	144.8	-178.2	-63.2	0	0	0	0	111	V72 P74 N84 R87 I91 I264 A265 Q267 L272	V72-V89 CarbonylContact O-C 3.58Å; V72-V89 VanDerWaalsContact O-CA 3.22Å; V72-V89 WeakPolarHBondContact O-CA 3.22Å; P74-V89 HydrophobicContact CG-CB 4.1Å; P74-V89 HydrophobicContact CG-CG1 4.15Å; N84-V89 HydrophobicContact CB-CG1 3.98Å; R87-V89 PolarHBondContact O-N 2.89Å; V89-I91 HydrophobicContact CB-CD1 4.4Å; V89-I91 HydrophobicContact CB-CG1 4.44Å; V89-I91 HydrophobicContact CG2-CD1 3.69Å; V89-I91 HydrophobicContact CG2-CG1 4.17Å; V89-I264 VanDerWaalsContact O-CA 3.31Å; V89-I264 WeakPolarHBondContact O-CA 3.42Å; V89-A265 WeakPolarHBondContact CG2-O 3.4Å; V89-A265 PolarHBondContact N-O 2.87Å; V89-A265 PolarHBondContact O-N 3.04Å; V89-A265 VanDerWaalsContact O-N 3.15Å; V89-Q267 HydrophobicContact CG1-CB 4.04Å; V89-Q267 HydrophobicContact CG2-CB 4.15Å; V89-L272 HydrophobicContact CG2-CD2 3.78Å
90	H	98.3	Very high	95.8	Very high	14 Å²	14	54.7 Å²	54.7	7%	0.065	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	113.8	172	164.5	-111	0	0	0	108.9	V71 V72 S73 P74 T262 V263 I264 F291 A293	V71-H90 HydrophobicContact CG2-CB 3.6Å; V72-H90 PolarHBondContact O-N 3.12Å; S73-H90 PolarHBondContact OG-ND1 2.8Å; P74-H90 WeakPolarHBondContact CD-O 2.95Å; H90-T262 VanDerWaalsContact NE2-CG2 3.27Å; H90-T262 WeakPolarHBondContact NE2-CG2 3.34Å; H90-V263 WeakPolarHBondContact CA-O 3.47Å; H90-I264 HydrophobicContact CB-CG1 4.21Å; H90-F291 PolarHBondContact CE1-O 2.99Å; H90-F291 PolarHBondContact NE2-O 2.88Å; H90-A293 HydrophobicContact CB-CB 4.18Å
91	I	97.9	Very high	95.8	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.01	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	128.6	-173.7	-69.8	169.1	0	0	0	109	P74 I77 V89 I187 F190 T262 V263 L272	P74-I91 HydrophobicContact CG-CG1 4.24Å; I77-I91 HydrophobicContact CG2-CG2 3.82Å; V89-I91 HydrophobicContact CB-CD1 4.4Å; V89-I91 HydrophobicContact CB-CG1 4.44Å; V89-I91 HydrophobicContact CG2-CD1 3.69Å; V89-I91 HydrophobicContact CG2-CG1 4.17Å; I91-I187 HydrophobicContact CG2-CB 4.29Å; I91-I187 HydrophobicContact CG2-CG2 3.73Å; I91-F190 HydrophobicContact CD1-CB 4.34Å; I91-F190 HydrophobicContact CD1-CD1 4.1Å; I91-F190 HydrophobicContact CD1-CD2 3.66Å; I91-F190 HydrophobicContact CD1-CE1 4.29Å; I91-F190 HydrophobicContact CD1-CE2 3.88Å; I91-F190 HydrophobicContact CD1-CG 3.77Å; I91-F190 HydrophobicContact CD1-CZ 4.18Å; I91-T262 CarbonylContact O-C 3.43Å; I91-T262 WeakPolarHBondContact O-CA 3.48Å; I91-V263 PolarHBondContact N-O 3.4Å; I91-V263 PolarHBondContact O-N 3.2Å; I91-L272 HydrophobicContact CD1-CD1 3.87Å; I91-L272 HydrophobicContact CD1-CD2 3.61Å; I91-L272 HydrophobicContact CD1-CG 4.35Å
92	I	97.9	Very high	95.9	Very high	55 Å²	55	54.5 Å²	54.5	28%	0.282	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	133.2	172.6	-55.2	174.2	0	0	0	107.9	M260 V261 T262 D290 F291	I92-M260 HydrophobicContact CG2-CE 3.95Å; I92-V261 WeakPolarHBondContact CA-O 3.29Å; I92-T262 HydrophobicContact CG1-CG2 4.08Å; I92-D290 HydrophobicContact CG2-CB 3.9Å; I92-F291 WeakPolarHBondContact CD1-O 3.47Å
93	G	97.1	Very high	96	Very high	3 Å²	3	49.5 Å²	49.5	3%	0.031	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.3	172.5	170.9	0	0	0	0	0	114.6	I187 V261	G93-I187 VanDerWaalsContact CA-CG2 3.45Å; G93-V261 PolarHBondContact N-O 2.97Å; G93-V261 PolarHBondContact O-N 2.98Å
94	A	97.3	Very high	95.9	Very high	21 Å²	21	47.1 Å²	47.1	17%	0.174	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	135.7	178.7	0	0	0	0	0	110.1	A258 M260	A94-A258 HydrophobicContact CB-CB 3.98Å; A94-M260 VanDerWaalsContact CA-SD 3.55Å; A94-M260 HydrophobicContact CB-SD 3.69Å; A94-M260 PolarHBondContact N-SD 3.03Å
95	L	97.5	Very high	95.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	136	170	-68.1	167.7	0	0	0	109.5	V113 V185 I187 L192 V200 S249 H259 V261	L95-V113 HydrophobicContact CB-CG2 4.24Å; L95-V113 HydrophobicContact CD1-CG2 3.97Å; L95-V113 HydrophobicContact CD2-CG2 4.4Å; L95-V113 HydrophobicContact CG-CG2 4.44Å; L95-V185 HydrophobicContact CD2-CG1 3.77Å; L95-I187 HydrophobicContact CD2-CG1 4.3Å; L95-L192 HydrophobicContact CD2-CD2 3.86Å; L95-V200 HydrophobicContact CD1-CG1 4.34Å; L95-V200 HydrophobicContact CD1-CG2 4.46Å; L95-S249 CarbonylContact O-C 3.59Å; L95-S249 WeakPolarHBondContact O-CA 3.41Å; L95-S249 VanDerWaalsContact O-O 3.13Å; L95-H259 HydrophobicContact CD1-CB 4.42Å; L95-H259 PolarHBondContact N-O 3.47Å; L95-V261 HydrophobicContact CD1-CG1 3.76Å; L95-V261 HydrophobicContact CD2-CG1 4.35Å; L95-V261 HydrophobicContact CD2-CG2 3.72Å; L95-V261 HydrophobicContact CG-CG1 3.98Å; L95-V261 HydrophobicContact CG-CG2 3.95Å
96	R	97.1	Very high	95.6	Very high	99 Å²	99	48 Å²	48	37%	0.374	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	136.1	173.9	-62.1	-62.1	-177.7	-178.7	0.4	109.3	V185 Q186 S249	R96-V185 CarbonylContact O-C 3.54Å; R96-V185 WeakPolarHBondContact O-CA 3.37Å; R96-Q186 HydrophobicContact CB-CG 3.79Å; R96-Q186 PolarHBondContact N-O 2.8Å; R96-Q186 PolarHBondContact O-N 3.37Å; R96-S249 WeakPolarHBondContact CD-O 3.3Å; R96-S249 PolarHBondContact NH1-O 2.97Å
97	T	96	Very high	95.5	Very high	26 Å²	26	48 Å²	48	16%	0.16	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	155.6	172.8	62.9	0	0	0	0	109.3	K99 V113 A182 V185 S249	T97-K99 PolarHBondContact OG1-O 2.9Å; T97-V113 HydrophobicContact CG2-CG2 4.08Å; T97-A182 HydrophobicContact CG2-CB 3.68Å; T97-V185 HydrophobicContact CG2-CG2 4.26Å; T97-S249 PolarHBondContact OG1-OG 2.85Å
98	S	87.9	Confident	95.4	Very high	84 Å²	84	42.7 Å²	42.7	59%	0.587	24%	0.24	S	C	*	.	S	Bend	trans	-82.6	-20	180	56.2	0	0	0	0	113.8
99	K	89.1	Confident	95.2	Very high	160 Å²	160	47.9 Å²	47.9	70%	0.696	26%	0.264	S	S	*	.	S	Bend	trans	-141.4	151.2	-177.3	-64.1	-174.4	-179.8	-177.5	0	110.6	T97	T97-K99 PolarHBondContact OG1-O 2.9Å
100	L	93.2	Very high	95	Very high	107 Å²	107	48 Å²	48	56%	0.56	27%	0.265	S	S	*	.			trans	-66.7	143.2	168.2	-57.6	174.9	0	0	0	109.7	P111	L100-P111 HydrophobicContact CD2-CB 3.57Å; L100-P111 HydrophobicContact CD2-CG 4.02Å
101	L	95.9	Very high	94.8	Very high	18 Å²	18	48 Å²	48	9%	0.094	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	144.2	165.1	-66.6	-176.8	0	0	0	109	H109 L110 A112 L115 A180 A182	L101-H109 WeakPolarHBondContact O-CA 3.45Å; L101-L110 PolarHBondContact N-O 3.18Å; L101-L110 PolarHBondContact O-N 3.12Å; L101-A112 WeakPolarHBondContact CD1-O 3.48Å; L101-L115 HydrophobicContact CB-CB 3.98Å; L101-L115 HydrophobicContact CB-CD2 4.29Å; L101-L115 HydrophobicContact CD1-CB 3.94Å; L101-A180 HydrophobicContact CD2-CB 4.41Å; L101-A182 HydrophobicContact CD2-CB 4.38Å
102	S	94.7	Very high	94.8	Very high	54 Å²	54	48 Å²	48	38%	0.378	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	143.1	-174.1	60.4	0	0	0	0	113.3	V108 H109	S102-V108 CarbonylContact C-O 3.57Å; S102-V108 WeakPolarHBondContact CA-O 3.33Å; S102-H109 VanDerWaalsContact CB-CE1 3.49Å; S102-H109 WeakPolarHBondContact CB-CE1 3.23Å; S102-H109 WeakPolarHBondContact CB-ND1 3.47Å
103	D	96.3	Very high	94.8	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.027	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	92.9	158	-170	-16.9	0	0	0	109	N105 Y106 G107 V108 R117 F178 F243	D103-N105 PolarHBondContact O-N 2.93Å; D103-N105 PolarHBondContact OD1-N 3.19Å; D103-Y106 PolarHBondContact O-N 2.94Å; D103-Y106 VanDerWaalsContact O-N 3.13Å; D103-Y106 WeakPolarHBondContact OD2-CD2 2.96Å; D103-G107 PolarHBondContact O-N 2.76Å; D103-V108 HydrophobicContact CB-CB 4.32Å; D103-V108 PolarHBondContact N-O 3.3Å; D103-V108 PolarHBondContact O-N 3.25Å; D103-V108 VanDerWaalsContact O-N 3.16Å; D103-R117 IonicContact OD1-NH1 3Å; D103-R117 PolarHBondContact OD1-NH1 2.84Å; D103-R117 WeakPolarHBondContact OD2-CD 3.45Å; D103-R117 IonicContact OD2-CZ 3.94Å; D103-R117 IonicContact OD2-NE 2.76Å; D103-R117 IonicContact OD2-NH1 3.82Å; D103-R117 PolarHBondContact OD2-NH1 3.36Å; D103-F178 HydrophobicContact CB-CZ 4.16Å; D103-F178 VanDerWaalsContact OD2-CE1 3.28Å; D103-F178 WeakPolarHBondContact OD2-CE1 3.25Å; D103-F243 HydrophobicContact CB-CE1 3.8Å; D103-F243 HydrophobicContact CB-CZ 4.19Å; D103-F243 WeakPolarHBondContact OD2-CE1 3.37Å; D103-F243 WeakPolarHBondContact OD2-CZ 3.42Å
104	P	93.3	Very high	94.9	Very high	94 Å²	94	46 Å²	46	61%	0.61	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-60.9	-27.4	-175.8	-24.6	34.8	0	0	0	114.1	Y106 G107	P104-Y106 PolarHBondContact O-N 2.86Å; P104-Y106 VanDerWaalsContact O-N 3.16Å; P104-G107 PolarHBondContact O-N 3.47Å
105	N	93.4	Very high	94.9	Very high	113 Å²	113	45 Å²	45	60%	0.604	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-66.2	-17.8	-179.8	-64	-17.8	0	0	0	112.4	D103 P214	D103-N105 PolarHBondContact O-N 2.93Å; D103-N105 PolarHBondContact OD1-N 3.19Å; N105-P214 WeakPolarHBondContact O-CB 3.38Å
106	Y	95.1	Very high	94.9	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.016	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-125.5	7.9	-178.4	-63.9	-86.9	0	0	0	112.8	D103 P104 V108 V175 P214 I218 F225 H227 V241 F243	D103-Y106 PolarHBondContact O-N 2.94Å; D103-Y106 VanDerWaalsContact O-N 3.13Å; D103-Y106 WeakPolarHBondContact OD2-CD2 2.96Å; P104-Y106 PolarHBondContact O-N 2.86Å; P104-Y106 VanDerWaalsContact O-N 3.16Å; Y106-V108 PolarHBondContact O-N 3.06Å; Y106-V108 VanDerWaalsContact O-N 3.15Å; Y106-V175 HydrophobicContact CE2-CG1 4.4Å; Y106-V175 WeakPolarHBondContact OH-CG1 3.32Å; Y106-P214 HydrophobicContact CD1-CG 4.24Å; Y106-I218 HydrophobicContact CE1-CD1 4.3Å; Y106-F225 HydrophobicContact CD1-CB 3.97Å; Y106-F225 AromaticContact CD1-CD2 3.42Å; Y106-F225 HydrophobicContact CD1-CD2 3.42Å; Y106-F225 VanDerWaalsContact CD1-CD2 3.42Å; Y106-F225 AromaticContact CD1-CE2 3.97Å; Y106-F225 HydrophobicContact CD1-CE2 3.97Å; Y106-F225 AromaticContact CD1-CG 3.78Å; Y106-F225 HydrophobicContact CD1-CG 3.78Å; Y106-F225 HydrophobicContact CE1-CB 3.94Å; Y106-F225 HydrophobicContact CE1-CD2 4.19Å; Y106-F225 HydrophobicContact CE1-CG 4.27Å; Y106-F225 HydrophobicContact CG-CD2 4.17Å; Y106-F225 HydrophobicContact CG-CE2 4.37Å; Y106-H227 AromaticContact CE1-NE2 3.6Å; Y106-H227 AromaticContact CZ-NE2 3.58Å; Y106-H227 PolarHBondContact OH-CE1 2.95Å; Y106-H227 PolarHBondContact OH-NE2 3.41Å; Y106-V241 HydrophobicContact CE1-CB 4.13Å; Y106-V241 HydrophobicContact CE1-CG1 4.1Å; Y106-V241 HydrophobicContact CE1-CG2 4.2Å; Y106-V241 HydrophobicContact CE2-CG1 4.39Å; Y106-F243 HydrophobicContact CD1-CE2 4.18Å; Y106-F243 HydrophobicContact CD1-CZ 4.38Å; Y106-F243 HydrophobicContact CD2-CE2 4.22Å; Y106-F243 AromaticContact CD2-CZ 3.6Å; Y106-F243 HydrophobicContact CD2-CZ 3.6Å; Y106-F243 HydrophobicContact CE2-CZ 4.35Å; Y106-F243 AromaticContact CG-CE2 3.79Å; Y106-F243 HydrophobicContact CG-CE2 3.79Å; Y106-F243 AromaticContact CG-CZ 3.6Å; Y106-F243 HydrophobicContact CG-CZ 3.6Å
107	G	93.4	Very high	95	Very high	33 Å²	33	45.7 Å²	45.7	34%	0.34	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	22.1	-177	0	0	0	0	0	114.2	D103 P104 H109 L211	D103-G107 PolarHBondContact O-N 2.76Å; P104-G107 PolarHBondContact O-N 3.47Å; G107-H109 PolarHBondContact O-CD2 3.43Å; G107-H109 VanDerWaalsContact O-CD2 3.27Å; G107-L211 WeakPolarHBondContact O-CD2 3.3Å
108	V	95.4	Very high	95.1	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.012	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	121.2	-179.1	175.1	0	0	0	0	109	S102 D103 Y106 L110 L115 L206 L211 F243	S102-V108 CarbonylContact C-O 3.57Å; S102-V108 WeakPolarHBondContact CA-O 3.33Å; D103-V108 HydrophobicContact CB-CB 4.32Å; D103-V108 PolarHBondContact N-O 3.3Å; D103-V108 PolarHBondContact O-N 3.25Å; D103-V108 VanDerWaalsContact O-N 3.16Å; Y106-V108 PolarHBondContact O-N 3.06Å; Y106-V108 VanDerWaalsContact O-N 3.15Å; V108-L110 HydrophobicContact CG1-CD2 3.99Å; V108-L115 HydrophobicContact CG1-CD1 4.13Å; V108-L115 HydrophobicContact CG1-CD2 4.04Å; V108-L206 HydrophobicContact CG1-CD2 3.54Å; V108-L206 HydrophobicContact CG2-CD2 4.46Å; V108-L211 HydrophobicContact CG2-CD1 4.02Å; V108-F243 HydrophobicContact CB-CE1 4.44Å; V108-F243 HydrophobicContact CG1-CD1 4.31Å; V108-F243 HydrophobicContact CG2-CD1 4.23Å; V108-F243 HydrophobicContact CG2-CD2 3.89Å; V108-F243 HydrophobicContact CG2-CE1 4.19Å; V108-F243 HydrophobicContact CG2-CE2 3.86Å; V108-F243 HydrophobicContact CG2-CG 4.07Å; V108-F243 HydrophobicContact CG2-CZ 4.01Å
109	H	93.8	Very high	95.6	Very high	110 Å²	110	43.6 Å²	43.6	51%	0.509	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	124	176.7	-55.8	-86.7	0	0	0	109.4	L101 S102 G107	L101-H109 WeakPolarHBondContact O-CA 3.45Å; S102-H109 VanDerWaalsContact CB-CE1 3.49Å; S102-H109 WeakPolarHBondContact CB-CE1 3.23Å; S102-H109 WeakPolarHBondContact CB-ND1 3.47Å; G107-H109 PolarHBondContact O-CD2 3.43Å; G107-H109 VanDerWaalsContact O-CD2 3.27Å
110	L	94.8	Very high	96	Very high	5 Å²	5	37.2 Å²	37.2	3%	0.026	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	153.1	177.3	75.4	158.9	0	0	0	113.7	L101 V108 A112 L115 L206 Y245 L255	L101-L110 PolarHBondContact N-O 3.18Å; L101-L110 PolarHBondContact O-N 3.12Å; V108-L110 HydrophobicContact CG1-CD2 3.99Å; L110-A112 HydrophobicContact CD1-CB 4.01Å; L110-A112 HydrophobicContact CG-CB 4.08Å; L110-A112 PolarHBondContact O-N 3.23Å; L110-L115 HydrophobicContact CD2-CB 4.5Å; L110-L115 HydrophobicContact CD2-CD1 3.84Å; L110-L115 HydrophobicContact CD2-CD2 4.02Å; L110-L115 HydrophobicContact CD2-CG 4.32Å; L110-L206 HydrophobicContact CD1-CD1 4.46Å; L110-Y245 HydrophobicContact CD1-CD1 4.02Å; L110-Y245 HydrophobicContact CD1-CD2 3.97Å; L110-Y245 HydrophobicContact CD1-CG 3.58Å; L110-L255 HydrophobicContact CD1-CD1 3.81Å
111	P	94.7	Very high	96.3	Very high	14 Å²	14	32.2 Å²	32.2	9%	0.091	17%	0.174	C	C	.	.			trans	-79.5	93.6	174.2	27.8	-26.5	0	0	0	109.5	L100 L248 S249 S250	L100-P111 HydrophobicContact CD2-CB 3.57Å; L100-P111 HydrophobicContact CD2-CG 4.02Å; P111-L248 WeakPolarHBondContact O-CD1 3.37Å; P111-S249 WeakPolarHBondContact CA-OG 3.24Å; P111-S249 VanDerWaalsContact CB-OG 3.27Å; P111-S249 WeakPolarHBondContact CB-OG 3.4Å; P111-S249 PolarHBondContact O-N 3.28Å; P111-S249 PolarHBondContact O-OG 3.29Å; P111-S249 VanDerWaalsContact O-OG 3.1Å; P111-S250 WeakPolarHBondContact CB-OG 3.34Å; P111-S250 WeakPolarHBondContact CG-OG 3.2Å
112	A	97.1	Very high	96.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	160.4	178.4	0	0	0	0	0	112.3	L101 L110 Y245 G247 S249	L101-A112 WeakPolarHBondContact CD1-O 3.48Å; L110-A112 HydrophobicContact CD1-CB 4.01Å; L110-A112 HydrophobicContact CG-CB 4.08Å; L110-A112 PolarHBondContact O-N 3.23Å; A112-Y245 HydrophobicContact CB-CD2 4.42Å; A112-G247 CarbonylContact C-O 3.47Å; A112-G247 WeakPolarHBondContact CA-O 3.42Å; A112-S249 PolarHBondContact N-OG 3.16Å
113	V	97.9	Very high	96.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	-38.8	174	174.3	0	0	0	0	111.5	L95 T97 T181 A182 V185 I197 V200 A246 G247	L95-V113 HydrophobicContact CB-CG2 4.24Å; L95-V113 HydrophobicContact CD1-CG2 3.97Å; L95-V113 HydrophobicContact CD2-CG2 4.4Å; L95-V113 HydrophobicContact CG-CG2 4.44Å; T97-V113 HydrophobicContact CG2-CG2 4.08Å; V113-T181 WeakPolarHBondContact O-CA 3.38Å; V113-A182 PolarHBondContact O-N 3.22Å; V113-V185 HydrophobicContact CB-CG2 4.41Å; V113-V185 HydrophobicContact CG1-CG2 3.82Å; V113-V185 HydrophobicContact CG2-CB 4.46Å; V113-V185 HydrophobicContact CG2-CG1 3.57Å; V113-V185 HydrophobicContact CG2-CG2 3.98Å; V113-I197 HydrophobicContact CG1-CG2 3.88Å; V113-V200 HydrophobicContact CB-CG1 4.02Å; V113-V200 HydrophobicContact CG1-CB 4.03Å; V113-V200 HydrophobicContact CG1-CG1 4.03Å; V113-V200 HydrophobicContact CG1-CG2 4.21Å; V113-A246 PolarHBondContact N-O 3.11Å; V113-A246 VanDerWaalsContact N-O 3.12Å; V113-G247 WeakPolarHBondContact CG2-O 3.38Å; V113-G247 PolarHBondContact N-O 2.83Å
114	K	98.1	Very high	96.6	Very high	17 Å²	17	32.4 Å²	32.4	7%	0.074	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.1	173.7	-60.1	-178.2	-174.3	159.7	0	111.5	T179 A180 T181 I197 D198 V200 F203 Y245 A246	K114-T179 HydrophobicContact CB-CG2 4.25Å; K114-T179 HydrophobicContact CD-CG2 4.36Å; K114-A180 CarbonylContact C-O 3.54Å; K114-A180 VanDerWaalsContact CA-O 3.28Å; K114-A180 WeakPolarHBondContact CA-O 3.35Å; K114-T181 HydrophobicContact CG-CG2 4.19Å; K114-I197 WeakPolarHBondContact CE-O 3.42Å; K114-I197 PolarHBondContact NZ-O 2.88Å; K114-D198 PolarHBondContact NZ-O 2.99Å; K114-V200 WeakPolarHBondContact CD-O 3.12Å; K114-V200 WeakPolarHBondContact CE-O 3.4Å; K114-V200 PolarHBondContact NZ-O 2.65Å; K114-F203 HydrophobicContact CB-CE1 3.93Å; K114-F203 HydrophobicContact CB-CZ 3.97Å; K114-F203 HydrophobicContact CD-CE2 4.49Å; K114-F203 HydrophobicContact CD-CZ 3.87Å; K114-Y245 CarbonylContact O-C 3.47Å; K114-Y245 VanDerWaalsContact O-CA 3.22Å; K114-Y245 WeakPolarHBondContact O-CA 3.42Å; K114-A246 HydrophobicContact CB-CB 4.27Å; K114-A246 PolarHBondContact N-O 3.29Å; K114-A246 PolarHBondContact O-N 3.36Å
115	L	98.1	Very high	96.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.3	169.8	170.9	57.3	0	0	0	108	L101 V108 L110 T179 A180 F243	L101-L115 HydrophobicContact CB-CB 3.98Å; L101-L115 HydrophobicContact CB-CD2 4.29Å; L101-L115 HydrophobicContact CD1-CB 3.94Å; V108-L115 HydrophobicContact CG1-CD1 4.13Å; V108-L115 HydrophobicContact CG1-CD2 4.04Å; L110-L115 HydrophobicContact CD2-CB 4.5Å; L110-L115 HydrophobicContact CD2-CD1 3.84Å; L110-L115 HydrophobicContact CD2-CD2 4.02Å; L110-L115 HydrophobicContact CD2-CG 4.32Å; L115-T179 CarbonylContact O-C 3.55Å; L115-T179 WeakPolarHBondContact O-CA 3.31Å; L115-A180 PolarHBondContact N-O 3.35Å; L115-A180 PolarHBondContact O-N 2.98Å; L115-F243 HydrophobicContact CD1-CB 4.49Å; L115-F243 HydrophobicContact CD1-CD1 3.9Å
116	R	98.4	Very high	96.9	Very high	89 Å²	89	25.5 Å²	25.5	34%	0.336	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.3	-179	177.2	174.7	61.3	176.6	3.3	110.4	F178 T179 F203 F243 S244	R116-F178 CarbonylContact C-O 3.58Å; R116-F178 WeakPolarHBondContact CA-O 3.35Å; R116-T179 HydrophobicContact CB-CG2 4.38Å; R116-T179 WeakPolarHBondContact CG-OG1 3.11Å; R116-F203 HydrophobicContact CB-CD1 4.11Å; R116-F203 HydrophobicContact CB-CE1 3.63Å; R116-F203 HydrophobicContact CB-CZ 4.36Å; R116-F203 VanDerWaalsContact NH2-CG 3.35Å; R116-F243 CarbonylContact O-C 3.59Å; R116-F243 WeakPolarHBondContact O-CA 3.47Å; R116-S244 PolarHBondContact N-O 3.41Å; R116-S244 PolarHBondContact NE-OG 3.5Å; R116-S244 PolarHBondContact NH2-OG 2.88Å; R116-S244 VanDerWaalsContact NH2-OG 3.1Å; R116-S244 PolarHBondContact O-N 2.86Å
117	R	98.2	Very high	96.8	Very high	24 Å²	24	28.1 Å²	28.1	9%	0.091	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	123.8	165.1	-176.3	172.1	65.4	-152.9	6.6	108.5	D103 V119 E176 S177 F178 V241 F243	D103-R117 IonicContact OD1-NH1 3Å; D103-R117 PolarHBondContact OD1-NH1 2.84Å; D103-R117 WeakPolarHBondContact OD2-CD 3.45Å; D103-R117 IonicContact OD2-CZ 3.94Å; D103-R117 IonicContact OD2-NE 2.76Å; D103-R117 IonicContact OD2-NH1 3.82Å; D103-R117 PolarHBondContact OD2-NH1 3.36Å; R117-V119 HydrophobicContact CG-CG2 4.01Å; R117-E176 VanDerWaalsContact CZ-O 3.28Å; R117-E176 PolarHBondContact NE-O 2.9Å; R117-E176 PolarHBondContact NH2-O 3.19Å; R117-S177 VanDerWaalsContact O-CA 3.27Å; R117-S177 WeakPolarHBondContact O-CA 3.21Å; R117-S177 WeakPolarHBondContact O-CB 3.39Å; R117-F178 HydrophobicContact CB-CD1 3.63Å; R117-F178 HydrophobicContact CB-CE1 3.43Å; R117-F178 VanDerWaalsContact CB-CE1 3.43Å; R117-F178 HydrophobicContact CB-CZ 4.24Å; R117-F178 HydrophobicContact CG-CD1 4.48Å; R117-F178 HydrophobicContact CG-CE1 4.27Å; R117-F178 VanDerWaalsContact CZ-CD1 3.45Å; R117-F178 PolarHBondContact N-O 3.29Å; R117-F178 PolarHBondContact O-N 3.13Å; R117-F178 VanDerWaalsContact O-N 3.1Å; R117-V241 HydrophobicContact CG-CG1 3.45Å; R117-V241 VanDerWaalsContact CG-CG1 3.45Å; R117-F243 HydrophobicContact CB-CD1 4.13Å; R117-F243 HydrophobicContact CB-CE1 3.69Å; R117-F243 HydrophobicContact CB-CZ 4.3Å; R117-F243 HydrophobicContact CG-CD1 4.48Å; R117-F243 HydrophobicContact CG-CE1 3.83Å; R117-F243 HydrophobicContact CG-CZ 3.92Å
118	H	98.3	Very high	96.8	Very high	66 Å²	66	31.4 Å²	31.4	31%	0.306	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	122.2	174.1	-172.6	54	0	0	0	109.4	V241 S242	H118-V241 WeakPolarHBondContact O-CA 3.37Å; H118-S242 PolarHBondContact N-O 3.29Å; H118-S242 PolarHBondContact O-N 3.31Å
119	V	98.3	Very high	96.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	134.6	-177.8	-174	0	0	0	0	109	R117 M173 V175 S177 L239 R240 V241	R117-V119 HydrophobicContact CG-CG2 4.01Å; V119-M173 HydrophobicContact CG1-SD 4.17Å; V119-V175 WeakPolarHBondContact CG1-O 3.48Å; V119-V175 HydrophobicContact CG2-CB 4.44Å; V119-V175 HydrophobicContact CG2-CG1 3.94Å; V119-S177 PolarHBondContact N-OG 3.39Å; V119-L239 HydrophobicContact CG1-CB 4.36Å; V119-L239 HydrophobicContact CG1-CD1 4.45Å; V119-L239 HydrophobicContact CG1-CD2 4.42Å; V119-R240 WeakPolarHBondContact CA-O 3.49Å; V119-V241 HydrophobicContact CG1-CG2 4.24Å; V119-V241 HydrophobicContact CG2-CG1 4.33Å; V119-V241 HydrophobicContact CG2-CG2 4.08Å
120	E	98.3	Very high	96.3	Very high	27 Å²	27	35 Å²	35	13%	0.126	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	143.2	171.2	-63.1	167.6	94.5	0	0	109.1	W151 R152 L239 R240	E120-W151 HydrophobicContact CB-CB 4.2Å; E120-W151 HydrophobicContact CB-CE3 4.16Å; E120-W151 WeakPolarHBondContact O-CZ3 3.37Å; E120-R152 WeakPolarHBondContact CA-O 3.05Å; E120-L239 WeakPolarHBondContact O-CA 3.44Å; E120-R240 HydrophobicContact CB-CG 4.08Å; E120-R240 PolarHBondContact N-O 3.15Å; E120-R240 PolarHBondContact O-N 3.49Å; E120-R240 IonicContact OE1-CZ 2.7Å; E120-R240 IonicContact OE1-NE 3.41Å; E120-R240 IonicContact OE1-NH2 3.8Å; E120-R240 PolarHBondContact OE1-NH2 2.93Å; E120-R240 IonicContact OE2-CZ 3.78Å; E120-R240 IonicContact OE2-NE 3.75Å; E120-R240 PolarHBondContact OE2-NE 3.38Å; E120-R240 IonicContact OE2-NH2 3.62Å; E120-R240 PolarHBondContact OE2-NH2 2.83Å
121	M	98.3	Very high	95.8	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	135	173.8	-177.3	171.3	64.3	0	0	109.6	Q123 R152 P170 M173 D238 L239	M121-Q123 HydrophobicContact CE-CB 4.14Å; M121-Q123 HydrophobicContact CE-CG 4.42Å; M121-Q123 HydrophobicContact CG-CB 4.43Å; M121-Q123 PolarHBondContact O-N 2.86Å; M121-Q123 PolarHBondContact O-NE2 3.41Å; M121-R152 PolarHBondContact N-O 3.37Å; M121-R152 PolarHBondContact O-N 3.36Å; M121-P170 HydrophobicContact SD-CB 4.06Å; M121-P170 HydrophobicContact SD-CG 3.95Å; M121-M173 HydrophobicContact CB-CE 3.63Å; M121-M173 HydrophobicContact CB-CG 4.11Å; M121-M173 HydrophobicContact CB-SD 4.01Å; M121-M173 HydrophobicContact CE-CE 4.41Å; M121-M173 HydrophobicContact CE-CG 4.4Å; M121-M173 HydrophobicContact SD-CG 4.08Å; M121-D238 CarbonylContact C-O 3.48Å; M121-D238 WeakPolarHBondContact CA-O 3.42Å; M121-L239 HydrophobicContact CB-CD2 3.6Å; M121-L239 HydrophobicContact CG-CD2 3.78Å; M121-L239 HydrophobicContact SD-CD2 4.34Å
122	Y	98.1	Very high	95.4	Very high	42 Å²	42	47.7 Å²	47.7	17%	0.165	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	118	169.6	-164.7	-115	0	0	0	108.7	T149 E150 W151 P234 E235 V236 G237 D238	Y122-T149 VanDerWaalsContact CE1-CB 3.49Å; Y122-T149 HydrophobicContact CE1-CG2 4.17Å; Y122-T149 WeakPolarHBondContact CE2-O 3.42Å; Y122-T149 VanDerWaalsContact CZ-OG1 3.26Å; Y122-T149 WeakPolarHBondContact OH-CB 3.33Å; Y122-T149 PolarHBondContact OH-O 3.5Å; Y122-T149 PolarHBondContact OH-OG1 3.47Å; Y122-E150 WeakPolarHBondContact CA-O 2.94Å; Y122-W151 AromaticContact CD2-CD1 3.82Å; Y122-W151 AromaticContact CD2-CD2 3.92Å; Y122-W151 HydrophobicContact CD2-CD2 3.92Å; Y122-W151 AromaticContact CD2-CE2 3.72Å; Y122-W151 HydrophobicContact CD2-CG 4.02Å; Y122-W151 HydrophobicContact CD2-CZ2 4.28Å; Y122-W151 AromaticContact CD2-NE1 3.63Å; Y122-W151 HydrophobicContact CG-CD2 4.43Å; Y122-W151 HydrophobicContact CG-CZ2 4.35Å; Y122-W151 VanDerWaalsContact N-CE3 3.3Å; Y122-P234 HydrophobicContact CD1-CB 3.79Å; Y122-P234 HydrophobicContact CD1-CG 4Å; Y122-P234 WeakPolarHBondContact CD1-O 3.18Å; Y122-P234 HydrophobicContact CD2-CB 4.37Å; Y122-P234 HydrophobicContact CD2-CG 4.14Å; Y122-P234 HydrophobicContact CE1-CB 4.13Å; Y122-P234 HydrophobicContact CE1-CG 3.85Å; Y122-P234 WeakPolarHBondContact CE1-O 3.27Å; Y122-P234 HydrophobicContact CE2-CG 4.03Å; Y122-P234 HydrophobicContact CG-CB 3.91Å; Y122-P234 HydrophobicContact CG-CG 4.12Å; Y122-E235 WeakPolarHBondContact CD1-O 3.1Å; Y122-V236 CarbonylContact O-C 3.56Å; Y122-V236 WeakPolarHBondContact O-CA 3.39Å; Y122-G237 PolarHBondContact O-N 3.39Å; Y122-D238 PolarHBondContact N-O 3.28Å
123	Q	97.8	Very high	94.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	162.3	-170.5	65.7	-171.8	-61	0	0	111.5	M121 T149 E150 R152 E154 I156 N169	M121-Q123 HydrophobicContact CE-CB 4.14Å; M121-Q123 HydrophobicContact CE-CG 4.42Å; M121-Q123 HydrophobicContact CG-CB 4.43Å; M121-Q123 PolarHBondContact O-N 2.86Å; M121-Q123 PolarHBondContact O-NE2 3.41Å; Q123-T149 CarbonylContact O-C 3.58Å; Q123-T149 VanDerWaalsContact O-CA 3.29Å; Q123-T149 WeakPolarHBondContact O-CA 3.29Å; Q123-E150 PolarHBondContact N-O 3.45Å; Q123-E150 PolarHBondContact O-N 2.91Å; Q123-R152 HydrophobicContact CG-CB 4.39Å; Q123-R152 PolarHBondContact NE2-O 2.85Å; Q123-E154 PolarHBondContact NE2-O 2.89Å; Q123-I156 HydrophobicContact CG-CD1 4.37Å; Q123-N169 HydrophobicContact CB-CB 4.48Å
124	W	97.8	Very high	94	Very high	39 Å²	39	55.9 Å²	55.9	15%	0.148	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	139.7	174.5	-67.8	102.8	0	0	0	111.6	N148 T149 F161 H167 N169 V236	W124-N148 CarbonylContact C-O 3.49Å; W124-T149 HydrophobicContact CD2-CG2 3.51Å; W124-T149 HydrophobicContact CE3-CG2 3.6Å; W124-T149 HydrophobicContact CG-CG2 4.09Å; W124-T149 HydrophobicContact CH2-CG2 3.96Å; W124-T149 HydrophobicContact CZ2-CG2 3.88Å; W124-T149 HydrophobicContact CZ3-CG2 3.83Å; W124-F161 HydrophobicContact CB-CE2 3.76Å; W124-F161 HydrophobicContact CB-CZ 4.27Å; W124-F161 WeakPolarHBondContact O-CZ 3.35Å; W124-H167 HydrophobicContact CB-CB 4.2Å; W124-H167 VanDerWaalsContact CD1-CA 3.44Å; W124-H167 HydrophobicContact CD2-CB 4.07Å; W124-H167 AromaticContact CD2-CD2 3.69Å; W124-H167 AromaticContact CE2-CD2 3.85Å; W124-H167 AromaticContact CE3-CD2 3.61Å; W124-H167 HydrophobicContact CG-CB 3.86Å; W124-H167 AromaticContact CH2-CD2 3.9Å; W124-H167 AromaticContact CZ2-CD2 3.97Å; W124-H167 AromaticContact CZ3-CD2 3.72Å; W124-N169 VanDerWaalsContact CB-OD1 3.29Å; W124-N169 WeakPolarHBondContact CB-OD1 3.2Å; W124-N169 PolarHBondContact N-OD1 3.16Å; W124-N169 PolarHBondContact O-ND2 3.15Å; W124-V236 HydrophobicContact CG-CG2 4.48Å
125	V	96.9	Very high	93.1	Very high	13 Å²	13	58.9 Å²	58.9	8%	0.079	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	128.5	172	-174.7	0	0	0	0	107.7	Y147 N148 E150 R152 I156	V125-Y147 WeakPolarHBondContact O-CA 3.38Å; V125-N148 PolarHBondContact N-O 3.19Å; V125-N148 PolarHBondContact O-N 3.15Å; V125-N148 VanDerWaalsContact O-N 3.09Å; V125-E150 HydrophobicContact CG2-CB 3.84Å; V125-E150 HydrophobicContact CG2-CG 4.09Å; V125-R152 HydrophobicContact CG2-CG 3.98Å; V125-I156 HydrophobicContact CB-CD1 4.42Å; V125-I156 HydrophobicContact CG1-CD1 4.45Å; V125-I156 HydrophobicContact CG2-CD1 3.72Å
126	E	95.8	Very high	92.1	Very high	49 Å²	49	65.9 Å²	65.9	23%	0.229	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.7	171.1	-178.7	179.9	79.1	0	0	109.3	Y145 S146 Y147 F161 D162	E126-Y145 HydrophobicContact CG-CD1 3.91Å; E126-S146 CarbonylContact C-O 3.22Å; E126-S146 WeakPolarHBondContact CA-O 3.16Å; E126-Y147 HydrophobicContact CB-CD1 4.04Å; E126-Y147 HydrophobicContact CB-CE1 3.76Å; E126-Y147 HydrophobicContact CG-CD1 4.23Å; E126-Y147 HydrophobicContact CG-CE1 3.59Å; E126-Y147 WeakPolarHBondContact OE2-CE1 3.46Å; E126-Y147 PolarHBondContact OE2-OH 3.46Å; E126-F161 HydrophobicContact CB-CD1 3.65Å; E126-F161 HydrophobicContact CB-CE1 3.82Å; E126-F161 HydrophobicContact CB-CG 4.13Å; E126-F161 HydrophobicContact CB-CZ 4.4Å; E126-F161 WeakPolarHBondContact OE2-CA 3.12Å; E126-F161 WeakPolarHBondContact OE2-CB 3.48Å; E126-D162 PolarHBondContact OE2-N 2.78Å
127	T	93.8	Very high	90.9	Very high	60 Å²	60	63.9 Å²	63.9	37%	0.368	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	130.3	171.3	-57.6	0	0	0	0	109.4	S146	T127-S146 WeakPolarHBondContact CB-OG 3.28Å; T127-S146 PolarHBondContact N-O 3.44Å; T127-S146 PolarHBondContact O-N 3.47Å; T127-S146 PolarHBondContact O-OG 3.4Å
128	E	92.9	Very high	89.9	Confident	102 Å²	102	67.3 Å²	67.3	48%	0.477	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	128.3	179.9	-170.2	-168.1	147	0	0	111.2	S130 T143 Y145	E128-S130 PolarHBondContact OE1-OG 2.92Å; E128-T143 HydrophobicContact CG-CG2 3.24Å; E128-T143 VanDerWaalsContact OE1-CG2 3.26Å; E128-T143 WeakPolarHBondContact OE1-CG2 3.39Å; E128-Y145 HydrophobicContact CB-CD1 4.42Å; E128-Y145 HydrophobicContact CB-CE1 4.26Å; E128-Y145 HydrophobicContact CG-CD1 4.32Å; E128-Y145 HydrophobicContact CG-CE1 3.87Å
129	E	90	Very high	89	Confident	127 Å²	127	66.1 Å²	66.1	59%	0.593	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	118.4	168.3	-67.5	-175.3	171.6	0	0	110.1	T143 R144	E129-T143 CarbonylContact O-C 3.57Å; E129-T143 WeakPolarHBondContact O-CA 3.32Å; E129-R144 HydrophobicContact CB-CB 4.46Å; E129-R144 PolarHBondContact N-O 2.88Å; E129-R144 PolarHBondContact O-N 3.45Å
130	S	88.1	Confident	88.4	Confident	59 Å²	59	67.9 Å²	67.9	41%	0.413	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	132.7	-178.4	-84	0	0	0	0	111.2	E128 K141 T143	E128-S130 PolarHBondContact OE1-OG 2.92Å; S130-K141 VanDerWaalsContact OG-CE 3.23Å; S130-K141 WeakPolarHBondContact OG-CE 3.34Å; S130-T143 WeakPolarHBondContact OG-CG2 3.42Å; S130-T143 PolarHBondContact OG-OG1 3.26Å
131	R	85.8	Confident	87.8	Confident	146 Å²	146	70.2 Å²	70.2	55%	0.551	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	139.8	170.6	68.5	-179.1	-176.4	-174.5	-0.9	111.1	E142	R131-E142 HydrophobicContact CG-CB 3.89Å; R131-E142 HydrophobicContact CG-CG 4.48Å; R131-E142 IonicContact CZ-OE1 2.68Å; R131-E142 IonicContact CZ-OE2 2.8Å; R131-E142 PolarHBondContact N-O 2.91Å; R131-E142 IonicContact NE-OE1 3.14Å; R131-E142 IonicContact NE-OE2 2.69Å; R131-E142 PolarHBondContact NE-OE2 3.24Å; R131-E142 IonicContact NH2-OE1 3.51Å; R131-E142 PolarHBondContact NH2-OE1 3.41Å; R131-E142 IonicContact NH2-OE2 2.71Å; R131-E142 PolarHBondContact NH2-OE2 3.08Å; R131-E142 PolarHBondContact O-N 3.36Å
132	E	86.2	Confident	87.4	Confident	141 Å²	141	71 Å²	71	66%	0.659	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.4	177.1	-68.7	-179.4	-177	0	0	110.2	K140 K141	E132-K140 WeakPolarHBondContact CA-O 3.47Å; E132-K141 HydrophobicContact CG-CB 4.16Å; E132-K141 HydrophobicContact CG-CG 4.09Å
133	Y	82.2	Confident	87	Confident	78 Å²	78	69.3 Å²	69.3	31%	0.306	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	159.4	175.1	65.1	-87.4	0	0	0	111	E135 K140 E142	Y133-E135 HydrophobicContact CD2-CB 4.21Å; Y133-E135 HydrophobicContact CE2-CB 4.02Å; Y133-K140 HydrophobicContact CD2-CB 4.44Å; Y133-K140 HydrophobicContact CE1-CB 4.19Å; Y133-K140 HydrophobicContact CE2-CB 4.01Å; Y133-K140 HydrophobicContact CE2-CD 4.02Å; Y133-K140 PolarHBondContact N-O 2.95Å; Y133-K140 PolarHBondContact O-N 2.76Å; Y133-E142 HydrophobicContact CE1-CB 3.95Å
134	T	81.9	Confident	86.7	Confident	93 Å²	93	73.5 Å²	73.5	57%	0.571	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	128.9	178.3	-56.3	0	0	0	0	109.5	Q138	T134-Q138 WeakPolarHBondContact CA-O 3.34Å
135	E	79.9	Confident	86.5	Confident	81 Å²	81	72.8 Å²	72.8	38%	0.379	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	130.9	177.4	-169.2	175.5	-152.6	0	0	108.1	Y133 G137 Q138 K140	Y133-E135 HydrophobicContact CD2-CB 4.21Å; Y133-E135 HydrophobicContact CE2-CB 4.02Å; E135-G137 PolarHBondContact O-N 3.28Å; E135-G137 VanDerWaalsContact O-N 3.14Å; E135-Q138 PolarHBondContact N-O 3.36Å; E135-Q138 VanDerWaalsContact N-O 3.1Å; E135-Q138 PolarHBondContact O-N 3.15Å; E135-K140 HydrophobicContact CB-CD 4.24Å; E135-K140 WeakPolarHBondContact OE2-CD 3.36Å; E135-K140 WeakPolarHBondContact OE2-CE 3.46Å; E135-K140 IonicContact OE2-NZ 3.88Å; E135-K140 PolarHBondContact OE2-NZ 3.49Å
136	D	76.7	Confident	86.3	Confident	146 Å²	146	73.1 Å²	73.1	78%	0.781	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	34.4	-179.7	-55.8	-34	0	0	0	115.1	Q138	D136-Q138 PolarHBondContact O-N 3.37Å
137	G	73.3	Confident	86.3	Confident	47 Å²	47	70.8 Å²	70.8	49%	0.485	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	5.3	-179.4	0	0	0	0	0	114.8	Q22 E135	Q22-G137 WeakPolarHBondContact CG-O 3.46Å; E135-G137 PolarHBondContact O-N 3.28Å; E135-G137 VanDerWaalsContact O-N 3.14Å
138	Q	77	Confident	86.4	Confident	96 Å²	96	71.4 Å²	71.4	45%	0.449	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	145.5	173.5	-64.4	-179.3	-22.3	0	0	110.7	T19 T134 E135 D136	T19-Q138 HydrophobicContact CG2-CB 3.87Å; T19-Q138 HydrophobicContact CG2-CG 4.34Å; T134-Q138 WeakPolarHBondContact CA-O 3.34Å; E135-Q138 PolarHBondContact N-O 3.36Å; E135-Q138 VanDerWaalsContact N-O 3.1Å; E135-Q138 PolarHBondContact O-N 3.15Å; D136-Q138 PolarHBondContact O-N 3.37Å
139	V	80.9	Confident	86.5	Confident	41 Å²	41	68.6 Å²	68.6	25%	0.248	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	117.6	173.1	-177.8	0	0	0	0	107.4	G20 Q22	G20-V139 PolarHBondContact N-O 2.75Å; G20-V139 PolarHBondContact O-N 2.95Å; G20-V139 VanDerWaalsContact O-N 3.13Å; Q22-V139 HydrophobicContact CG-CG2 3.82Å
140	K	84.1	Confident	86.9	Confident	37 Å²	37	65.6 Å²	65.6	16%	0.161	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.2	174.9	-66.3	-175.6	-174.2	175	0	108.7	V17 T19 E132 Y133 E135	V17-K140 HydrophobicContact CG1-CB 4.31Å; V17-K140 HydrophobicContact CG1-CD 4.37Å; T19-K140 HydrophobicContact CG2-CG 4.27Å; E132-K140 WeakPolarHBondContact CA-O 3.47Å; Y133-K140 HydrophobicContact CD2-CB 4.44Å; Y133-K140 HydrophobicContact CE1-CB 4.19Å; Y133-K140 HydrophobicContact CE2-CB 4.01Å; Y133-K140 HydrophobicContact CE2-CD 4.02Å; Y133-K140 PolarHBondContact N-O 2.95Å; Y133-K140 PolarHBondContact O-N 2.76Å; E135-K140 HydrophobicContact CB-CD 4.24Å; E135-K140 WeakPolarHBondContact OE2-CD 3.36Å; E135-K140 WeakPolarHBondContact OE2-CE 3.46Å; E135-K140 IonicContact OE2-NZ 3.88Å; E135-K140 PolarHBondContact OE2-NZ 3.49Å
141	K	86.5	Confident	87.3	Confident	76 Å²	76	64.8 Å²	64.8	33%	0.33	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.6	168	-179.3	178.7	178.2	-176.3	0	107.7	V17 T18 S130 E132	V17-K141 WeakPolarHBondContact CA-O 3.45Å; T18-K141 PolarHBondContact N-O 2.87Å; T18-K141 PolarHBondContact O-N 3.2Å; T18-K141 PolarHBondContact OG1-O 2.84Å; S130-K141 VanDerWaalsContact OG-CE 3.23Å; S130-K141 WeakPolarHBondContact OG-CE 3.34Å; E132-K141 HydrophobicContact CG-CB 4.16Å; E132-K141 HydrophobicContact CG-CG 4.09Å
142	E	89.6	Confident	87.9	Confident	18 Å²	18	62.7 Å²	62.7	8%	0.084	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	116.3	175.2	-178.2	-176.7	159.1	0	0	108.7	V15 V17 R131 Y133	V15-E142 HydrophobicContact CG1-CG 3.22Å; V15-E142 WeakPolarHBondContact CG1-OE1 3.28Å; V17-E142 HydrophobicContact CG2-CB 4.41Å; V17-E142 HydrophobicContact CG2-CG 4.14Å; R131-E142 HydrophobicContact CG-CB 3.89Å; R131-E142 HydrophobicContact CG-CG 4.48Å; R131-E142 IonicContact CZ-OE1 2.68Å; R131-E142 IonicContact CZ-OE2 2.8Å; R131-E142 PolarHBondContact N-O 2.91Å; R131-E142 IonicContact NE-OE1 3.14Å; R131-E142 IonicContact NE-OE2 2.69Å; R131-E142 PolarHBondContact NE-OE2 3.24Å; R131-E142 IonicContact NH2-OE1 3.51Å; R131-E142 PolarHBondContact NH2-OE1 3.41Å; R131-E142 IonicContact NH2-OE2 2.71Å; R131-E142 PolarHBondContact NH2-OE2 3.08Å; R131-E142 PolarHBondContact O-N 3.36Å; Y133-E142 HydrophobicContact CE1-CB 3.95Å
143	T	90.3	Very high	88.4	Confident	7 Å²	7	58.4 Å²	58.4	4%	0.043	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.8	177.7	-58.9	0	0	0	0	108.9	V15 K16 E128 E129 S130 Y145	V15-T143 WeakPolarHBondContact CA-O 3.16Å; K16-T143 PolarHBondContact N-O 3.26Å; K16-T143 PolarHBondContact O-N 2.92Å; E128-T143 HydrophobicContact CG-CG2 3.24Å; E128-T143 VanDerWaalsContact OE1-CG2 3.26Å; E128-T143 WeakPolarHBondContact OE1-CG2 3.39Å; E129-T143 CarbonylContact O-C 3.57Å; E129-T143 WeakPolarHBondContact O-CA 3.32Å; S130-T143 WeakPolarHBondContact OG-CG2 3.42Å; S130-T143 PolarHBondContact OG-OG1 3.26Å; T143-Y145 HydrophobicContact CG2-CD2 4.12Å; T143-Y145 HydrophobicContact CG2-CE1 4.1Å; T143-Y145 HydrophobicContact CG2-CE2 3.48Å; T143-Y145 VanDerWaalsContact CG2-CE2 3.48Å; T143-Y145 VanDerWaalsContact CG2-CZ 3.47Å
144	R	91.4	Very high	89	Confident	88 Å²	88	61.4 Å²	61.4	33%	0.332	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125	172.6	178.7	-179.4	-62	-85.6	-11.3	108.8	E13 V15 E129	E13-R144 IonicContact OE2-NH1 3.49Å; E13-R144 PolarHBondContact OE2-NH1 2.94Å; V15-R144 HydrophobicContact CG2-CB 4.33Å; V15-R144 HydrophobicContact CG2-CG 4.38Å; E129-R144 HydrophobicContact CB-CB 4.46Å; E129-R144 PolarHBondContact N-O 2.88Å; E129-R144 PolarHBondContact O-N 3.45Å
145	Y	92.7	Very high	89.6	Confident	24 Å²	24	61 Å²	61	9%	0.094	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	134.7	171.2	-64.5	-85.1	0	0	0	108.8	E13 H14 K16 E126 E128 T143 D162	E13-Y145 WeakPolarHBondContact CA-O 3.45Å; H14-Y145 AromaticContact CD2-CD2 3.99Å; H14-Y145 PolarHBondContact N-O 2.97Å; H14-Y145 AromaticContact NE2-CD2 3.46Å; H14-Y145 WeakPolarHBondContact NE2-CD2 3.43Å; H14-Y145 AromaticContact NE2-CG 3.92Å; H14-Y145 PolarHBondContact O-N 3.39Å; K16-Y145 HydrophobicContact CB-CE2 4.02Å; K16-Y145 HydrophobicContact CD-CE2 4.2Å; E126-Y145 HydrophobicContact CG-CD1 3.91Å; E128-Y145 HydrophobicContact CB-CD1 4.42Å; E128-Y145 HydrophobicContact CB-CE1 4.26Å; E128-Y145 HydrophobicContact CG-CD1 4.32Å; E128-Y145 HydrophobicContact CG-CE1 3.87Å; T143-Y145 HydrophobicContact CG2-CD2 4.12Å; T143-Y145 HydrophobicContact CG2-CE1 4.1Å; T143-Y145 HydrophobicContact CG2-CE2 3.48Å; T143-Y145 VanDerWaalsContact CG2-CE2 3.48Å; T143-Y145 VanDerWaalsContact CG2-CZ 3.47Å; Y145-D162 HydrophobicContact CD1-CB 3.91Å; Y145-D162 HydrophobicContact CD2-CB 4.11Å; Y145-D162 HydrophobicContact CE1-CB 3.73Å; Y145-D162 HydrophobicContact CE2-CB 3.93Å; Y145-D162 HydrophobicContact CG-CB 4.09Å
146	S	93.4	Very high	90.4	Very high	20 Å²	20	59 Å²	59	14%	0.14	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	141.7	172.8	62.5	0	0	0	0	110.7	R12 E126 T127	R12-S146 CarbonylContact O-C 3.6Å; R12-S146 WeakPolarHBondContact O-CA 3.43Å; E126-S146 CarbonylContact C-O 3.22Å; E126-S146 WeakPolarHBondContact CA-O 3.16Å; T127-S146 WeakPolarHBondContact CB-OG 3.28Å; T127-S146 PolarHBondContact N-O 3.44Å; T127-S146 PolarHBondContact O-N 3.47Å; T127-S146 PolarHBondContact O-OG 3.4Å
147	Y	95.3	Very high	91.4	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	115.5	-174.6	-59.1	-83	0	0	0	109.7	R12 H14 V125 E126 F161 R163 H167	R12-Y147 PolarHBondContact O-N 2.89Å; H14-Y147 AromaticContact CE1-CE2 3.65Å; H14-Y147 AromaticContact CE1-CZ 3.85Å; H14-Y147 PolarHBondContact CE1-OH 3.2Å; H14-Y147 AromaticContact ND1-CE2 3.58Å; V125-Y147 WeakPolarHBondContact O-CA 3.38Å; E126-Y147 HydrophobicContact CB-CD1 4.04Å; E126-Y147 HydrophobicContact CB-CE1 3.76Å; E126-Y147 HydrophobicContact CG-CD1 4.23Å; E126-Y147 HydrophobicContact CG-CE1 3.59Å; E126-Y147 WeakPolarHBondContact OE2-CE1 3.46Å; E126-Y147 PolarHBondContact OE2-OH 3.46Å; Y147-F161 HydrophobicContact CD1-CD2 4.38Å; Y147-F161 HydrophobicContact CE1-CB 4.12Å; Y147-F161 HydrophobicContact CE1-CD2 4.19Å; Y147-F161 HydrophobicContact CE1-CG 4.22Å; Y147-R163 HydrophobicContact CE2-CB 4.28Å; Y147-R163 PolarHBondContact OH-N 3.4Å; Y147-H167 HydrophobicContact CD1-CB 4.22Å; Y147-H167 AromaticContact CD1-CG 3.77Å; Y147-H167 AromaticContact CD1-ND1 3.67Å; Y147-H167 AromaticContact CD2-CE1 3.48Å; Y147-H167 VanDerWaalsContact CD2-CE1 3.48Å; Y147-H167 WeakPolarHBondContact CD2-CE1 3.19Å; Y147-H167 AromaticContact CD2-ND1 3.93Å; Y147-H167 AromaticContact CD2-NE2 3.92Å; Y147-H167 AromaticContact CE1-ND1 3.99Å; Y147-H167 AromaticContact CG-CD2 3.86Å; Y147-H167 AromaticContact CG-CE1 3.49Å; Y147-H167 VanDerWaalsContact CG-CE1 3.49Å; Y147-H167 AromaticContact CG-CG 3.86Å; Y147-H167 AromaticContact CG-ND1 3.65Å; Y147-H167 AromaticContact CG-NE2 3.66Å
148	N	95.6	Very high	92.4	Very high	73 Å²	73	54 Å²	54	39%	0.39	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.1	177.8	-65.6	-54.4	0	0	0	110.1	W124 V125	W124-N148 CarbonylContact C-O 3.49Å; V125-N148 PolarHBondContact N-O 3.19Å; V125-N148 PolarHBondContact O-N 3.15Å; V125-N148 VanDerWaalsContact O-N 3.09Å
149	T	96.1	Very high	93.3	Very high	42 Å²	42	56.7 Å²	56.7	26%	0.258	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	125.8	174.5	43.5	0	0	0	0	110.4	Y122 Q123 W124 V236	Y122-T149 VanDerWaalsContact CE1-CB 3.49Å; Y122-T149 HydrophobicContact CE1-CG2 4.17Å; Y122-T149 WeakPolarHBondContact CE2-O 3.42Å; Y122-T149 VanDerWaalsContact CZ-OG1 3.26Å; Y122-T149 WeakPolarHBondContact OH-CB 3.33Å; Y122-T149 PolarHBondContact OH-O 3.5Å; Y122-T149 PolarHBondContact OH-OG1 3.47Å; Q123-T149 CarbonylContact O-C 3.58Å; Q123-T149 VanDerWaalsContact O-CA 3.29Å; Q123-T149 WeakPolarHBondContact O-CA 3.29Å; W124-T149 HydrophobicContact CD2-CG2 3.51Å; W124-T149 HydrophobicContact CE3-CG2 3.6Å; W124-T149 HydrophobicContact CG-CG2 4.09Å; W124-T149 HydrophobicContact CH2-CG2 3.96Å; W124-T149 HydrophobicContact CZ2-CG2 3.88Å; W124-T149 HydrophobicContact CZ3-CG2 3.83Å; T149-V236 HydrophobicContact CG2-CG2 3.68Å
150	E	97.1	Very high	94	Very high	64 Å²	64	60.8 Å²	60.8	30%	0.299	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	157.3	-176.1	-60.8	179.7	-173.8	0	0	110.9	Y122 Q123 V125 R152	Y122-E150 WeakPolarHBondContact CA-O 2.94Å; Q123-E150 PolarHBondContact N-O 3.45Å; Q123-E150 PolarHBondContact O-N 2.91Å; V125-E150 HydrophobicContact CG2-CB 3.84Å; V125-E150 HydrophobicContact CG2-CG 4.09Å; E150-R152 HydrophobicContact CB-CG 4.43Å; E150-R152 IonicContact OE2-CZ 3.16Å; E150-R152 VanDerWaalsContact OE2-CZ 3.25Å; E150-R152 IonicContact OE2-NE 2.82Å; E150-R152 PolarHBondContact OE2-NE 2.83Å; E150-R152 IonicContact OE2-NH2 2.69Å; E150-R152 PolarHBondContact OE2-NH2 3.37Å
151	W	97.5	Very high	94.5	Very high	43 Å²	43	60 Å²	60	16%	0.163	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.1	167.9	-67.3	98.6	0	0	0	109.2	E120 Y122 Y226 P234 D238 R240	E120-W151 HydrophobicContact CB-CB 4.2Å; E120-W151 HydrophobicContact CB-CE3 4.16Å; E120-W151 WeakPolarHBondContact O-CZ3 3.37Å; Y122-W151 AromaticContact CD2-CD1 3.82Å; Y122-W151 AromaticContact CD2-CD2 3.92Å; Y122-W151 HydrophobicContact CD2-CD2 3.92Å; Y122-W151 AromaticContact CD2-CE2 3.72Å; Y122-W151 HydrophobicContact CD2-CG 4.02Å; Y122-W151 HydrophobicContact CD2-CZ2 4.28Å; Y122-W151 AromaticContact CD2-NE1 3.63Å; Y122-W151 HydrophobicContact CG-CD2 4.43Å; Y122-W151 HydrophobicContact CG-CZ2 4.35Å; Y122-W151 VanDerWaalsContact N-CE3 3.3Å; W151-Y226 HydrophobicContact CH2-CD1 4.13Å; W151-Y226 HydrophobicContact CH2-CE1 4.2Å; W151-Y226 HydrophobicContact CZ2-CD1 4.26Å; W151-Y226 AromaticContact CZ2-CE1 3.94Å; W151-Y226 HydrophobicContact CZ2-CE1 3.94Å; W151-P234 HydrophobicContact CH2-CB 4.29Å; W151-P234 HydrophobicContact CZ2-CB 3.69Å; W151-P234 HydrophobicContact CZ2-CG 4.14Å; W151-D238 HydrophobicContact CH2-CB 4.05Å; W151-D238 VanDerWaalsContact CZ3-O 3.24Å; W151-D238 WeakPolarHBondContact CZ3-O 3.35Å; W151-R240 VanDerWaalsContact CB-CZ 3.45Å; W151-R240 VanDerWaalsContact CD1-NH1 3.25Å; W151-R240 HydrophobicContact CD2-CG 3.94Å; W151-R240 HydrophobicContact CE3-CB 4.1Å; W151-R240 HydrophobicContact CE3-CG 3.52Å; W151-R240 HydrophobicContact CH2-CB 3.86Å; W151-R240 HydrophobicContact CH2-CG 4.2Å; W151-R240 HydrophobicContact CZ2-CB 4.4Å; W151-R240 HydrophobicContact CZ3-CB 3.7Å; W151-R240 HydrophobicContact CZ3-CG 3.68Å; W151-R240 VanDerWaalsContact CZ3-N 3.25Å
152	R	97.8	Very high	94.9	Very high	101 Å²	101	59.3 Å²	59.3	38%	0.381	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	138.5	178.4	-65	-68.4	-175.3	149.9	-0.4	110.3	E120 M121 Q123 V125 E150 E154 I156	E120-R152 WeakPolarHBondContact CA-O 3.05Å; M121-R152 PolarHBondContact N-O 3.37Å; M121-R152 PolarHBondContact O-N 3.36Å; Q123-R152 HydrophobicContact CG-CB 4.39Å; Q123-R152 PolarHBondContact NE2-O 2.85Å; V125-R152 HydrophobicContact CG2-CG 3.98Å; E150-R152 HydrophobicContact CB-CG 4.43Å; E150-R152 IonicContact OE2-CZ 3.16Å; E150-R152 VanDerWaalsContact OE2-CZ 3.25Å; E150-R152 IonicContact OE2-NE 2.82Å; E150-R152 PolarHBondContact OE2-NE 2.83Å; E150-R152 IonicContact OE2-NH2 2.69Å; E150-R152 PolarHBondContact OE2-NH2 3.37Å; R152-E154 VanDerWaalsContact C-N 3.3Å; R152-I156 HydrophobicContact CB-CD1 4.37Å; R152-I156 HydrophobicContact CG-CD1 3.99Å
153	S	96.6	Very high	95	Very high	52 Å²	52	62.9 Å²	62.9	36%	0.364	30%	0.302	S	S	.	.	S	Bend	trans	-75.8	-19.6	177.5	51.9	0	0	0	0	113.6	M173	S153-M173 WeakPolarHBondContact O-CE 3.14Å
154	E	95.5	Very high	95	Very high	140 Å²	140	65.7 Å²	65.7	65%	0.654	32%	0.315	S	S	*	.	S	Bend	trans	-99.3	150.3	179.1	-65.2	145.7	-157.4	0	0	110.3	Q123 R152 I156	Q123-E154 PolarHBondContact NE2-O 2.89Å; R152-E154 VanDerWaalsContact C-N 3.3Å; E154-I156 PolarHBondContact O-N 3.43Å
155	I	95.3	Very high	95	Very high	86 Å²	86	68.1 Å²	68.1	44%	0.441	33%	0.333	S	S	.	.			trans	-80.3	120.2	173.1	-63.2	161.3	0	0	0	108.6	M173	I155-M173 HydrophobicContact CD1-CG 4.44Å; I155-M173 HydrophobicContact CG1-CE 3.97Å; I155-M173 HydrophobicContact CG1-CG 4.04Å
156	I	96.6	Very high	94.9	Very high	38 Å²	38	68.8 Å²	68.8	20%	0.195	35%	0.347	C	S	.	.			trans	-94.7	112.8	176.5	-61.1	173.7	0	0	0	109	Q123 V125 R152 E154 S158 F161 N169	Q123-I156 HydrophobicContact CG-CD1 4.37Å; V125-I156 HydrophobicContact CB-CD1 4.42Å; V125-I156 HydrophobicContact CG1-CD1 4.45Å; V125-I156 HydrophobicContact CG2-CD1 3.72Å; R152-I156 HydrophobicContact CB-CD1 4.37Å; R152-I156 HydrophobicContact CG-CD1 3.99Å; E154-I156 PolarHBondContact O-N 3.43Å; I156-S158 PolarHBondContact O-N 3.01Å; I156-F161 HydrophobicContact CG2-CE1 3.51Å; I156-F161 HydrophobicContact CG2-CZ 3.57Å; I156-N169 WeakPolarHBondContact O-CB 3.18Å; I156-N169 PolarHBondContact O-ND2 3.37Å; I156-N169 VanDerWaalsContact O-ND2 3.11Å
157	N	96.3	Very high	95	Very high	82 Å²	82	67.9 Å²	67.9	44%	0.439	34%	0.341	S	S	.	.			trans	-72.7	96.4	176.4	-176.6	7.3	0	0	0	110.9	K159 N160	N157-K159 PolarHBondContact O-N 2.95Å; N157-K159 VanDerWaalsContact OD1-CB 3.29Å; N157-K159 WeakPolarHBondContact OD1-CB 3.47Å; N157-K159 WeakPolarHBondContact OD1-CG 3.45Å; N157-K159 PolarHBondContact OD1-N 3.34Å; N157-N160 PolarHBondContact O-N 2.84Å; N157-N160 VanDerWaalsContact O-N 3.08Å
158	S	96	Very high	95	Very high	5 Å²	5	74.4 Å²	74.4	4%	0.035	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-62.6	-13.1	-179.6	60.7	0	0	0	0	114.6	I156 N160 F161 H167 N169	I156-S158 PolarHBondContact O-N 3.01Å; S158-N160 PolarHBondContact O-N 3.48Å; S158-F161 VanDerWaalsContact CB-CE2 3.46Å; S158-F161 VanDerWaalsContact O-CB 3.31Å; S158-F161 WeakPolarHBondContact O-CB 3.27Å; S158-F161 WeakPolarHBondContact O-CG 3.29Å; S158-F161 PolarHBondContact O-N 2.92Å; S158-F161 VanDerWaalsContact O-N 3.11Å; S158-H167 WeakPolarHBondContact CB-O 3.36Å; S158-N169 PolarHBondContact OG-N 3.27Å
159	K	95.2	Very high	95.1	Very high	153 Å²	153	71.9 Å²	71.9	67%	0.665	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-64.2	-19.4	172.6	-62.8	-179.7	178.4	178.5	0	112.8	N157 F161	N157-K159 PolarHBondContact O-N 2.95Å; N157-K159 VanDerWaalsContact OD1-CB 3.29Å; N157-K159 WeakPolarHBondContact OD1-CB 3.47Å; N157-K159 WeakPolarHBondContact OD1-CG 3.45Å; N157-K159 PolarHBondContact OD1-N 3.34Å; K159-F161 VanDerWaalsContact C-N 3.35Å
160	N	94.4	Very high	95.1	Very high	128 Å²	128	72 Å²	72	68%	0.684	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-88.7	-3.4	177.5	-65	-12.1	0	0	0	112.8	N157 S158	N157-N160 PolarHBondContact O-N 2.84Å; N157-N160 VanDerWaalsContact O-N 3.08Å; S158-N160 PolarHBondContact O-N 3.48Å
161	F	95.6	Very high	95	Very high	21 Å²	21	74.6 Å²	74.6	9%	0.092	38%	0.382	C	S	.	.	S	Bend	trans	-69.6	143.6	176.6	-64.8	-11.6	0	0	0	110.7	W124 E126 Y147 I156 S158 K159 R163 H167	W124-F161 HydrophobicContact CB-CE2 3.76Å; W124-F161 HydrophobicContact CB-CZ 4.27Å; W124-F161 WeakPolarHBondContact O-CZ 3.35Å; E126-F161 HydrophobicContact CB-CD1 3.65Å; E126-F161 HydrophobicContact CB-CE1 3.82Å; E126-F161 HydrophobicContact CB-CG 4.13Å; E126-F161 HydrophobicContact CB-CZ 4.4Å; E126-F161 WeakPolarHBondContact OE2-CA 3.12Å; E126-F161 WeakPolarHBondContact OE2-CB 3.48Å; Y147-F161 HydrophobicContact CD1-CD2 4.38Å; Y147-F161 HydrophobicContact CE1-CB 4.12Å; Y147-F161 HydrophobicContact CE1-CD2 4.19Å; Y147-F161 HydrophobicContact CE1-CG 4.22Å; I156-F161 HydrophobicContact CG2-CE1 3.51Å; I156-F161 HydrophobicContact CG2-CZ 3.57Å; S158-F161 VanDerWaalsContact CB-CE2 3.46Å; S158-F161 VanDerWaalsContact O-CB 3.31Å; S158-F161 WeakPolarHBondContact O-CB 3.27Å; S158-F161 WeakPolarHBondContact O-CG 3.29Å; S158-F161 PolarHBondContact O-N 2.92Å; S158-F161 VanDerWaalsContact O-N 3.11Å; K159-F161 VanDerWaalsContact C-N 3.35Å; F161-R163 PolarHBondContact O-N 3.29Å; F161-H167 HydrophobicContact CD2-CB 3.94Å; F161-H167 HydrophobicContact CE2-CB 4.16Å; F161-H167 WeakPolarHBondContact CE2-O 3.32Å
162	D	93.8	Very high	94.9	Very high	60 Å²	60	75.4 Å²	75.4	32%	0.321	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-33.7	172.3	-173	-93.2	0	0	0	110.4	H14 K16 E126 Y145	H14-D162 IonicContact CD2-OD1 3.41Å; H14-D162 IonicContact CE1-OD1 3.46Å; H14-D162 PolarHBondContact CE1-OD1 3.22Å; H14-D162 IonicContact NE2-OD1 3.67Å; H14-D162 PolarHBondContact NE2-OD1 3.36Å; K16-D162 WeakPolarHBondContact CD-OD2 3.45Å; K16-D162 IonicContact NZ-OD2 2.83Å; K16-D162 PolarHBondContact NZ-OD2 3.31Å; E126-D162 PolarHBondContact OE2-N 2.78Å; Y145-D162 HydrophobicContact CD1-CB 3.91Å; Y145-D162 HydrophobicContact CD2-CB 4.11Å; Y145-D162 HydrophobicContact CE1-CB 3.73Å; Y145-D162 HydrophobicContact CE2-CB 3.93Å; Y145-D162 HydrophobicContact CG-CB 4.09Å
163	R	91.9	Very high	94.8	Very high	94 Å²	94	71.9 Å²	71.9	36%	0.355	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.4	90.6	171	-171.7	177.8	176.1	156.5	2.9	113	H14 Y147 F161 I165 H167	H14-R163 VanDerWaalsContact CE1-CB 3.47Å; H14-R163 WeakPolarHBondContact CE1-CB 3.49Å; Y147-R163 HydrophobicContact CE2-CB 4.28Å; Y147-R163 PolarHBondContact OH-N 3.4Å; F161-R163 PolarHBondContact O-N 3.29Å; R163-I165 PolarHBondContact O-N 3.16Å; R163-H167 PolarHBondContact O-ND1 3.16Å
164	E	92.1	Very high	94.5	Very high	66 Å²	66	74.1 Å²	74.1	31%	0.308	41%	0.408	S	S	.	.			trans	-65.6	-34.6	172.8	-172.9	-169.4	163.9	0	0	113.1	G166 H167 K168	E164-G166 PolarHBondContact O-N 3.34Å; E164-H167 CarbonylContact O-C 3.59Å; E164-H167 PolarHBondContact O-N 3.18Å; E164-K168 HydrophobicContact CG-CG 4.13Å; E164-K168 WeakPolarHBondContact OE1-CE 3.32Å
165	I	90.8	Very high	94.5	Very high	138 Å²	138	68.4 Å²	68.4	71%	0.708	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	112.1	-174	-58	173.3	0	0	0	110.1	R163	R163-I165 PolarHBondContact O-N 3.16Å
166	G	90.6	Very high	94.5	Very high	39 Å²	39	71.3 Å²	71.3	40%	0.402	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.7	-6.3	-176.5	0	0	0	0	0	114.4	E164	E164-G166 PolarHBondContact O-N 3.34Å
167	H	94.4	Very high	94.5	Very high	1 Å²	1	72.1 Å²	72.1	1%	0.005	40%	0.403	C	S	.	.			trans	-130.2	42.8	-174.3	-50	115.9	0	0	0	112.1	W124 Y147 S158 F161 R163 E164	W124-H167 HydrophobicContact CB-CB 4.2Å; W124-H167 VanDerWaalsContact CD1-CA 3.44Å; W124-H167 HydrophobicContact CD2-CB 4.07Å; W124-H167 AromaticContact CD2-CD2 3.69Å; W124-H167 AromaticContact CE2-CD2 3.85Å; W124-H167 AromaticContact CE3-CD2 3.61Å; W124-H167 HydrophobicContact CG-CB 3.86Å; W124-H167 AromaticContact CH2-CD2 3.9Å; W124-H167 AromaticContact CZ2-CD2 3.97Å; W124-H167 AromaticContact CZ3-CD2 3.72Å; Y147-H167 HydrophobicContact CD1-CB 4.22Å; Y147-H167 AromaticContact CD1-CG 3.77Å; Y147-H167 AromaticContact CD1-ND1 3.67Å; Y147-H167 AromaticContact CD2-CE1 3.48Å; Y147-H167 VanDerWaalsContact CD2-CE1 3.48Å; Y147-H167 WeakPolarHBondContact CD2-CE1 3.19Å; Y147-H167 AromaticContact CD2-ND1 3.93Å; Y147-H167 AromaticContact CD2-NE2 3.92Å; Y147-H167 AromaticContact CE1-ND1 3.99Å; Y147-H167 AromaticContact CG-CD2 3.86Å; Y147-H167 AromaticContact CG-CE1 3.49Å; Y147-H167 VanDerWaalsContact CG-CE1 3.49Å; Y147-H167 AromaticContact CG-CG 3.86Å; Y147-H167 AromaticContact CG-ND1 3.65Å; Y147-H167 AromaticContact CG-NE2 3.66Å; S158-H167 WeakPolarHBondContact CB-O 3.36Å; F161-H167 HydrophobicContact CD2-CB 3.94Å; F161-H167 HydrophobicContact CE2-CB 4.16Å; F161-H167 WeakPolarHBondContact CE2-O 3.32Å; R163-H167 PolarHBondContact O-ND1 3.16Å; E164-H167 CarbonylContact O-C 3.59Å; E164-H167 PolarHBondContact O-N 3.18Å
168	K	96.3	Very high	94.5	Very high	137 Å²	137	71.2 Å²	71.2	60%	0.596	40%	0.395	S	S	*	.			trans	-80.8	131.3	-177.7	-69.4	-172.8	173	-173.7	0	111.2	E164 V236	E164-K168 HydrophobicContact CG-CG 4.13Å; E164-K168 WeakPolarHBondContact OE1-CE 3.32Å; K168-V236 WeakPolarHBondContact O-CG1 3.38Å
169	N	96.9	Very high	94.6	Very high	19 Å²	19	74.3 Å²	74.3	10%	0.102	41%	0.414	C	S	.	.			trans	-105.6	151.6	172.9	-68.7	-18.7	0	0	0	111.1	Q123 W124 I156 S158	Q123-N169 HydrophobicContact CB-CB 4.48Å; W124-N169 VanDerWaalsContact CB-OD1 3.29Å; W124-N169 WeakPolarHBondContact CB-OD1 3.2Å; W124-N169 PolarHBondContact N-OD1 3.16Å; W124-N169 PolarHBondContact O-ND2 3.15Å; I156-N169 WeakPolarHBondContact O-CB 3.18Å; I156-N169 PolarHBondContact O-ND2 3.37Å; I156-N169 VanDerWaalsContact O-ND2 3.11Å; S158-N169 PolarHBondContact OG-N 3.27Å
170	P	96.7	Very high	94.7	Very high	46 Å²	46	68.2 Å²	68.2	30%	0.299	39%	0.392	S	S	.	.			trans	-59.9	148.5	166.8	-22.8	35	0	0	0	111.7	M121 A172	M121-P170 HydrophobicContact SD-CB 4.06Å; M121-P170 HydrophobicContact SD-CG 3.95Å; P170-A172 VanDerWaalsContact C-N 3.33Å
171	S	95.1	Very high	94.8	Very high	117 Å²	117	65 Å²	65	82%	0.818	38%	0.378	S	S	*	.	S	Bend	trans	-83.7	-7.7	179.4	57.9	0	0	0	0	114.1
172	A	95.3	Very high	94.9	Very high	60 Å²	60	64.2 Å²	64.2	50%	0.496	37%	0.374	S	S	.	.	S	Bend	trans	-154	155.2	-177.9	0	0	0	0	0	110.6	P170	P170-A172 VanDerWaalsContact C-N 3.33Å
173	M	94.6	Very high	94.8	Very high	28 Å²	28	65.6 Å²	65.6	14%	0.138	39%	0.387	C	S	.	.			trans	-94.6	141.1	167.9	-58.5	-173.4	-170.5	0	0	109.3	V119 M121 S153 I155 V175 L239	V119-M173 HydrophobicContact CG1-SD 4.17Å; M121-M173 HydrophobicContact CB-CE 3.63Å; M121-M173 HydrophobicContact CB-CG 4.11Å; M121-M173 HydrophobicContact CB-SD 4.01Å; M121-M173 HydrophobicContact CE-CE 4.41Å; M121-M173 HydrophobicContact CE-CG 4.4Å; M121-M173 HydrophobicContact SD-CG 4.08Å; S153-M173 WeakPolarHBondContact O-CE 3.14Å; I155-M173 HydrophobicContact CD1-CG 4.44Å; I155-M173 HydrophobicContact CG1-CE 3.97Å; I155-M173 HydrophobicContact CG1-CG 4.04Å; M173-V175 WeakPolarHBondContact CB-O 3.47Å; M173-V175 PolarHBondContact O-N 2.86Å; M173-L239 HydrophobicContact CB-CD2 4.15Å; M173-L239 HydrophobicContact CG-CD2 4.15Å; M173-L239 HydrophobicContact SD-CD2 4.4Å
174	A	92.2	Very high	94.9	Very high	98 Å²	98	67 Å²	67	81%	0.81	40%	0.396	S	S	*	.	S	Bend	trans	-69.4	-21.2	176.4	0	0	0	0	0	113.1	L239	A174-L239 HydrophobicContact CB-CD1 4.1Å
175	V	94.3	Very high	95.1	Very high	20 Å²	20	63.9 Å²	63.9	12%	0.121	38%	0.381	C	S	.	.	S	Bend	trans	-130.7	135.6	179.1	-174.3	0	0	0	0	108.7	Y106 V119 M173 L239	Y106-V175 HydrophobicContact CE2-CG1 4.4Å; Y106-V175 WeakPolarHBondContact OH-CG1 3.32Å; V119-V175 WeakPolarHBondContact CG1-O 3.48Å; V119-V175 HydrophobicContact CG2-CB 4.44Å; V119-V175 HydrophobicContact CG2-CG1 3.94Å; M173-V175 WeakPolarHBondContact CB-O 3.47Å; M173-V175 PolarHBondContact O-N 2.86Å; V175-L239 HydrophobicContact CB-CD1 4.07Å; V175-L239 HydrophobicContact CG2-CD1 4.11Å
176	E	94.6	Very high	95.4	Very high	148 Å²	148	60.3 Å²	60.3	69%	0.692	36%	0.362	S	S	*	.			trans	-103.1	150.7	178.5	-63	-175.8	165.6	0	0	112.3	R117	R117-E176 VanDerWaalsContact CZ-O 3.28Å; R117-E176 PolarHBondContact NE-O 2.9Å; R117-E176 PolarHBondContact NH2-O 3.19Å
177	S	96.9	Very high	95.7	Very high	54 Å²	54	58.5 Å²	58.5	38%	0.378	34%	0.343	S	S	.	.			trans	-67.9	143.9	166.9	-66.1	0	0	0	0	110.2	R117 V119	R117-S177 VanDerWaalsContact O-CA 3.27Å; R117-S177 WeakPolarHBondContact O-CA 3.21Å; R117-S177 WeakPolarHBondContact O-CB 3.39Å; V119-S177 PolarHBondContact N-OG 3.39Å
178	F	96.9	Very high	95.8	Very high	63 Å²	63	59.4 Å²	59.4	28%	0.276	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	164.7	172.2	77.1	-82.8	0	0	0	111.1	D103 R116 R117 A180	D103-F178 HydrophobicContact CB-CZ 4.16Å; D103-F178 VanDerWaalsContact OD2-CE1 3.28Å; D103-F178 WeakPolarHBondContact OD2-CE1 3.25Å; R116-F178 CarbonylContact C-O 3.58Å; R116-F178 WeakPolarHBondContact CA-O 3.35Å; R117-F178 HydrophobicContact CB-CD1 3.63Å; R117-F178 HydrophobicContact CB-CE1 3.43Å; R117-F178 VanDerWaalsContact CB-CE1 3.43Å; R117-F178 HydrophobicContact CB-CZ 4.24Å; R117-F178 HydrophobicContact CG-CD1 4.48Å; R117-F178 HydrophobicContact CG-CE1 4.27Å; R117-F178 VanDerWaalsContact CZ-CD1 3.45Å; R117-F178 PolarHBondContact N-O 3.29Å; R117-F178 PolarHBondContact O-N 3.13Å; R117-F178 VanDerWaalsContact O-N 3.1Å; F178-A180 HydrophobicContact CD2-CB 4.24Å; F178-A180 HydrophobicContact CE2-CB 3.75Å
179	T	97.6	Very high	95.8	Very high	70 Å²	70	60.6 Å²	60.6	43%	0.429	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	111.7	168.9	-59.8	0	0	0	0	109.2	K114 L115 R116 F203	K114-T179 HydrophobicContact CB-CG2 4.25Å; K114-T179 HydrophobicContact CD-CG2 4.36Å; L115-T179 CarbonylContact O-C 3.55Å; L115-T179 WeakPolarHBondContact O-CA 3.31Å; R116-T179 HydrophobicContact CB-CG2 4.38Å; R116-T179 WeakPolarHBondContact CG-OG1 3.11Å; T179-F203 HydrophobicContact CG2-CZ 4.13Å
180	A	97.1	Very high	95.8	Very high	25 Å²	25	59.7 Å²	59.7	21%	0.207	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	138.7	167.3	0	0	0	0	0	109.7	L101 K114 L115 F178	L101-A180 HydrophobicContact CD2-CB 4.41Å; K114-A180 CarbonylContact C-O 3.54Å; K114-A180 VanDerWaalsContact CA-O 3.28Å; K114-A180 WeakPolarHBondContact CA-O 3.35Å; L115-A180 PolarHBondContact N-O 3.35Å; L115-A180 PolarHBondContact O-N 2.98Å; F178-A180 HydrophobicContact CD2-CB 4.24Å; F178-A180 HydrophobicContact CE2-CB 3.75Å
181	T	97.4	Very high	95.9	Very high	62 Å²	62	60.6 Å²	60.6	38%	0.38	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.9	178.1	-59.8	0	0	0	0	109.1	V113 K114 I197	V113-T181 WeakPolarHBondContact O-CA 3.38Å; K114-T181 HydrophobicContact CG-CG2 4.19Å; T181-I197 HydrophobicContact CG2-CG2 3.34Å
182	A	96.4	Very high	96	Very high	3 Å²	3	55.7 Å²	55.7	3%	0.025	31%	0.312	C	S	.	.			trans	-65.3	129.4	176.8	0	0	0	0	0	110	T97 L101 V113 F184 V185	T97-A182 HydrophobicContact CG2-CB 3.68Å; L101-A182 HydrophobicContact CD2-CB 4.38Å; V113-A182 PolarHBondContact O-N 3.22Å; A182-F184 VanDerWaalsContact C-N 3.3Å; A182-F184 PolarHBondContact O-N 3.42Å; A182-V185 HydrophobicContact CB-CG2 4.06Å
183	P	92	Very high	96.2	Very high	89 Å²	89	53.6 Å²	53.6	58%	0.578	29%	0.294	S	S	*	.	S	Bend	trans	-71.4	-26.7	-175.2	27.1	-34.6	0	0	0	113
184	F	94.2	Very high	96.3	Very high	124 Å²	124	56.9 Å²	56.9	54%	0.544	32%	0.317	S	S	.	.			trans	-131.6	116.5	-179.4	-57.5	-73.9	0	0	0	109.3	A182 F191	A182-F184 VanDerWaalsContact C-N 3.3Å; A182-F184 PolarHBondContact O-N 3.42Å; F184-F191 HydrophobicContact CB-CE1 4.48Å
185	V	97.4	Very high	96.5	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.006	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	132.7	178	-172.6	0	0	0	0	107.6	L95 R96 T97 V113 A182 F191 L192 I197	L95-V185 HydrophobicContact CD2-CG1 3.77Å; R96-V185 CarbonylContact O-C 3.54Å; R96-V185 WeakPolarHBondContact O-CA 3.37Å; T97-V185 HydrophobicContact CG2-CG2 4.26Å; V113-V185 HydrophobicContact CB-CG2 4.41Å; V113-V185 HydrophobicContact CG1-CG2 3.82Å; V113-V185 HydrophobicContact CG2-CB 4.46Å; V113-V185 HydrophobicContact CG2-CG1 3.57Å; V113-V185 HydrophobicContact CG2-CG2 3.98Å; A182-V185 HydrophobicContact CB-CG2 4.06Å; V185-F191 WeakPolarHBondContact O-CA 3.32Å; V185-L192 HydrophobicContact CB-CB 4.35Å; V185-L192 HydrophobicContact CB-CD2 4.42Å; V185-L192 HydrophobicContact CG1-CD2 3.93Å; V185-L192 PolarHBondContact O-N 2.85Å; V185-I197 HydrophobicContact CB-CD1 4.21Å; V185-I197 HydrophobicContact CB-CG1 4.12Å; V185-I197 HydrophobicContact CG2-CD1 3.84Å; V185-I197 HydrophobicContact CG2-CG1 3.9Å; V185-I197 HydrophobicContact CG2-CG2 4.42Å
186	Q	96.9	Very high	96.7	Very high	63 Å²	63	52.6 Å²	52.6	29%	0.294	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	157.4	-178.1	69.8	-173.8	7.4	0	0	112.2	R96 F190 F191	R96-Q186 HydrophobicContact CB-CG 3.79Å; R96-Q186 PolarHBondContact N-O 2.8Å; R96-Q186 PolarHBondContact O-N 3.37Å; Q186-F190 CarbonylContact C-O 3.59Å; Q186-F190 WeakPolarHBondContact CA-O 3.34Å; Q186-F190 VanDerWaalsContact CB-O 3.28Å; Q186-F190 WeakPolarHBondContact CB-O 3.34Å; Q186-F191 HydrophobicContact CB-CD1 4.09Å; Q186-F191 HydrophobicContact CB-CE1 4.28Å
187	I	97.3	Very high	96.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	114.6	167	-61.5	163.1	0	0	0	106.6	I77 I91 G93 L95 R189 F190 L192 V261 V263	I77-I187 HydrophobicContact CD1-CG2 4.17Å; I91-I187 HydrophobicContact CG2-CB 4.29Å; I91-I187 HydrophobicContact CG2-CG2 3.73Å; G93-I187 VanDerWaalsContact CA-CG2 3.45Å; L95-I187 HydrophobicContact CD2-CG1 4.3Å; I187-R189 PolarHBondContact O-N 2.89Å; I187-R189 VanDerWaalsContact O-N 3.13Å; I187-F190 PolarHBondContact N-O 2.79Å; I187-F190 PolarHBondContact O-N 2.9Å; I187-L192 HydrophobicContact CD1-CD1 3.86Å; I187-L192 HydrophobicContact CG1-CD1 3.86Å; I187-V261 HydrophobicContact CD1-CG2 3.4Å; I187-V261 VanDerWaalsContact CD1-CG2 3.4Å; I187-V261 HydrophobicContact CG1-CG2 4.17Å; I187-V263 HydrophobicContact CD1-CB 4.45Å; I187-V263 HydrophobicContact CD1-CG2 3.61Å
188	G	95.8	Very high	96.8	Very high	20 Å²	20	48.6 Å²	48.6	21%	0.206	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	-118.4	-170.8	0	0	0	0	0	111	I77	I77-G188 CarbonylContact O-C 3.3Å; I77-G188 WeakPolarHBondContact O-CA 3.39Å
189	R	96.1	Very high	96.9	Very high	163 Å²	163	49.7 Å²	49.7	62%	0.615	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-0.9	175.7	-66.9	-64	-177.1	166.8	-3.8	114.7	I77 H78 V80 I187	I77-R189 PolarHBondContact O-N 2.76Å; H78-R189 VanDerWaalsContact C-CG 3.4Å; H78-R189 WeakPolarHBondContact O-CG 3.45Å; V80-R189 HydrophobicContact CG2-CB 3.96Å; I187-R189 PolarHBondContact O-N 2.89Å; I187-R189 VanDerWaalsContact O-N 3.13Å
190	F	97.9	Very high	96.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	126.5	-172	-64.3	-83	0	0	0	112.2	V80 I91 Q186 I187 Q267 D270 L272	V80-F190 HydrophobicContact CB-CE1 4.42Å; V80-F190 HydrophobicContact CG1-CE1 4.15Å; V80-F190 HydrophobicContact CG2-CD1 4.37Å; V80-F190 HydrophobicContact CG2-CE1 3.97Å; V80-F190 HydrophobicContact CG2-CZ 4.2Å; I91-F190 HydrophobicContact CD1-CB 4.34Å; I91-F190 HydrophobicContact CD1-CD1 4.1Å; I91-F190 HydrophobicContact CD1-CD2 3.66Å; I91-F190 HydrophobicContact CD1-CE1 4.29Å; I91-F190 HydrophobicContact CD1-CE2 3.88Å; I91-F190 HydrophobicContact CD1-CG 3.77Å; I91-F190 HydrophobicContact CD1-CZ 4.18Å; Q186-F190 CarbonylContact C-O 3.59Å; Q186-F190 WeakPolarHBondContact CA-O 3.34Å; Q186-F190 VanDerWaalsContact CB-O 3.28Å; Q186-F190 WeakPolarHBondContact CB-O 3.34Å; I187-F190 PolarHBondContact N-O 2.79Å; I187-F190 PolarHBondContact O-N 2.9Å; F190-Q267 HydrophobicContact CE1-CG 4.06Å; F190-D270 CarbonylContact C-O 3.56Å; F190-D270 VanDerWaalsContact CA-O 3.22Å; F190-D270 WeakPolarHBondContact CA-O 3.46Å; F190-L272 HydrophobicContact CB-CD1 3.87Å; F190-L272 HydrophobicContact CB-CD2 4.24Å; F190-L272 HydrophobicContact CB-CG 3.89Å; F190-L272 HydrophobicContact CD1-CD2 3.95Å; F190-L272 HydrophobicContact CD1-CG 4.47Å; F190-L272 HydrophobicContact CG-CD2 4.3Å; F190-L272 HydrophobicContact CG-CG 4.49Å
191	F	97.9	Very high	96.8	Very high	65 Å²	65	50.2 Å²	50.2	29%	0.285	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	136.8	175.6	-69	-84.9	0	0	0	112	F184 V185 Q186 D270 L272	F184-F191 HydrophobicContact CB-CE1 4.48Å; V185-F191 WeakPolarHBondContact O-CA 3.32Å; Q186-F191 HydrophobicContact CB-CD1 4.09Å; Q186-F191 HydrophobicContact CB-CE1 4.28Å; F191-D270 HydrophobicContact CD2-CB 4.3Å; F191-D270 WeakPolarHBondContact CD2-OD2 3.38Å; F191-D270 WeakPolarHBondContact CE2-OD2 3.45Å; F191-D270 PolarHBondContact N-O 3.31Å; F191-L272 PolarHBondContact O-N 2.98Å
192	L	98.1	Very high	96.7	Very high	13 Å²	13	49 Å²	49	7%	0.068	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	131.7	176.6	-82	60.9	0	0	0	109.7	L95 V185 I187 L196 I197 L286	L95-L192 HydrophobicContact CD2-CD2 3.86Å; V185-L192 HydrophobicContact CB-CB 4.35Å; V185-L192 HydrophobicContact CB-CD2 4.42Å; V185-L192 HydrophobicContact CG1-CD2 3.93Å; V185-L192 PolarHBondContact O-N 2.85Å; I187-L192 HydrophobicContact CD1-CD1 3.86Å; I187-L192 HydrophobicContact CG1-CD1 3.86Å; L192-L196 HydrophobicContact CB-CB 3.92Å; L192-L196 HydrophobicContact CB-CD1 4.31Å; L192-L196 HydrophobicContact CD2-CB 4.15Å; L192-L196 HydrophobicContact CG-CB 3.97Å; L192-L196 HydrophobicContact CG-CD1 4.11Å; L192-I197 HydrophobicContact CB-CG1 3.96Å; L192-L286 HydrophobicContact CD2-CD1 4.14Å
193	S	97.7	Very high	96.7	Very high	16 Å²	16	51.5 Å²	51.5	11%	0.112	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-65.1	159.9	167.9	55.1	0	0	0	0	111.9	G195 L196 I197 L272	S193-G195 PolarHBondContact O-N 2.97Å; S193-G195 VanDerWaalsContact O-N 3.16Å; S193-L196 WeakPolarHBondContact O-CB 3.4Å; S193-L196 PolarHBondContact O-N 2.9Å; S193-I197 PolarHBondContact O-N 2.96Å; S193-I197 VanDerWaalsContact O-N 3.1Å; S193-L272 WeakPolarHBondContact CB-O 3.49Å; S193-L272 PolarHBondContact N-O 3.01Å; S193-L272 VanDerWaalsContact N-O 3.17Å; S193-L272 PolarHBondContact OG-O 3.41Å
194	P	96.9	Very high	96.9	Very high	98 Å²	98	51.6 Å²	51.6	64%	0.636	26%	0.26	S	S	*	.	H	α-helix	trans	-51.3	-40.6	177.7	-29.4	36	0	0	0	113.5	L196 I197 D198	P194-L196 VanDerWaalsContact C-N 3.28Å; P194-L196 PolarHBondContact O-N 3.13Å; P194-I197 PolarHBondContact O-N 3.1Å; P194-I197 VanDerWaalsContact O-N 3.13Å; P194-D198 PolarHBondContact O-N 3.18Å
195	G	97.1	Very high	97	Very high	27 Å²	27	50.6 Å²	50.6	28%	0.278	27%	0.266	S	S	.	.	H	α-helix	trans	-66.4	-23.3	177.8	0	0	0	0	0	114.9	S193 K199	S193-G195 PolarHBondContact O-N 2.97Å; S193-G195 VanDerWaalsContact O-N 3.16Å; G195-K199 WeakPolarHBondContact O-CD 3.29Å; G195-K199 WeakPolarHBondContact O-CG 3.39Å
196	L	98.1	Very high	97	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-79.7	-41.1	170.1	-72.8	168.3	0	0	0	111	L192 S193 P194 D198 K199 V200 V263 A265 L272 L284 L286	L192-L196 HydrophobicContact CB-CB 3.92Å; L192-L196 HydrophobicContact CB-CD1 4.31Å; L192-L196 HydrophobicContact CD2-CB 4.15Å; L192-L196 HydrophobicContact CG-CB 3.97Å; L192-L196 HydrophobicContact CG-CD1 4.11Å; S193-L196 WeakPolarHBondContact O-CB 3.4Å; S193-L196 PolarHBondContact O-N 2.9Å; P194-L196 VanDerWaalsContact C-N 3.28Å; P194-L196 PolarHBondContact O-N 3.13Å; L196-D198 PolarHBondContact O-N 2.83Å; L196-K199 WeakPolarHBondContact O-CB 3.34Å; L196-K199 PolarHBondContact O-N 3.36Å; L196-K199 VanDerWaalsContact O-N 3.12Å; L196-V200 PolarHBondContact O-N 3.27Å; L196-V263 HydrophobicContact CD1-CG1 3.82Å; L196-V263 HydrophobicContact CD2-CG1 3.83Å; L196-A265 HydrophobicContact CD1-CB 4.29Å; L196-L272 HydrophobicContact CD1-CB 3.62Å; L196-L272 WeakPolarHBondContact CD1-O 3.48Å; L196-L284 HydrophobicContact CD1-CD1 3.97Å; L196-L284 HydrophobicContact CD2-CD1 3.76Å; L196-L284 HydrophobicContact CD2-CD2 4.47Å; L196-L284 HydrophobicContact CD2-CG 3.72Å; L196-L284 HydrophobicContact CG-CD1 3.6Å; L196-L284 HydrophobicContact CG-CD2 4.22Å; L196-L284 HydrophobicContact CG-CG 3.85Å; L196-L286 HydrophobicContact CB-CD1 4.37Å; L196-L286 HydrophobicContact CD2-CB 3.98Å; L196-L286 HydrophobicContact CD2-CD1 4.38Å; L196-L286 WeakPolarHBondContact O-CD1 3.44Å
197	I	97.7	Very high	96.9	Very high	13 Å²	13	51 Å²	51	7%	0.067	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-39.6	175.7	-61.4	174	0	0	0	110.3	V113 K114 T181 V185 L192 S193 P194 K199 V200	V113-I197 HydrophobicContact CG1-CG2 3.88Å; K114-I197 WeakPolarHBondContact CE-O 3.42Å; K114-I197 PolarHBondContact NZ-O 2.88Å; T181-I197 HydrophobicContact CG2-CG2 3.34Å; V185-I197 HydrophobicContact CB-CD1 4.21Å; V185-I197 HydrophobicContact CB-CG1 4.12Å; V185-I197 HydrophobicContact CG2-CD1 3.84Å; V185-I197 HydrophobicContact CG2-CG1 3.9Å; V185-I197 HydrophobicContact CG2-CG2 4.42Å; L192-I197 HydrophobicContact CB-CG1 3.96Å; S193-I197 PolarHBondContact O-N 2.96Å; S193-I197 VanDerWaalsContact O-N 3.1Å; P194-I197 PolarHBondContact O-N 3.1Å; P194-I197 VanDerWaalsContact O-N 3.13Å; I197-K199 VanDerWaalsContact C-N 3.27Å; I197-K199 PolarHBondContact O-N 2.91Å; I197-V200 WeakPolarHBondContact O-CB 3.42Å; I197-V200 PolarHBondContact O-N 2.93Å; I197-V200 VanDerWaalsContact O-N 3.07Å
198	D	97.1	Very high	96.7	Very high	106 Å²	106	51 Å²	51	57%	0.567	27%	0.274	S	S	*	.	H	α-helix	trans	-60.5	-36.2	176.2	-74.5	-19.9	0	0	0	112.5	K114 P194 L196 V200	K114-D198 PolarHBondContact NZ-O 2.99Å; P194-D198 PolarHBondContact O-N 3.18Å; L196-D198 PolarHBondContact O-N 2.83Å; D198-V200 PolarHBondContact O-N 2.78Å
199	K	97.4	Very high	96.4	Very high	85 Å²	85	53.5 Å²	53.5	37%	0.37	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-7.8	176.9	-69.4	164.3	-178.6	-87.7	0	114.1	G195 L196 I197 D201 L284 L286	G195-K199 WeakPolarHBondContact O-CD 3.29Å; G195-K199 WeakPolarHBondContact O-CG 3.39Å; L196-K199 WeakPolarHBondContact O-CB 3.34Å; L196-K199 PolarHBondContact O-N 3.36Å; L196-K199 VanDerWaalsContact O-N 3.12Å; I197-K199 VanDerWaalsContact C-N 3.27Å; I197-K199 PolarHBondContact O-N 2.91Å; K199-D201 PolarHBondContact O-N 3.26Å; K199-D201 VanDerWaalsContact O-N 3.12Å; K199-L284 WeakPolarHBondContact CE-O 3.38Å; K199-L284 PolarHBondContact NZ-O 2.99Å; K199-L286 HydrophobicContact CB-CB 3.96Å; K199-L286 HydrophobicContact CB-CD2 4.45Å; K199-L286 HydrophobicContact CD-CB 4.22Å
200	V	97.6	Very high	96	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.29	C	S	.	.			trans	-79.9	89.8	169.2	-175.9	0	0	0	0	107.9	L95 V113 K114 L196 I197 D198 A246 L286	L95-V200 HydrophobicContact CD1-CG1 4.34Å; L95-V200 HydrophobicContact CD1-CG2 4.46Å; V113-V200 HydrophobicContact CB-CG1 4.02Å; V113-V200 HydrophobicContact CG1-CB 4.03Å; V113-V200 HydrophobicContact CG1-CG1 4.03Å; V113-V200 HydrophobicContact CG1-CG2 4.21Å; K114-V200 WeakPolarHBondContact CD-O 3.12Å; K114-V200 WeakPolarHBondContact CE-O 3.4Å; K114-V200 PolarHBondContact NZ-O 2.65Å; L196-V200 PolarHBondContact O-N 3.27Å; I197-V200 WeakPolarHBondContact O-CB 3.42Å; I197-V200 PolarHBondContact O-N 2.93Å; I197-V200 VanDerWaalsContact O-N 3.07Å; D198-V200 PolarHBondContact O-N 2.78Å; V200-A246 HydrophobicContact CG1-CB 4.06Å; V200-L286 HydrophobicContact CG2-CD1 3.85Å; V200-L286 HydrophobicContact CG2-CD2 4.33Å
201	D	95.9	Very high	95.6	Very high	106 Å²	106	54.9 Å²	54.9	57%	0.567	30%	0.301	S	S	*	.			trans	-126.2	8.9	-173.2	66.9	-1.2	0	0	0	113.8	K199 F203 H288	K199-D201 PolarHBondContact O-N 3.26Å; K199-D201 VanDerWaalsContact O-N 3.12Å; D201-F203 VanDerWaalsContact O-CD2 3.32Å; D201-F203 WeakPolarHBondContact O-CD2 3.33Å; D201-F203 PolarHBondContact O-N 2.9Å; D201-H288 IonicContact OD1-NE2 3.78Å
202	N	94.9	Very high	95.2	Very high	38 Å²	38	59.9 Å²	59.9	20%	0.203	33%	0.325	C	S	.	.			trans	-72.5	59.6	175.9	69.7	-28.3	0	0	0	113.7	K204 G247 H288	N202-K204 PolarHBondContact O-N 3.33Å; N202-G247 PolarHBondContact OD1-N 3.43Å; N202-H288 WeakPolarHBondContact CB-NE2 3.19Å; N202-H288 PolarHBondContact ND2-ND1 3.01Å; N202-H288 PolarHBondContact OD1-CE1 3.18Å
203	F	97.1	Very high	94.7	Very high	54 Å²	54	63.4 Å²	63.4	24%	0.237	34%	0.344	C	S	.	.			trans	-62.3	122.1	-179.9	-74.4	-81.7	0	0	0	111.8	K114 R116 T179 D201 Y245 A246	K114-F203 HydrophobicContact CB-CE1 3.93Å; K114-F203 HydrophobicContact CB-CZ 3.97Å; K114-F203 HydrophobicContact CD-CE2 4.49Å; K114-F203 HydrophobicContact CD-CZ 3.87Å; R116-F203 HydrophobicContact CB-CD1 4.11Å; R116-F203 HydrophobicContact CB-CE1 3.63Å; R116-F203 HydrophobicContact CB-CZ 4.36Å; R116-F203 VanDerWaalsContact NH2-CG 3.35Å; T179-F203 HydrophobicContact CG2-CZ 4.13Å; D201-F203 VanDerWaalsContact O-CD2 3.32Å; D201-F203 WeakPolarHBondContact O-CD2 3.33Å; D201-F203 PolarHBondContact O-N 2.9Å; F203-Y245 CarbonylContact C-O 2.96Å; F203-Y245 VanDerWaalsContact CA-O 3.28Å; F203-Y245 WeakPolarHBondContact CA-O 3.46Å; F203-A246 HydrophobicContact CD1-CB 3.98Å; F203-A246 HydrophobicContact CD2-CB 4.38Å; F203-A246 HydrophobicContact CE1-CB 4.09Å; F203-A246 HydrophobicContact CE2-CB 4.48Å; F203-A246 HydrophobicContact CG-CB 4.13Å; F203-A246 HydrophobicContact CZ-CB 4.35Å
204	K	96.2	Very high	94.3	Very high	91 Å²	91	64.7 Å²	64.7	40%	0.396	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	141	170.3	-64.8	179.2	179.9	175.6	0	109.3	N202 S244 Y245 H259	N202-K204 PolarHBondContact O-N 3.33Å; K204-S244 CarbonylContact O-C 3.51Å; K204-S244 WeakPolarHBondContact O-CA 3.2Å; K204-S244 WeakPolarHBondContact O-CB 3.33Å; K204-Y245 HydrophobicContact CB-CE1 4.02Å; K204-Y245 PolarHBondContact N-O 3.38Å; K204-Y245 WeakPolarHBondContact O-CD1 3.37Å; K204-Y245 PolarHBondContact O-N 3.3Å; K204-H259 PolarHBondContact NZ-NE2 3.43Å
205	P	96.6	Very high	93.9	Very high	104 Å²	104	65.5 Å²	65.5	68%	0.675	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.8	139	172.8	27.1	-33.4	0	0	0	109.8
206	L	96.1	Very high	93.3	Very high	15 Å²	15	70.9 Å²	70.9	8%	0.079	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-91.1	122.4	173.2	-179.5	64.6	0	0	0	108.2	V108 L110 F243 Y245 L255	V108-L206 HydrophobicContact CG1-CD2 3.54Å; V108-L206 HydrophobicContact CG2-CD2 4.46Å; L110-L206 HydrophobicContact CD1-CD1 4.46Å; L206-F243 HydrophobicContact CB-CB 3.91Å; L206-F243 HydrophobicContact CD2-CB 3.88Å; L206-F243 HydrophobicContact CG-CB 4.46Å; L206-F243 PolarHBondContact N-O 3.45Å; L206-Y245 HydrophobicContact CB-CD1 4.13Å; L206-Y245 HydrophobicContact CD1-CD1 4.16Å; L206-Y245 HydrophobicContact CD1-CE1 4.23Å; L206-L255 HydrophobicContact CD1-CD1 4Å; L206-L255 HydrophobicContact CD1-CD2 3.76Å
207	S	94.7	Very high	92.8	Very high	56 Å²	56	75.4 Å²	75.4	39%	0.392	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-72.5	135.6	174.1	-174.9	0	0	0	0	110.6	S209 D223	S207-S209 PolarHBondContact OG-N 3.41Å; S207-S209 PolarHBondContact OG-OG 3.43Å; S207-D223 WeakPolarHBondContact CA-OD1 3.27Å; S207-D223 WeakPolarHBondContact CB-OD1 3.34Å; S207-D223 PolarHBondContact OG-OD1 3.21Å
208	L	93.9	Very high	92.6	Very high	0 Å²	0	75.4 Å²	75.4	0%	0	40%	0.399	C	S	.	.			trans	-96.5	2.1	177.2	-49.8	-178.3	0	0	0	112.3	K210 L211 R220 D223 F225 F243	L208-K210 PolarHBondContact O-N 2.71Å; L208-L211 HydrophobicContact CB-CD1 4.34Å; L208-L211 HydrophobicContact CD2-CD1 3.61Å; L208-L211 PolarHBondContact O-N 2.86Å; L208-R220 HydrophobicContact CB-CG 4.23Å; L208-R220 WeakPolarHBondContact O-CD 3.36Å; L208-R220 PolarHBondContact O-NH1 3.1Å; L208-R220 VanDerWaalsContact O-NH1 3.11Å; L208-D223 WeakPolarHBondContact CD1-O 3.33Å; L208-D223 PolarHBondContact N-OD1 2.92Å; L208-F225 HydrophobicContact CD1-CD2 3.54Å; L208-F225 HydrophobicContact CD1-CE2 3.57Å; L208-F225 HydrophobicContact CD1-CG 4.1Å; L208-F225 HydrophobicContact CD1-CZ 4.1Å; L208-F225 HydrophobicContact CD2-CE2 4.01Å; L208-F225 HydrophobicContact CG-CE2 4.32Å; L208-F243 HydrophobicContact CD2-CD2 4.11Å
209	S	89.7	Confident	92.5	Very high	73 Å²	73	73.2 Å²	73.2	51%	0.51	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-34.5	-172.9	52.1	0	0	0	0	114.7	S207 R220	S207-S209 PolarHBondContact OG-N 3.41Å; S207-S209 PolarHBondContact OG-OG 3.43Å; S209-R220 PolarHBondContact O-NH1 2.97Å
210	K	87.3	Confident	92.3	Very high	148 Å²	148	72.9 Å²	72.9	64%	0.643	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-1.6	-178.1	-63.2	-175	176.5	-160.9	0	115.1	L208 D254	L208-K210 PolarHBondContact O-N 2.71Å; K210-D254 WeakPolarHBondContact CD-OD2 3.37Å; K210-D254 WeakPolarHBondContact CE-OD1 3.33Å; K210-D254 WeakPolarHBondContact CE-OD2 3.31Å; K210-D254 IonicContact NZ-OD1 3.43Å; K210-D254 PolarHBondContact NZ-OD1 2.91Å; K210-D254 IonicContact NZ-OD2 2.69Å; K210-D254 PolarHBondContact NZ-OD2 3.41Å
211	L	89.3	Confident	92.1	Very high	45 Å²	45	79.5 Å²	79.5	24%	0.236	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-86.2	150.2	176.3	-72.8	162.7	0	0	0	110.2	G107 V108 L208 R220 F225	G107-L211 WeakPolarHBondContact O-CD2 3.3Å; V108-L211 HydrophobicContact CG2-CD1 4.02Å; L208-L211 HydrophobicContact CB-CD1 4.34Å; L208-L211 HydrophobicContact CD2-CD1 3.61Å; L208-L211 PolarHBondContact O-N 2.86Å; L211-R220 PolarHBondContact O-NE 3.44Å; L211-R220 PolarHBondContact O-NH2 3.3Å; L211-F225 HydrophobicContact CB-CZ 4.27Å; L211-F225 HydrophobicContact CD1-CZ 4.37Å
212	E	89.4	Confident	91.9	Very high	169 Å²	169	76.8 Å²	76.8	79%	0.79	41%	0.405	S	S	*	.	P	Polyproline II helix	trans	-85.1	164.8	170.2	-65.5	-175.4	175	0	0	110.4	P214	E212-P214 WeakPolarHBondContact O-CD 3.22Å
213	D	88.8	Confident	91.9	Very high	87 Å²	87	78.2 Å²	78.2	47%	0.465	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-67.1	122	171.7	-69.4	-18.6	0	0	0	108.4	H215 R220	D213-H215 VanDerWaalsContact C-N 3.26Å; D213-H215 PolarHBondContact O-N 2.94Å; D213-R220 WeakPolarHBondContact OD1-CB 3.42Å; D213-R220 PolarHBondContact OD1-N 3.46Å
214	P	88.8	Confident	91.9	Very high	43 Å²	43	78.3 Å²	78.3	28%	0.279	41%	0.413	S	S	.	.	S	Bend	trans	-71.3	-24.8	-170.6	27.1	-35.1	0	0	0	112.7	N105 Y106 E212 I218 F225	N105-P214 WeakPolarHBondContact O-CB 3.38Å; Y106-P214 HydrophobicContact CD1-CG 4.24Å; E212-P214 WeakPolarHBondContact O-CD 3.22Å; P214-I218 HydrophobicContact CG-CB 3.96Å; P214-I218 HydrophobicContact CG-CD1 3.9Å; P214-I218 HydrophobicContact CG-CG2 3.71Å; P214-F225 VanDerWaalsContact CD-CE1 3.44Å; P214-F225 HydrophobicContact CG-CD1 4.27Å; P214-F225 HydrophobicContact CG-CE1 4.16Å
215	H	87.4	Confident	91.9	Very high	115 Å²	115	74 Å²	74	53%	0.532	39%	0.394	S	S	.	.	S	Bend	trans	-155.3	159.9	-179.4	-150.5	-91.3	0	0	0	110	D213 D217 I218	D213-H215 VanDerWaalsContact C-N 3.26Å; D213-H215 PolarHBondContact O-N 2.94Å; H215-D217 WeakPolarHBondContact CB-OD1 3.49Å; H215-D217 IonicContact CE1-OD1 2.85Å; H215-D217 IonicContact CG-OD1 2.77Å; H215-D217 VanDerWaalsContact CG-OD1 3.31Å; H215-D217 IonicContact ND1-OD1 2.7Å; H215-D217 PolarHBondContact ND1-OD1 3.42Å; H215-D217 PolarHBondContact O-N 3.5Å; H215-I218 HydrophobicContact CB-CD1 4.14Å; H215-I218 HydrophobicContact CB-CG1 4.35Å; H215-I218 PolarHBondContact O-N 3.32Å; H215-I218 VanDerWaalsContact O-N 3.08Å
216	V	84.9	Confident	92	Very high	141 Å²	141	70.3 Å²	70.3	86%	0.855	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.4	-173.3	68	0	0	0	0	114
217	D	88.1	Confident	92	Very high	95 Å²	95	71.7 Å²	71.7	51%	0.508	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	1.8	179.9	59.2	-31.3	0	0	0	113.2	H215	H215-D217 WeakPolarHBondContact CB-OD1 3.49Å; H215-D217 IonicContact CE1-OD1 2.85Å; H215-D217 IonicContact CG-OD1 2.77Å; H215-D217 VanDerWaalsContact CG-OD1 3.31Å; H215-D217 IonicContact ND1-OD1 2.7Å; H215-D217 PolarHBondContact ND1-OD1 3.42Å; H215-D217 PolarHBondContact O-N 3.5Å
218	I	93.7	Very high	91.9	Very high	13 Å²	13	69.6 Å²	69.6	7%	0.067	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	113.2	178.9	-60.6	175.1	0	0	0	109.1	Y106 P214 H215 F225 Y226	Y106-I218 HydrophobicContact CE1-CD1 4.3Å; P214-I218 HydrophobicContact CG-CB 3.96Å; P214-I218 HydrophobicContact CG-CD1 3.9Å; P214-I218 HydrophobicContact CG-CG2 3.71Å; H215-I218 HydrophobicContact CB-CD1 4.14Å; H215-I218 HydrophobicContact CB-CG1 4.35Å; H215-I218 PolarHBondContact O-N 3.32Å; H215-I218 VanDerWaalsContact O-N 3.08Å; I218-F225 HydrophobicContact CG2-CB 3.69Å; I218-F225 HydrophobicContact CG2-CD1 3.84Å; I218-F225 HydrophobicContact CG2-CG 4.07Å; I218-Y226 WeakPolarHBondContact CA-O 3.32Å
219	I	93.7	Very high	91.7	Very high	59 Å²	59	78.5 Å²	78.5	30%	0.303	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	120.5	-178.2	-58.9	168.4	0	0	0	109	Y226 S228 P231	I219-Y226 PolarHBondContact N-O 3.35Å; I219-Y226 PolarHBondContact O-N 2.9Å; I219-S228 WeakPolarHBondContact CD1-O 3.47Å; I219-P231 HydrophobicContact CB-CG 3.94Å; I219-P231 HydrophobicContact CD1-CG 4.04Å; I219-P231 HydrophobicContact CG2-CG 3.92Å
220	R	94.8	Very high	91.8	Very high	79 Å²	79	78.7 Å²	78.7	30%	0.298	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	132.2	170.6	-171.7	177.7	57.4	93.3	-8.3	111.3	L208 S209 L211 D213 F224 F225	L208-R220 HydrophobicContact CB-CG 4.23Å; L208-R220 WeakPolarHBondContact O-CD 3.36Å; L208-R220 PolarHBondContact O-NH1 3.1Å; L208-R220 VanDerWaalsContact O-NH1 3.11Å; S209-R220 PolarHBondContact O-NH1 2.97Å; L211-R220 PolarHBondContact O-NE 3.44Å; L211-R220 PolarHBondContact O-NH2 3.3Å; D213-R220 WeakPolarHBondContact OD1-CB 3.42Å; D213-R220 PolarHBondContact OD1-N 3.46Å; R220-F224 WeakPolarHBondContact CA-O 3.28Å; R220-F225 HydrophobicContact CB-CD1 3.77Å; R220-F225 HydrophobicContact CB-CE1 3.78Å; R220-F225 HydrophobicContact CG-CD1 4.04Å; R220-F225 HydrophobicContact CG-CE1 3.85Å
221	R	92.8	Very high	92.1	Very high	138 Å²	138	72.5 Å²	72.5	52%	0.521	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	118.1	171.8	-173.8	175.1	-178.1	166.4	0.3	110.9	D223 F224 Y226	R221-D223 PolarHBondContact O-N 2.91Å; R221-F224 PolarHBondContact N-O 3.5Å; R221-F224 PolarHBondContact O-N 2.89Å; R221-Y226 HydrophobicContact CB-CD2 4.16Å; R221-Y226 HydrophobicContact CB-CE2 3.86Å
222	G	92	Very high	92.2	Very high	50 Å²	50	76.2 Å²	76.2	52%	0.515	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	-130.9	-170.4	0	0	0	0	0	110.3
223	D	94.8	Very high	92.4	Very high	67 Å²	67	75.2 Å²	75.2	36%	0.358	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.2	27.3	178.3	-60.8	-39.6	0	0	0	112.8	S207 L208 R221	S207-D223 WeakPolarHBondContact CA-OD1 3.27Å; S207-D223 WeakPolarHBondContact CB-OD1 3.34Å; S207-D223 PolarHBondContact OG-OD1 3.21Å; L208-D223 WeakPolarHBondContact CD1-O 3.33Å; L208-D223 PolarHBondContact N-OD1 2.92Å; R221-D223 PolarHBondContact O-N 2.91Å
224	F	97	Very high	92.7	Very high	56 Å²	56	72.6 Å²	72.6	25%	0.246	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	143.7	174.2	-63.8	-88.4	0	0	0	112.1	R220 R221 Y226 R240 V241	R220-F224 WeakPolarHBondContact CA-O 3.28Å; R221-F224 PolarHBondContact N-O 3.5Å; R221-F224 PolarHBondContact O-N 2.89Å; F224-Y226 HydrophobicContact CB-CD2 4.09Å; F224-Y226 HydrophobicContact CB-CE2 3.45Å; F224-Y226 VanDerWaalsContact CB-CE2 3.45Å; F224-Y226 HydrophobicContact CG-CE2 4.41Å; F224-R240 HydrophobicContact CD1-CB 4.11Å; F224-R240 HydrophobicContact CD1-CG 3.95Å; F224-R240 HydrophobicContact CE1-CG 4.24Å; F224-V241 CarbonylContact C-O 3.58Å; F224-V241 VanDerWaalsContact CA-O 3.28Å; F224-V241 WeakPolarHBondContact CA-O 3.37Å
225	F	97.3	Very high	93.1	Very high	0 Å²	0	77 Å²	77	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	133.3	158.6	-68.6	-66.1	0	0	0	109.3	Y106 L208 L211 P214 I218 R220 R240 V241 F243	Y106-F225 HydrophobicContact CD1-CB 3.97Å; Y106-F225 AromaticContact CD1-CD2 3.42Å; Y106-F225 HydrophobicContact CD1-CD2 3.42Å; Y106-F225 VanDerWaalsContact CD1-CD2 3.42Å; Y106-F225 AromaticContact CD1-CE2 3.97Å; Y106-F225 HydrophobicContact CD1-CE2 3.97Å; Y106-F225 AromaticContact CD1-CG 3.78Å; Y106-F225 HydrophobicContact CD1-CG 3.78Å; Y106-F225 HydrophobicContact CE1-CB 3.94Å; Y106-F225 HydrophobicContact CE1-CD2 4.19Å; Y106-F225 HydrophobicContact CE1-CG 4.27Å; Y106-F225 HydrophobicContact CG-CD2 4.17Å; Y106-F225 HydrophobicContact CG-CE2 4.37Å; L208-F225 HydrophobicContact CD1-CD2 3.54Å; L208-F225 HydrophobicContact CD1-CE2 3.57Å; L208-F225 HydrophobicContact CD1-CG 4.1Å; L208-F225 HydrophobicContact CD1-CZ 4.1Å; L208-F225 HydrophobicContact CD2-CE2 4.01Å; L208-F225 HydrophobicContact CG-CE2 4.32Å; L211-F225 HydrophobicContact CB-CZ 4.27Å; L211-F225 HydrophobicContact CD1-CZ 4.37Å; P214-F225 VanDerWaalsContact CD-CE1 3.44Å; P214-F225 HydrophobicContact CG-CD1 4.27Å; P214-F225 HydrophobicContact CG-CE1 4.16Å; I218-F225 HydrophobicContact CG2-CB 3.69Å; I218-F225 HydrophobicContact CG2-CD1 3.84Å; I218-F225 HydrophobicContact CG2-CG 4.07Å; R220-F225 HydrophobicContact CB-CD1 3.77Å; R220-F225 HydrophobicContact CB-CE1 3.78Å; R220-F225 HydrophobicContact CG-CD1 4.04Å; R220-F225 HydrophobicContact CG-CE1 3.85Å; F225-R240 CarbonylContact O-C 3.56Å; F225-R240 WeakPolarHBondContact O-CA 3.39Å; F225-V241 HydrophobicContact CB-CB 4.33Å; F225-V241 PolarHBondContact N-O 3.49Å; F225-V241 PolarHBondContact O-N 3.03Å; F225-F243 HydrophobicContact CD2-CD2 4.4Å; F225-F243 AromaticContact CD2-CE2 3.91Å; F225-F243 HydrophobicContact CD2-CE2 3.91Å; F225-F243 HydrophobicContact CE2-CD2 4.42Å; F225-F243 HydrophobicContact CE2-CE2 4.05Å
226	Y	96.9	Very high	93.5	Very high	27 Å²	27	74 Å²	74	11%	0.106	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	129.2	-179.6	-68.2	-94.1	0	0	0	110.6	W151 I218 I219 R221 F224 S228 P231 L239 R240	W151-Y226 HydrophobicContact CH2-CD1 4.13Å; W151-Y226 HydrophobicContact CH2-CE1 4.2Å; W151-Y226 HydrophobicContact CZ2-CD1 4.26Å; W151-Y226 AromaticContact CZ2-CE1 3.94Å; W151-Y226 HydrophobicContact CZ2-CE1 3.94Å; I218-Y226 WeakPolarHBondContact CA-O 3.32Å; I219-Y226 PolarHBondContact N-O 3.35Å; I219-Y226 PolarHBondContact O-N 2.9Å; R221-Y226 HydrophobicContact CB-CD2 4.16Å; R221-Y226 HydrophobicContact CB-CE2 3.86Å; F224-Y226 HydrophobicContact CB-CD2 4.09Å; F224-Y226 HydrophobicContact CB-CE2 3.45Å; F224-Y226 VanDerWaalsContact CB-CE2 3.45Å; F224-Y226 HydrophobicContact CG-CE2 4.41Å; Y226-S228 PolarHBondContact O-N 3.09Å; Y226-P231 HydrophobicContact CD1-CB 3.91Å; Y226-P231 HydrophobicContact CD1-CG 4.41Å; Y226-P231 HydrophobicContact CD2-CB 3.9Å; Y226-P231 HydrophobicContact CD2-CG 4.11Å; Y226-P231 HydrophobicContact CE1-CB 4.29Å; Y226-P231 HydrophobicContact CE2-CB 4.28Å; Y226-P231 HydrophobicContact CG-CB 3.69Å; Y226-P231 HydrophobicContact CG-CG 3.81Å; Y226-L239 CarbonylContact C-O 3.56Å; Y226-L239 WeakPolarHBondContact CA-O 3.46Å; Y226-R240 HydrophobicContact CD1-CB 3.72Å; Y226-R240 HydrophobicContact CE1-CB 3.59Å; Y226-R240 HydrophobicContact CG-CB 4.47Å
227	H	96	Very high	94.1	Very high	44 Å²	44	68.5 Å²	68.5	20%	0.204	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	83.4	164.4	-63.7	-121.6	0	0	0	105.9	Y106 D238 L239	Y106-H227 AromaticContact CE1-NE2 3.6Å; Y106-H227 AromaticContact CZ-NE2 3.58Å; Y106-H227 PolarHBondContact OH-CE1 2.95Å; Y106-H227 PolarHBondContact OH-NE2 3.41Å; H227-D238 WeakPolarHBondContact O-CA 3.27Å; H227-L239 HydrophobicContact CB-CB 4.04Å; H227-L239 PolarHBondContact N-O 2.74Å; H227-L239 PolarHBondContact O-N 2.7Å; H227-L239 VanDerWaalsContact O-N 3.17Å
228	S	93.1	Very high	94.5	Very high	12 Å²	12	65 Å²	65	8%	0.084	32%	0.322	C	S	.	.	S	Bend	trans	-160.9	143.5	-171.9	174.9	0	0	0	0	108.9	I219 Y226 N230 D238	I219-S228 WeakPolarHBondContact CD1-O 3.47Å; Y226-S228 PolarHBondContact O-N 3.09Å; S228-N230 VanDerWaalsContact C-N 3.27Å; S228-N230 PolarHBondContact O-N 3.42Å; S228-N230 VanDerWaalsContact OG-C 3.29Å; S228-N230 PolarHBondContact OG-N 3.42Å; S228-N230 VanDerWaalsContact OG-N 3.14Å; S228-N230 PolarHBondContact OG-O 2.95Å; S228-D238 VanDerWaalsContact CB-CG 3.45Å; S228-D238 WeakPolarHBondContact CB-OD2 3.49Å; S228-D238 VanDerWaalsContact OG-CG 3.29Å; S228-D238 PolarHBondContact OG-OD2 3.05Å
229	E	90.9	Very high	94.7	Very high	188 Å²	188	64.7 Å²	64.7	88%	0.879	32%	0.32	S	S	*	.	S	Bend	trans	-66.1	-32.8	171	-62.9	-172.4	176.8	0	0	111.7
230	N	91.8	Very high	94.9	Very high	76 Å²	76	64.2 Å²	64.2	41%	0.406	31%	0.314	S	S	.	.			trans	-147.7	96.4	-179.7	-168.2	-19.1	0	0	0	112.7	S228 K232 Y233	S228-N230 VanDerWaalsContact C-N 3.27Å; S228-N230 PolarHBondContact O-N 3.42Å; S228-N230 VanDerWaalsContact OG-C 3.29Å; S228-N230 PolarHBondContact OG-N 3.42Å; S228-N230 VanDerWaalsContact OG-N 3.14Å; S228-N230 PolarHBondContact OG-O 2.95Å; N230-K232 PolarHBondContact O-N 3.48Å; N230-K232 VanDerWaalsContact OD1-CB 3.29Å; N230-K232 WeakPolarHBondContact OD1-CB 3.45Å; N230-K232 PolarHBondContact OD1-N 2.65Å; N230-Y233 CarbonylContact O-C 3.54Å; N230-Y233 VanDerWaalsContact O-C 3.22Å; N230-Y233 PolarHBondContact O-N 2.84Å
231	P	92	Very high	95.1	Very high	18 Å²	18	60.5 Å²	60.5	12%	0.117	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-16.7	-179.9	-27.3	35.7	0	0	0	115.2	I219 Y226	I219-P231 HydrophobicContact CB-CG 3.94Å; I219-P231 HydrophobicContact CD1-CG 4.04Å; I219-P231 HydrophobicContact CG2-CG 3.92Å; Y226-P231 HydrophobicContact CD1-CB 3.91Å; Y226-P231 HydrophobicContact CD1-CG 4.41Å; Y226-P231 HydrophobicContact CD2-CB 3.9Å; Y226-P231 HydrophobicContact CD2-CG 4.11Å; Y226-P231 HydrophobicContact CE1-CB 4.29Å; Y226-P231 HydrophobicContact CE2-CB 4.28Å; Y226-P231 HydrophobicContact CG-CB 3.69Å; Y226-P231 HydrophobicContact CG-CG 3.81Å
232	K	91.8	Very high	95.3	Very high	124 Å²	124	55 Å²	55	54%	0.539	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-27.7	176.3	-168.5	178.7	173.5	-171.5	0	112.1	N230	N230-K232 PolarHBondContact O-N 3.48Å; N230-K232 VanDerWaalsContact OD1-CB 3.29Å; N230-K232 WeakPolarHBondContact OD1-CB 3.45Å; N230-K232 PolarHBondContact OD1-N 2.65Å
233	Y	93.9	Very high	95.6	Very high	148 Å²	148	52.8 Å²	52.8	58%	0.58	26%	0.259	S	S	*	.	S	Bend	trans	-131.9	71.5	-178.4	-60	-76.4	0	0	0	108.3	N230	N230-Y233 CarbonylContact O-C 3.54Å; N230-Y233 VanDerWaalsContact O-C 3.22Å; N230-Y233 PolarHBondContact O-N 2.84Å
234	P	95.7	Very high	95.8	Very high	31 Å²	31	50.1 Å²	50.1	20%	0.201	25%	0.246	C	C	.	.			trans	-65	144.9	-174.6	28.4	-35.5	0	0	0	111.3	Y122 W151 D238	Y122-P234 HydrophobicContact CD1-CB 3.79Å; Y122-P234 HydrophobicContact CD1-CG 4Å; Y122-P234 WeakPolarHBondContact CD1-O 3.18Å; Y122-P234 HydrophobicContact CD2-CB 4.37Å; Y122-P234 HydrophobicContact CD2-CG 4.14Å; Y122-P234 HydrophobicContact CE1-CB 4.13Å; Y122-P234 HydrophobicContact CE1-CG 3.85Å; Y122-P234 WeakPolarHBondContact CE1-O 3.27Å; Y122-P234 HydrophobicContact CE2-CG 4.03Å; Y122-P234 HydrophobicContact CG-CB 3.91Å; Y122-P234 HydrophobicContact CG-CG 4.12Å; W151-P234 HydrophobicContact CH2-CB 4.29Å; W151-P234 HydrophobicContact CZ2-CB 3.69Å; W151-P234 HydrophobicContact CZ2-CG 4.14Å; P234-D238 VanDerWaalsContact CA-OD2 3.29Å; P234-D238 WeakPolarHBondContact CA-OD2 3.43Å; P234-D238 HydrophobicContact CB-CB 4.47Å
235	E	96.4	Very high	95.8	Very high	137 Å²	137	47.9 Å²	47.9	64%	0.64	24%	0.236	S	C	*	.			trans	-108.9	160.3	176.8	-61.6	-164.3	163.6	0	0	111.4	Y122 G237 D238	Y122-E235 WeakPolarHBondContact CD1-O 3.1Å; E235-G237 PolarHBondContact O-N 3.49Å; E235-G237 VanDerWaalsContact O-N 3.17Å; E235-D238 PolarHBondContact N-OD2 2.82Å; E235-D238 VanDerWaalsContact O-CB 3.27Å; E235-D238 WeakPolarHBondContact O-CB 3.37Å; E235-D238 PolarHBondContact O-N 2.98Å
236	V	96.9	Very high	95.9	Very high	50 Å²	50	47.9 Å²	47.9	30%	0.303	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	120.7	-177.8	170.1	0	0	0	0	109.9	Y122 W124 T149 K168	Y122-V236 CarbonylContact O-C 3.56Å; Y122-V236 WeakPolarHBondContact O-CA 3.39Å; W124-V236 HydrophobicContact CG-CG2 4.48Å; T149-V236 HydrophobicContact CG2-CG2 3.68Å; K168-V236 WeakPolarHBondContact O-CG1 3.38Å
237	G	96.7	Very high	95.8	Very high	26 Å²	26	46.6 Å²	46.6	27%	0.268	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.7	-13	-173.9	0	0	0	0	0	114.5	Y122 E235	Y122-G237 PolarHBondContact O-N 3.39Å; E235-G237 PolarHBondContact O-N 3.49Å; E235-G237 VanDerWaalsContact O-N 3.17Å
238	D	97.4	Very high	95.9	Very high	23 Å²	23	44.5 Å²	44.5	12%	0.123	22%	0.221	C	C	.	.			trans	-60	143.1	171.8	-75.2	-7	0	0	0	110.5	M121 Y122 W151 H227 S228 P234 E235	M121-D238 CarbonylContact C-O 3.48Å; M121-D238 WeakPolarHBondContact CA-O 3.42Å; Y122-D238 PolarHBondContact N-O 3.28Å; W151-D238 HydrophobicContact CH2-CB 4.05Å; W151-D238 VanDerWaalsContact CZ3-O 3.24Å; W151-D238 WeakPolarHBondContact CZ3-O 3.35Å; H227-D238 WeakPolarHBondContact O-CA 3.27Å; S228-D238 VanDerWaalsContact CB-CG 3.45Å; S228-D238 WeakPolarHBondContact CB-OD2 3.49Å; S228-D238 VanDerWaalsContact OG-CG 3.29Å; S228-D238 PolarHBondContact OG-OD2 3.05Å; P234-D238 VanDerWaalsContact CA-OD2 3.29Å; P234-D238 WeakPolarHBondContact CA-OD2 3.43Å; P234-D238 HydrophobicContact CB-CB 4.47Å; E235-D238 PolarHBondContact N-OD2 2.82Å; E235-D238 VanDerWaalsContact O-CB 3.27Å; E235-D238 WeakPolarHBondContact O-CB 3.37Å; E235-D238 PolarHBondContact O-N 2.98Å
239	L	97.6	Very high	96	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.026	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	144.5	177.4	-51.2	178.6	0	0	0	110.5	V119 E120 M121 M173 A174 V175 Y226 H227	V119-L239 HydrophobicContact CG1-CB 4.36Å; V119-L239 HydrophobicContact CG1-CD1 4.45Å; V119-L239 HydrophobicContact CG1-CD2 4.42Å; E120-L239 WeakPolarHBondContact O-CA 3.44Å; M121-L239 HydrophobicContact CB-CD2 3.6Å; M121-L239 HydrophobicContact CG-CD2 3.78Å; M121-L239 HydrophobicContact SD-CD2 4.34Å; M173-L239 HydrophobicContact CB-CD2 4.15Å; M173-L239 HydrophobicContact CG-CD2 4.15Å; M173-L239 HydrophobicContact SD-CD2 4.4Å; A174-L239 HydrophobicContact CB-CD1 4.1Å; V175-L239 HydrophobicContact CB-CD1 4.07Å; V175-L239 HydrophobicContact CG2-CD1 4.11Å; Y226-L239 CarbonylContact C-O 3.56Å; Y226-L239 WeakPolarHBondContact CA-O 3.46Å; H227-L239 HydrophobicContact CB-CB 4.04Å; H227-L239 PolarHBondContact N-O 2.74Å; H227-L239 PolarHBondContact O-N 2.7Å; H227-L239 VanDerWaalsContact O-N 3.17Å
240	R	97.4	Very high	96.1	Very high	50 Å²	50	37 Å²	37	19%	0.189	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	140.4	163.2	75	-178.9	-175.8	-171.2	-0.7	109.5	V119 E120 W151 F224 F225 Y226	V119-R240 WeakPolarHBondContact CA-O 3.49Å; E120-R240 HydrophobicContact CB-CG 4.08Å; E120-R240 PolarHBondContact N-O 3.15Å; E120-R240 PolarHBondContact O-N 3.49Å; E120-R240 IonicContact OE1-CZ 2.7Å; E120-R240 IonicContact OE1-NE 3.41Å; E120-R240 IonicContact OE1-NH2 3.8Å; E120-R240 PolarHBondContact OE1-NH2 2.93Å; E120-R240 IonicContact OE2-CZ 3.78Å; E120-R240 IonicContact OE2-NE 3.75Å; E120-R240 PolarHBondContact OE2-NE 3.38Å; E120-R240 IonicContact OE2-NH2 3.62Å; E120-R240 PolarHBondContact OE2-NH2 2.83Å; W151-R240 VanDerWaalsContact CB-CZ 3.45Å; W151-R240 VanDerWaalsContact CD1-NH1 3.25Å; W151-R240 HydrophobicContact CD2-CG 3.94Å; W151-R240 HydrophobicContact CE3-CB 4.1Å; W151-R240 HydrophobicContact CE3-CG 3.52Å; W151-R240 HydrophobicContact CH2-CB 3.86Å; W151-R240 HydrophobicContact CH2-CG 4.2Å; W151-R240 HydrophobicContact CZ2-CB 4.4Å; W151-R240 HydrophobicContact CZ3-CB 3.7Å; W151-R240 HydrophobicContact CZ3-CG 3.68Å; W151-R240 VanDerWaalsContact CZ3-N 3.25Å; F224-R240 HydrophobicContact CD1-CB 4.11Å; F224-R240 HydrophobicContact CD1-CG 3.95Å; F224-R240 HydrophobicContact CE1-CG 4.24Å; F225-R240 CarbonylContact O-C 3.56Å; F225-R240 WeakPolarHBondContact O-CA 3.39Å; Y226-R240 HydrophobicContact CD1-CB 3.72Å; Y226-R240 HydrophobicContact CE1-CB 3.59Å; Y226-R240 HydrophobicContact CG-CB 4.47Å
241	V	98.1	Very high	96.2	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	125.7	-172.7	-176.4	0	0	0	0	108.9	Y106 R117 H118 V119 F224 F225 F243	Y106-V241 HydrophobicContact CE1-CB 4.13Å; Y106-V241 HydrophobicContact CE1-CG1 4.1Å; Y106-V241 HydrophobicContact CE1-CG2 4.2Å; Y106-V241 HydrophobicContact CE2-CG1 4.39Å; R117-V241 HydrophobicContact CG-CG1 3.45Å; R117-V241 VanDerWaalsContact CG-CG1 3.45Å; H118-V241 WeakPolarHBondContact O-CA 3.37Å; V119-V241 HydrophobicContact CG1-CG2 4.24Å; V119-V241 HydrophobicContact CG2-CG1 4.33Å; V119-V241 HydrophobicContact CG2-CG2 4.08Å; F224-V241 CarbonylContact C-O 3.58Å; F224-V241 VanDerWaalsContact CA-O 3.28Å; F224-V241 WeakPolarHBondContact CA-O 3.37Å; F225-V241 HydrophobicContact CB-CB 4.33Å; F225-V241 PolarHBondContact N-O 3.49Å; F225-V241 PolarHBondContact O-N 3.03Å; V241-F243 HydrophobicContact CG1-CE2 3.85Å; V241-F243 HydrophobicContact CG1-CZ 4.12Å
242	S	98.1	Very high	96.2	Very high	23 Å²	23	39.8 Å²	39.8	16%	0.161	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	158	173.8	57.3	0	0	0	0	110.5	H118	H118-S242 PolarHBondContact N-O 3.29Å; H118-S242 PolarHBondContact O-N 3.31Å
243	F	98.3	Very high	96	Very high	4 Å²	4	40 Å²	40	2%	0.018	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	147.1	-179.8	-71.1	-88.5	0	0	0	110.9	D103 Y106 V108 L115 R116 R117 L206 L208 F225 V241	D103-F243 HydrophobicContact CB-CE1 3.8Å; D103-F243 HydrophobicContact CB-CZ 4.19Å; D103-F243 WeakPolarHBondContact OD2-CE1 3.37Å; D103-F243 WeakPolarHBondContact OD2-CZ 3.42Å; Y106-F243 HydrophobicContact CD1-CE2 4.18Å; Y106-F243 HydrophobicContact CD1-CZ 4.38Å; Y106-F243 HydrophobicContact CD2-CE2 4.22Å; Y106-F243 AromaticContact CD2-CZ 3.6Å; Y106-F243 HydrophobicContact CD2-CZ 3.6Å; Y106-F243 HydrophobicContact CE2-CZ 4.35Å; Y106-F243 AromaticContact CG-CE2 3.79Å; Y106-F243 HydrophobicContact CG-CE2 3.79Å; Y106-F243 AromaticContact CG-CZ 3.6Å; Y106-F243 HydrophobicContact CG-CZ 3.6Å; V108-F243 HydrophobicContact CB-CE1 4.44Å; V108-F243 HydrophobicContact CG1-CD1 4.31Å; V108-F243 HydrophobicContact CG2-CD1 4.23Å; V108-F243 HydrophobicContact CG2-CD2 3.89Å; V108-F243 HydrophobicContact CG2-CE1 4.19Å; V108-F243 HydrophobicContact CG2-CE2 3.86Å; V108-F243 HydrophobicContact CG2-CG 4.07Å; V108-F243 HydrophobicContact CG2-CZ 4.01Å; L115-F243 HydrophobicContact CD1-CB 4.49Å; L115-F243 HydrophobicContact CD1-CD1 3.9Å; R116-F243 CarbonylContact O-C 3.59Å; R116-F243 WeakPolarHBondContact O-CA 3.47Å; R117-F243 HydrophobicContact CB-CD1 4.13Å; R117-F243 HydrophobicContact CB-CE1 3.69Å; R117-F243 HydrophobicContact CB-CZ 4.3Å; R117-F243 HydrophobicContact CG-CD1 4.48Å; R117-F243 HydrophobicContact CG-CE1 3.83Å; R117-F243 HydrophobicContact CG-CZ 3.92Å; L206-F243 HydrophobicContact CB-CB 3.91Å; L206-F243 HydrophobicContact CD2-CB 3.88Å; L206-F243 HydrophobicContact CG-CB 4.46Å; L206-F243 PolarHBondContact N-O 3.45Å; L208-F243 HydrophobicContact CD2-CD2 4.11Å; F225-F243 HydrophobicContact CD2-CD2 4.4Å; F225-F243 AromaticContact CD2-CE2 3.91Å; F225-F243 HydrophobicContact CD2-CE2 3.91Å; F225-F243 HydrophobicContact CE2-CD2 4.42Å; F225-F243 HydrophobicContact CE2-CE2 4.05Å; V241-F243 HydrophobicContact CG1-CE2 3.85Å; V241-F243 HydrophobicContact CG1-CZ 4.12Å
244	S	98.2	Very high	95.8	Very high	10 Å²	10	37.4 Å²	37.4	7%	0.07	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155.4	170.9	52.2	0	0	0	0	110.3	R116 K204	R116-S244 PolarHBondContact N-O 3.41Å; R116-S244 PolarHBondContact NE-OG 3.5Å; R116-S244 PolarHBondContact NH2-OG 2.88Å; R116-S244 VanDerWaalsContact NH2-OG 3.1Å; R116-S244 PolarHBondContact O-N 2.86Å; K204-S244 CarbonylContact O-C 3.51Å; K204-S244 WeakPolarHBondContact O-CA 3.2Å; K204-S244 WeakPolarHBondContact O-CB 3.33Å
245	Y	97.8	Very high	95.6	Very high	9 Å²	9	37.6 Å²	37.6	4%	0.035	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	152.1	-177	68.3	-81.5	0	0	0	111.7	L110 A112 K114 F203 K204 L206 L248 L255	L110-Y245 HydrophobicContact CD1-CD1 4.02Å; L110-Y245 HydrophobicContact CD1-CD2 3.97Å; L110-Y245 HydrophobicContact CD1-CG 3.58Å; A112-Y245 HydrophobicContact CB-CD2 4.42Å; K114-Y245 CarbonylContact O-C 3.47Å; K114-Y245 VanDerWaalsContact O-CA 3.22Å; K114-Y245 WeakPolarHBondContact O-CA 3.42Å; F203-Y245 CarbonylContact C-O 2.96Å; F203-Y245 VanDerWaalsContact CA-O 3.28Å; F203-Y245 WeakPolarHBondContact CA-O 3.46Å; K204-Y245 HydrophobicContact CB-CE1 4.02Å; K204-Y245 PolarHBondContact N-O 3.38Å; K204-Y245 WeakPolarHBondContact O-CD1 3.37Å; K204-Y245 PolarHBondContact O-N 3.3Å; L206-Y245 HydrophobicContact CB-CD1 4.13Å; L206-Y245 HydrophobicContact CD1-CD1 4.16Å; L206-Y245 HydrophobicContact CD1-CE1 4.23Å; Y245-L248 HydrophobicContact CD2-CD1 4.26Å; Y245-L248 HydrophobicContact CE2-CB 4.08Å; Y245-L248 HydrophobicContact CE2-CD1 3.95Å; Y245-L248 HydrophobicContact CE2-CG 4.5Å; Y245-L255 HydrophobicContact CE1-CD1 4.25Å; Y245-L255 HydrophobicContact CE1-CD2 3.98Å; Y245-L255 HydrophobicContact CE2-CD1 4.43Å
246	A	97.9	Very high	95.4	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	144.2	175.5	0	0	0	0	0	110.4	V113 K114 V200 F203	V113-A246 PolarHBondContact N-O 3.11Å; V113-A246 VanDerWaalsContact N-O 3.12Å; K114-A246 HydrophobicContact CB-CB 4.27Å; K114-A246 PolarHBondContact N-O 3.29Å; K114-A246 PolarHBondContact O-N 3.36Å; V200-A246 HydrophobicContact CG1-CB 4.06Å; F203-A246 HydrophobicContact CD1-CB 3.98Å; F203-A246 HydrophobicContact CD2-CB 4.38Å; F203-A246 HydrophobicContact CE1-CB 4.09Å; F203-A246 HydrophobicContact CE2-CB 4.48Å; F203-A246 HydrophobicContact CG-CB 4.13Å; F203-A246 HydrophobicContact CZ-CB 4.35Å
247	G	96.7	Very high	95.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.6	68.8	-178.3	0	0	0	0	0	114.6	A112 V113 N202 S249	A112-G247 CarbonylContact C-O 3.47Å; A112-G247 WeakPolarHBondContact CA-O 3.42Å; V113-G247 WeakPolarHBondContact CG2-O 3.38Å; V113-G247 PolarHBondContact N-O 2.83Å; N202-G247 PolarHBondContact OD1-N 3.43Å; G247-S249 PolarHBondContact O-N 3.42Å
248	L	97.1	Very high	95.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	131.1	172.5	-166.9	71.9	0	0	0	109.9	P111 Y245 S250 D252 L255 G256 H259	P111-L248 WeakPolarHBondContact O-CD1 3.37Å; Y245-L248 HydrophobicContact CD2-CD1 4.26Å; Y245-L248 HydrophobicContact CE2-CB 4.08Å; Y245-L248 HydrophobicContact CE2-CD1 3.95Å; Y245-L248 HydrophobicContact CE2-CG 4.5Å; L248-S250 WeakPolarHBondContact CD2-O 3.25Å; L248-S250 WeakPolarHBondContact CG-O 3.25Å; L248-D252 HydrophobicContact CD2-CB 4.24Å; L248-L255 HydrophobicContact CD1-CB 4.05Å; L248-L255 HydrophobicContact CD1-CD1 3.81Å; L248-L255 HydrophobicContact CD2-CB 3.79Å; L248-G256 VanDerWaalsContact CD2-O 3.29Å; L248-G256 WeakPolarHBondContact CD2-O 3.46Å; L248-H259 PolarHBondContact N-ND1 3.45Å; L248-H259 VanDerWaalsContact N-ND1 3.13Å; L248-H259 PolarHBondContact O-N 3.24Å
249	S	95.6	Very high	95.2	Very high	5 Å²	5	33.5 Å²	33.5	4%	0.035	20%	0.199	C	C	.	.			trans	-110.1	-3.7	-168.2	68.2	0	0	0	0	114.8	L95 R96 T97 P111 A112 G247	L95-S249 CarbonylContact O-C 3.59Å; L95-S249 WeakPolarHBondContact O-CA 3.41Å; L95-S249 VanDerWaalsContact O-O 3.13Å; R96-S249 WeakPolarHBondContact CD-O 3.3Å; R96-S249 PolarHBondContact NH1-O 2.97Å; T97-S249 PolarHBondContact OG1-OG 2.85Å; P111-S249 WeakPolarHBondContact CA-OG 3.24Å; P111-S249 VanDerWaalsContact CB-OG 3.27Å; P111-S249 WeakPolarHBondContact CB-OG 3.4Å; P111-S249 PolarHBondContact O-N 3.28Å; P111-S249 PolarHBondContact O-OG 3.29Å; P111-S249 VanDerWaalsContact O-OG 3.1Å; A112-S249 PolarHBondContact N-OG 3.16Å; G247-S249 PolarHBondContact O-N 3.42Å
250	S	93.6	Very high	95.2	Very high	39 Å²	39	37.1 Å²	37.1	27%	0.273	22%	0.217	S	C	.	.	S	Bend	trans	-144	163.3	167	68.5	0	0	0	0	110.8	P111 L248 D252	P111-S250 WeakPolarHBondContact CB-OG 3.34Å; P111-S250 WeakPolarHBondContact CG-OG 3.2Å; L248-S250 WeakPolarHBondContact CD2-O 3.25Å; L248-S250 WeakPolarHBondContact CG-O 3.25Å; S250-D252 PolarHBondContact O-N 3.32Å
251	D	93.4	Very high	95.2	Very high	111 Å²	111	34.8 Å²	34.8	59%	0.594	21%	0.208	S	C	*	.			trans	-65.3	131.1	171.2	-55.4	-20.5	0	0	0	107.7	P257 A258	D251-P257 WeakPolarHBondContact OD1-CA 3.42Å; D251-A258 PolarHBondContact OD1-N 3.17Å
252	D	91.1	Very high	95.2	Very high	41 Å²	41	34.8 Å²	34.8	22%	0.219	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-129.3	131.1	-179.7	-175.2	-75.9	0	0	0	107.6	L248 S250 D254 L255 G256	L248-D252 HydrophobicContact CD2-CB 4.24Å; S250-D252 PolarHBondContact O-N 3.32Å; D252-D254 PolarHBondContact O-N 2.66Å; D252-D254 VanDerWaalsContact O-N 3.08Å; D252-D254 WeakPolarHBondContact OD1-CA 3.43Å; D252-D254 WeakPolarHBondContact OD1-CB 3.48Å; D252-D254 PolarHBondContact OD1-N 2.83Å; D252-L255 HydrophobicContact CB-CB 3.92Å; D252-L255 HydrophobicContact CB-CG 4.38Å; D252-L255 PolarHBondContact OD1-N 2.58Å; D252-G256 PolarHBondContact N-O 2.85Å; D252-G256 CarbonylContact O-C 3.47Å; D252-G256 WeakPolarHBondContact O-CA 3.34Å; D252-G256 PolarHBondContact O-N 2.91Å
253	P	88.7	Confident	95.2	Very high	128 Å²	128	33.7 Å²	33.7	83%	0.831	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.1	-178.8	-26.3	35.1	0	0	0	114.1
254	D	88.4	Confident	95.2	Very high	94 Å²	94	33.6 Å²	33.6	50%	0.503	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-36.2	-172.5	-61.3	-33.1	0	0	0	112.5	K210 D252	K210-D254 WeakPolarHBondContact CD-OD2 3.37Å; K210-D254 WeakPolarHBondContact CE-OD1 3.33Å; K210-D254 WeakPolarHBondContact CE-OD2 3.31Å; K210-D254 IonicContact NZ-OD1 3.43Å; K210-D254 PolarHBondContact NZ-OD1 2.91Å; K210-D254 IonicContact NZ-OD2 2.69Å; K210-D254 PolarHBondContact NZ-OD2 3.41Å; D252-D254 PolarHBondContact O-N 2.66Å; D252-D254 VanDerWaalsContact O-N 3.08Å; D252-D254 WeakPolarHBondContact OD1-CA 3.43Å; D252-D254 WeakPolarHBondContact OD1-CB 3.48Å; D252-D254 PolarHBondContact OD1-N 2.83Å
255	L	91.4	Very high	95.2	Very high	35 Å²	35	33.1 Å²	33.1	18%	0.183	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-12.4	-177.4	-52.5	-179.9	0	0	0	113.2	L110 L206 Y245 L248 D252	L110-L255 HydrophobicContact CD1-CD1 3.81Å; L206-L255 HydrophobicContact CD1-CD1 4Å; L206-L255 HydrophobicContact CD1-CD2 3.76Å; Y245-L255 HydrophobicContact CE1-CD1 4.25Å; Y245-L255 HydrophobicContact CE1-CD2 3.98Å; Y245-L255 HydrophobicContact CE2-CD1 4.43Å; L248-L255 HydrophobicContact CD1-CB 4.05Å; L248-L255 HydrophobicContact CD1-CD1 3.81Å; L248-L255 HydrophobicContact CD2-CB 3.79Å; D252-L255 HydrophobicContact CB-CB 3.92Å; D252-L255 HydrophobicContact CB-CG 4.38Å; D252-L255 PolarHBondContact OD1-N 2.58Å
256	G	92.9	Very high	95.3	Very high	26 Å²	26	36 Å²	36	27%	0.268	21%	0.208	S	C	.	.	B	Isolated β-bridge	trans	95.4	-166.6	178	0	0	0	0	0	113.9	L248 D252	L248-G256 VanDerWaalsContact CD2-O 3.29Å; L248-G256 WeakPolarHBondContact CD2-O 3.46Å; D252-G256 PolarHBondContact N-O 2.85Å; D252-G256 CarbonylContact O-C 3.47Å; D252-G256 WeakPolarHBondContact O-CA 3.34Å; D252-G256 PolarHBondContact O-N 2.91Å
257	P	95.1	Very high	95.3	Very high	95 Å²	95	36 Å²	36	62%	0.617	21%	0.208	S	C	*	.	S	Bend	trans	-71.1	158.1	-178	30.4	-35.5	0	0	0	112.1	D251 H259	D251-P257 WeakPolarHBondContact OD1-CA 3.42Å; P257-H259 PolarHBondContact O-N 2.87Å
258	A	95.8	Very high	95.3	Very high	8 Å²	8	43.1 Å²	43.1	7%	0.066	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-51.4	134.6	172.8	0	0	0	0	0	110.9	A94 D251 M260	A94-A258 HydrophobicContact CB-CB 3.98Å; D251-A258 PolarHBondContact OD1-N 3.17Å; A258-M260 PolarHBondContact O-N 2.96Å
259	H	96.6	Very high	95.3	Very high	21 Å²	21	44.6 Å²	44.6	10%	0.097	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-69.5	122.5	-176.8	-73.7	176.4	0	0	0	110.6	L95 K204 L248 P257	L95-H259 HydrophobicContact CD1-CB 4.42Å; L95-H259 PolarHBondContact N-O 3.47Å; K204-H259 PolarHBondContact NZ-NE2 3.43Å; L248-H259 PolarHBondContact N-ND1 3.45Å; L248-H259 VanDerWaalsContact N-ND1 3.13Å; L248-H259 PolarHBondContact O-N 3.24Å; P257-H259 PolarHBondContact O-N 2.87Å
260	M	96.5	Very high	95.4	Very high	81 Å²	81	47.6 Å²	47.6	40%	0.399	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	140.1	172.2	-64.8	-68.4	-68.7	0	0	110.4	I92 A94 A258 G289	I92-M260 HydrophobicContact CG2-CE 3.95Å; A94-M260 VanDerWaalsContact CA-SD 3.55Å; A94-M260 HydrophobicContact CB-SD 3.69Å; A94-M260 PolarHBondContact N-SD 3.03Å; A258-M260 PolarHBondContact O-N 2.96Å; M260-G289 PolarHBondContact O-N 3.08Å
261	V	97.9	Very high	95.6	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	154.6	172.4	-60.5	0	0	0	0	110.7	I92 G93 L95 I187 V263 L286 H287 G289	I92-V261 WeakPolarHBondContact CA-O 3.29Å; G93-V261 PolarHBondContact N-O 2.97Å; G93-V261 PolarHBondContact O-N 2.98Å; L95-V261 HydrophobicContact CD1-CG1 3.76Å; L95-V261 HydrophobicContact CD2-CG1 4.35Å; L95-V261 HydrophobicContact CD2-CG2 3.72Å; L95-V261 HydrophobicContact CG-CG1 3.98Å; L95-V261 HydrophobicContact CG-CG2 3.95Å; I187-V261 HydrophobicContact CD1-CG2 3.4Å; I187-V261 VanDerWaalsContact CD1-CG2 3.4Å; I187-V261 HydrophobicContact CG1-CG2 4.17Å; V261-V263 HydrophobicContact CG2-CG2 4.11Å; V261-L286 HydrophobicContact CB-CD2 4.44Å; V261-L286 HydrophobicContact CB-CG 4.41Å; V261-L286 HydrophobicContact CG1-CD2 4.22Å; V261-H287 CarbonylContact C-O 3.55Å; V261-H287 VanDerWaalsContact CA-O 3.29Å; V261-H287 WeakPolarHBondContact CA-O 3.44Å; V261-H287 WeakPolarHBondContact CB-O 3.48Å; V261-G289 CarbonylContact C-O 3.58Å; V261-G289 VanDerWaalsContact C-O 3.3Å
262	T	98.3	Very high	95.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	124.9	170.4	-59.7	0	0	0	0	108.5	H90 I91 I92 L286 H287 G289 F291 V296	H90-T262 VanDerWaalsContact NE2-CG2 3.27Å; H90-T262 WeakPolarHBondContact NE2-CG2 3.34Å; I91-T262 CarbonylContact O-C 3.43Å; I91-T262 WeakPolarHBondContact O-CA 3.48Å; I92-T262 HydrophobicContact CG1-CG2 4.08Å; T262-L286 CarbonylContact O-C 3.56Å; T262-L286 WeakPolarHBondContact O-CA 3.28Å; T262-H287 PolarHBondContact N-O 3.06Å; T262-H287 PolarHBondContact O-N 3.5Å; T262-G289 PolarHBondContact N-O 3.24Å; T262-G289 VanDerWaalsContact N-O 3.1Å; T262-G289 PolarHBondContact OG1-O 2.85Å; T262-F291 HydrophobicContact CG2-CB 4.46Å; T262-F291 WeakPolarHBondContact CG2-O 3.43Å; T262-F291 PolarHBondContact OG1-N 3.35Å; T262-V296 HydrophobicContact CG2-CG2 3.7Å
263	V	98.4	Very high	96.1	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.1	-178.2	176.7	0	0	0	0	109.7	H90 I91 I187 L196 V261 A265 L272 L285 L286	H90-V263 WeakPolarHBondContact CA-O 3.47Å; I91-V263 PolarHBondContact N-O 3.4Å; I91-V263 PolarHBondContact O-N 3.2Å; I187-V263 HydrophobicContact CD1-CB 4.45Å; I187-V263 HydrophobicContact CD1-CG2 3.61Å; L196-V263 HydrophobicContact CD1-CG1 3.82Å; L196-V263 HydrophobicContact CD2-CG1 3.83Å; V261-V263 HydrophobicContact CG2-CG2 4.11Å; V263-A265 HydrophobicContact CG1-CB 3.92Å; V263-L272 HydrophobicContact CB-CD1 4.41Å; V263-L272 HydrophobicContact CG1-CD1 3.86Å; V263-L285 WeakPolarHBondContact CA-O 3.49Å; V263-L286 HydrophobicContact CG2-CD1 4.09Å; V263-L286 HydrophobicContact CG2-CG 4.18Å
264	I	98.5	Very high	96.6	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	110.9	167.8	-57.4	-178.9	0	0	0	108.4	V71 L88 V89 H90 L285 A293 V296 F297	V71-I264 HydrophobicContact CG2-CG2 4.07Å; L88-I264 HydrophobicContact CD1-CG2 3.85Å; L88-I264 HydrophobicContact CD2-CG2 3.89Å; L88-I264 HydrophobicContact CG-CG2 3.74Å; V89-I264 VanDerWaalsContact O-CA 3.31Å; V89-I264 WeakPolarHBondContact O-CA 3.42Å; H90-I264 HydrophobicContact CB-CG1 4.21Å; I264-L285 HydrophobicContact CB-CB 4.13Å; I264-L285 HydrophobicContact CB-CD1 4.25Å; I264-L285 HydrophobicContact CB-CG 4.47Å; I264-L285 PolarHBondContact N-O 2.78Å; I264-L285 PolarHBondContact O-N 3.1Å; I264-A293 HydrophobicContact CD1-CB 4.35Å; I264-V296 HydrophobicContact CD1-CB 3.78Å; I264-V296 HydrophobicContact CD1-CG1 3.61Å; I264-V296 HydrophobicContact CD1-CG2 4.35Å; I264-V296 HydrophobicContact CG1-CG1 4.31Å; I264-F297 HydrophobicContact CD1-CD2 4.04Å; I264-F297 HydrophobicContact CD1-CE2 3.6Å; I264-F297 HydrophobicContact CD1-CZ 4.14Å; I264-F297 HydrophobicContact CG2-CE2 4.32Å; I264-F297 HydrophobicContact CG2-CZ 4.02Å
265	A	98.4	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	167.6	-172.6	0	0	0	0	0	110.8	V89 L196 V263 L272 L284	V89-A265 WeakPolarHBondContact CG2-O 3.4Å; V89-A265 PolarHBondContact N-O 2.87Å; V89-A265 PolarHBondContact O-N 3.04Å; V89-A265 VanDerWaalsContact O-N 3.15Å; L196-A265 HydrophobicContact CD1-CB 4.29Å; V263-A265 HydrophobicContact CG1-CB 3.92Å; A265-L272 HydrophobicContact CB-CB 3.95Å; A265-L284 HydrophobicContact CB-CD1 4.01Å
266	R	98.3	Very high	97.3	Very high	71 Å²	71	39.6 Å²	39.6	27%	0.268	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	132.3	174	-169.6	170.9	61.8	92.5	-5.1	110.1	G86 R87 V273 P274 F275	G86-R266 WeakPolarHBondContact O-CD 3.33Å; G86-R266 WeakPolarHBondContact O-CG 3.47Å; R87-R266 WeakPolarHBondContact O-CA 3.32Å; R266-V273 HydrophobicContact CB-CG2 4.1Å; R266-V273 WeakPolarHBondContact CB-O 3.49Å; R266-V273 PolarHBondContact N-O 3.06Å; R266-V273 PolarHBondContact O-N 3.21Å; R266-P274 PolarHBondContact NE-O 3.44Å; R266-F275 HydrophobicContact CB-CB 3.91Å; R266-F275 HydrophobicContact CB-CD2 3.98Å; R266-F275 HydrophobicContact CB-CG 4.47Å; R266-F275 HydrophobicContact CG-CD2 3.99Å
267	Q	98.2	Very high	97.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	128.9	167.9	-175.9	-178.4	-52.8	0	0	109.9	A81 G86 R87 V89 F190 G269	A81-Q267 PolarHBondContact O-NE2 3.18Å; G86-Q267 WeakPolarHBondContact CA-O 3.12Å; G86-Q267 PolarHBondContact N-O 2.78Å; R87-Q267 PolarHBondContact O-N 2.89Å; V89-Q267 HydrophobicContact CG1-CB 4.04Å; V89-Q267 HydrophobicContact CG2-CB 4.15Å; F190-Q267 HydrophobicContact CE1-CG 4.06Å; Q267-G269 WeakPolarHBondContact CG-O 3.11Å
268	R	97.9	Very high	97.3	Very high	149 Å²	149	43.5 Å²	43.5	56%	0.562	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.3	96	168.2	-176.3	-170.9	-178.2	-178.5	-0.3	108.8	E85 D270 Q271 V273	E85-R268 VanDerWaalsContact OE1-CA 3.31Å; E85-R268 WeakPolarHBondContact OE1-CA 3.43Å; R268-D270 PolarHBondContact O-N 3.22Å; R268-Q271 PolarHBondContact N-O 2.95Å; R268-Q271 WeakPolarHBondContact O-CB 3.44Å; R268-Q271 PolarHBondContact O-N 3.34Å; R268-V273 HydrophobicContact CB-CG2 3.85Å
269	G	96.8	Very high	96.9	Very high	30 Å²	30	45.2 Å²	45.2	31%	0.309	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	-124.2	-164.1	0	0	0	0	0	110.1	V80 E85 Q267 Q271	V80-G269 WeakPolarHBondContact CG1-O 3.4Å; E85-G269 VanDerWaalsContact CD-N 3.35Å; E85-G269 PolarHBondContact OE1-N 3.34Å; E85-G269 WeakPolarHBondContact OE2-CA 3.39Å; E85-G269 PolarHBondContact OE2-N 3.16Å; Q267-G269 WeakPolarHBondContact CG-O 3.11Å; G269-Q271 VanDerWaalsContact C-N 3.34Å
270	D	96.2	Very high	96.4	Very high	69 Å²	69	46.4 Å²	46.4	37%	0.369	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	3.7	175	63.7	-11.4	0	0	0	113.7	V80 F190 F191 R268	V80-D270 HydrophobicContact CG2-CB 4.07Å; F190-D270 CarbonylContact C-O 3.56Å; F190-D270 VanDerWaalsContact CA-O 3.22Å; F190-D270 WeakPolarHBondContact CA-O 3.46Å; F191-D270 HydrophobicContact CD2-CB 4.3Å; F191-D270 WeakPolarHBondContact CD2-OD2 3.38Å; F191-D270 WeakPolarHBondContact CE2-OD2 3.45Å; F191-D270 PolarHBondContact N-O 3.31Å; R268-D270 PolarHBondContact O-N 3.22Å
271	Q	97.8	Very high	96.2	Very high	92 Å²	92	44.1 Å²	44.1	43%	0.43	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	141.5	-178.3	-59.8	-170.2	-14.7	0	0	112.9	R268 G269 V273	R268-Q271 PolarHBondContact N-O 2.95Å; R268-Q271 WeakPolarHBondContact O-CB 3.44Å; R268-Q271 PolarHBondContact O-N 3.34Å; G269-Q271 VanDerWaalsContact C-N 3.34Å; Q271-V273 HydrophobicContact CB-CG1 3.94Å
272	L	98.3	Very high	96	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	106.2	171.2	-59.5	-179.8	0	0	0	109.8	V89 I91 F190 F191 S193 L196 V263 A265	V89-L272 HydrophobicContact CG2-CD2 3.78Å; I91-L272 HydrophobicContact CD1-CD1 3.87Å; I91-L272 HydrophobicContact CD1-CD2 3.61Å; I91-L272 HydrophobicContact CD1-CG 4.35Å; F190-L272 HydrophobicContact CB-CD1 3.87Å; F190-L272 HydrophobicContact CB-CD2 4.24Å; F190-L272 HydrophobicContact CB-CG 3.89Å; F190-L272 HydrophobicContact CD1-CD2 3.95Å; F190-L272 HydrophobicContact CD1-CG 4.47Å; F190-L272 HydrophobicContact CG-CD2 4.3Å; F190-L272 HydrophobicContact CG-CG 4.49Å; F191-L272 PolarHBondContact O-N 2.98Å; S193-L272 WeakPolarHBondContact CB-O 3.49Å; S193-L272 PolarHBondContact N-O 3.01Å; S193-L272 VanDerWaalsContact N-O 3.17Å; S193-L272 PolarHBondContact OG-O 3.41Å; L196-L272 HydrophobicContact CD1-CB 3.62Å; L196-L272 WeakPolarHBondContact CD1-O 3.48Å; V263-L272 HydrophobicContact CB-CD1 4.41Å; V263-L272 HydrophobicContact CG1-CD1 3.86Å; A265-L272 HydrophobicContact CB-CB 3.95Å
273	V	98.3	Very high	96	Very high	15 Å²	15	48.8 Å²	48.8	9%	0.091	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	166.2	-170.3	-59.5	0	0	0	0	111.5	R266 R268 Q271 F275	R266-V273 HydrophobicContact CB-CG2 4.1Å; R266-V273 WeakPolarHBondContact CB-O 3.49Å; R266-V273 PolarHBondContact N-O 3.06Å; R266-V273 PolarHBondContact O-N 3.21Å; R268-V273 HydrophobicContact CB-CG2 3.85Å; Q271-V273 HydrophobicContact CB-CG1 3.94Å; V273-F275 PolarHBondContact O-N 2.94Å
274	P	98.3	Very high	96	Very high	58 Å²	58	49.5 Å²	49.5	38%	0.377	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-56.2	138.5	176.9	-25.2	33.7	0	0	0	113.1	R266 L284	R266-P274 PolarHBondContact NE-O 3.44Å; P274-L284 HydrophobicContact CG-CD1 4.23Å; P274-L284 HydrophobicContact CG-CD2 4.16Å
275	F	97.7	Very high	96	Very high	25 Å²	25	50.1 Å²	50.1	11%	0.11	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	121.1	170.9	-177	-95.5	0	0	0	109.9	L70 L88 R266 V273 T277 T282 L283	L70-F275 HydrophobicContact CD1-CE1 4.19Å; L70-F275 HydrophobicContact CD1-CZ 3.85Å; L88-F275 HydrophobicContact CB-CD2 4.18Å; L88-F275 HydrophobicContact CB-CE2 4.36Å; L88-F275 HydrophobicContact CB-CG 4.4Å; L88-F275 HydrophobicContact CD1-CB 3.53Å; L88-F275 HydrophobicContact CD1-CD1 4.15Å; L88-F275 HydrophobicContact CD1-CD2 4.19Å; L88-F275 HydrophobicContact CD1-CG 3.7Å; R266-F275 HydrophobicContact CB-CB 3.91Å; R266-F275 HydrophobicContact CB-CD2 3.98Å; R266-F275 HydrophobicContact CB-CG 4.47Å; R266-F275 HydrophobicContact CG-CD2 3.99Å; V273-F275 PolarHBondContact O-N 2.94Å; F275-T277 HydrophobicContact CD1-CG2 4.11Å; F275-T277 HydrophobicContact CE1-CG2 4.22Å; F275-T282 CarbonylContact O-C 3.59Å; F275-T282 VanDerWaalsContact O-CA 3.25Å; F275-T282 WeakPolarHBondContact O-CA 3.33Å; F275-L283 HydrophobicContact CB-CB 4.27Å; F275-L283 HydrophobicContact CD1-CD1 4.22Å; F275-L283 PolarHBondContact N-O 2.84Å; F275-L283 PolarHBondContact O-N 2.84Å
276	S	96.4	Very high	95.9	Very high	89 Å²	89	50.9 Å²	50.9	62%	0.622	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	121.2	175.3	-61	0	0	0	0	110.2
277	T	95.3	Very high	95.9	Very high	10 Å²	10	49 Å²	49	6%	0.061	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-80.9	157.3	175.1	69.3	0	0	0	0	110.9	S63 E66 F275 S279 G280 D281 L283	S63-T277 WeakPolarHBondContact CB-OG1 3.38Å; S63-T277 PolarHBondContact OG-OG1 3.38Å; E66-T277 WeakPolarHBondContact OE2-CB 3.16Å; F275-T277 HydrophobicContact CD1-CG2 4.11Å; F275-T277 HydrophobicContact CE1-CG2 4.22Å; T277-S279 PolarHBondContact O-N 3.19Å; T277-G280 PolarHBondContact O-N 2.69Å; T277-G280 PolarHBondContact OG1-N 2.77Å; T277-G280 VanDerWaalsContact OG1-N 3.16Å; T277-D281 PolarHBondContact N-O 3.24Å; T277-D281 PolarHBondContact OG1-N 3.08Å; T277-D281 VanDerWaalsContact OG1-N 3.15Å; T277-D281 PolarHBondContact OG1-O 2.93Å; T277-L283 HydrophobicContact CG2-CD1 3.79Å; T277-L283 HydrophobicContact CG2-CD2 4.36Å; T277-L283 HydrophobicContact CG2-CG 3.68Å
278	K	92.8	Very high	95.8	Very high	193 Å²	193	52 Å²	52	84%	0.839	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-31.2	172.1	-65.8	174.3	-175.7	177.4	0	111.6	E66 G280	E66-K278 WeakPolarHBondContact OE1-CG 3.39Å; E66-K278 PolarHBondContact OE1-N 3.21Å; E66-K278 PolarHBondContact OE2-N 3.47Å; K278-G280 PolarHBondContact O-N 2.93Å
279	S	87.1	Confident	95.7	Very high	45 Å²	45	45.8 Å²	45.8	32%	0.315	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-12	173.3	-65.2	0	0	0	0	113.5	K59 T62 S63 E66 T277	K59-S279 WeakPolarHBondContact CE-O 3.07Å; K59-S279 VanDerWaalsContact CG-O 3.24Å; K59-S279 WeakPolarHBondContact CG-O 3.29Å; T62-S279 WeakPolarHBondContact CB-OG 3.4Å; T62-S279 PolarHBondContact OG1-OG 3.34Å; S63-S279 WeakPolarHBondContact OG-CB 3.45Å; E66-S279 PolarHBondContact OE2-N 3.11Å; T277-S279 PolarHBondContact O-N 3.19Å
280	G	87.3	Confident	95.6	Very high	45 Å²	45	50 Å²	50	46%	0.464	28%	0.283	S	S	.	.	S	Bend	trans	95.4	4.5	167.7	0	0	0	0	0	115.8	K59 T277 K278	K59-G280 VanDerWaalsContact CE-O 3.31Å; K59-G280 WeakPolarHBondContact CE-O 3.42Å; K59-G280 PolarHBondContact NZ-O 2.82Å; T277-G280 PolarHBondContact O-N 2.69Å; T277-G280 PolarHBondContact OG1-N 2.77Å; T277-G280 VanDerWaalsContact OG1-N 3.16Å; K278-G280 PolarHBondContact O-N 2.93Å
281	D	91.6	Very high	95.7	Very high	34 Å²	34	48.2 Å²	48.2	18%	0.182	27%	0.273	C	S	.	.			trans	-91.5	164.5	166.6	-71.8	-15.6	0	0	0	110.2	K59 T60 S63 T277	K59-D281 VanDerWaalsContact CD-OD1 3.26Å; K59-D281 WeakPolarHBondContact CD-OD1 3.4Å; K59-D281 WeakPolarHBondContact CE-OD1 3.34Å; K59-D281 IonicContact NZ-OD1 3.16Å; K59-D281 PolarHBondContact NZ-OD1 2.78Å; T60-D281 WeakPolarHBondContact CA-OD2 3.42Å; T60-D281 WeakPolarHBondContact CB-OD2 3.45Å; T60-D281 PolarHBondContact N-OD2 3.44Å; T60-D281 VanDerWaalsContact N-OD2 3.12Å; T60-D281 PolarHBondContact OG1-OD2 2.89Å; S63-D281 WeakPolarHBondContact OG-CB 3.36Å; T277-D281 PolarHBondContact N-O 3.24Å; T277-D281 PolarHBondContact OG1-N 3.08Å; T277-D281 VanDerWaalsContact OG1-N 3.15Å; T277-D281 PolarHBondContact OG1-O 2.93Å
282	T	95.1	Very high	95.7	Very high	91 Å²	91	45.8 Å²	45.8	56%	0.558	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.6	177.1	55.4	0	0	0	0	110.4	F275	F275-T282 CarbonylContact O-C 3.59Å; F275-T282 VanDerWaalsContact O-CA 3.25Å; F275-T282 WeakPolarHBondContact O-CA 3.33Å
283	L	97.3	Very high	95.6	Very high	6 Å²	6	45.9 Å²	45.9	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	117.2	172.6	-54.7	178.2	0	0	0	109.4	L64 G67 L88 F275 T277 F297	L64-L283 HydrophobicContact CD2-CD2 3.95Å; G67-L283 VanDerWaalsContact CA-CD1 3.49Å; L88-L283 HydrophobicContact CD1-CB 4.36Å; L88-L283 HydrophobicContact CD2-CD1 3.83Å; F275-L283 HydrophobicContact CB-CB 4.27Å; F275-L283 HydrophobicContact CD1-CD1 4.22Å; F275-L283 PolarHBondContact N-O 2.84Å; F275-L283 PolarHBondContact O-N 2.84Å; T277-L283 HydrophobicContact CG2-CD1 3.79Å; T277-L283 HydrophobicContact CG2-CD2 4.36Å; T277-L283 HydrophobicContact CG2-CG 3.68Å; L283-F297 HydrophobicContact CD1-CE1 4.26Å
284	L	98	Very high	95.6	Very high	17 Å²	17	50.2 Å²	50.2	9%	0.089	29%	0.286	C	S	.	.			trans	-148.3	88	170.9	-170	72.7	0	0	0	106.4	L196 K199 A265 P274	L196-L284 HydrophobicContact CD1-CD1 3.97Å; L196-L284 HydrophobicContact CD2-CD1 3.76Å; L196-L284 HydrophobicContact CD2-CD2 4.47Å; L196-L284 HydrophobicContact CD2-CG 3.72Å; L196-L284 HydrophobicContact CG-CD1 3.6Å; L196-L284 HydrophobicContact CG-CD2 4.22Å; L196-L284 HydrophobicContact CG-CG 3.85Å; K199-L284 WeakPolarHBondContact CE-O 3.38Å; K199-L284 PolarHBondContact NZ-O 2.99Å; A265-L284 HydrophobicContact CB-CD1 4.01Å; P274-L284 HydrophobicContact CG-CD1 4.23Å; P274-L284 HydrophobicContact CG-CD2 4.16Å
285	L	98.2	Very high	95.5	Very high	13 Å²	13	52 Å²	52	7%	0.068	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.9	-170.2	-48.3	178.1	0	0	0	109.2	L64 V263 I264 V296 F297 E300	L64-L285 HydrophobicContact CD2-CD1 4.43Å; V263-L285 WeakPolarHBondContact CA-O 3.49Å; I264-L285 HydrophobicContact CB-CB 4.13Å; I264-L285 HydrophobicContact CB-CD1 4.25Å; I264-L285 HydrophobicContact CB-CG 4.47Å; I264-L285 PolarHBondContact N-O 2.78Å; I264-L285 PolarHBondContact O-N 3.1Å; L285-V296 HydrophobicContact CB-CG1 4.29Å; L285-V296 HydrophobicContact CD1-CG1 3.92Å; L285-F297 HydrophobicContact CD1-CE1 4.22Å; L285-E300 HydrophobicContact CD1-CG 3.98Å; L285-E300 HydrophobicContact CD2-CG 4.02Å
286	L	98.2	Very high	95.5	Very high	17 Å²	17	50.8 Å²	50.8	9%	0.089	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	126.9	171.7	-175.6	151.2	0	0	0	107.4	L192 L196 K199 V200 V261 T262 V263	L192-L286 HydrophobicContact CD2-CD1 4.14Å; L196-L286 HydrophobicContact CB-CD1 4.37Å; L196-L286 HydrophobicContact CD2-CB 3.98Å; L196-L286 HydrophobicContact CD2-CD1 4.38Å; L196-L286 WeakPolarHBondContact O-CD1 3.44Å; K199-L286 HydrophobicContact CB-CB 3.96Å; K199-L286 HydrophobicContact CB-CD2 4.45Å; K199-L286 HydrophobicContact CD-CB 4.22Å; V200-L286 HydrophobicContact CG2-CD1 3.85Å; V200-L286 HydrophobicContact CG2-CD2 4.33Å; V261-L286 HydrophobicContact CB-CD2 4.44Å; V261-L286 HydrophobicContact CB-CG 4.41Å; V261-L286 HydrophobicContact CG1-CD2 4.22Å; T262-L286 CarbonylContact O-C 3.56Å; T262-L286 WeakPolarHBondContact O-CA 3.28Å; V263-L286 HydrophobicContact CG2-CD1 4.09Å; V263-L286 HydrophobicContact CG2-CG 4.18Å
287	H	97.9	Very high	95.6	Very high	32 Å²	32	46.6 Å²	46.6	15%	0.148	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	141.9	176.1	-76.6	-98	0	0	0	109.6	V261 T262 F291 E300	V261-H287 CarbonylContact C-O 3.55Å; V261-H287 VanDerWaalsContact CA-O 3.29Å; V261-H287 WeakPolarHBondContact CA-O 3.44Å; V261-H287 WeakPolarHBondContact CB-O 3.48Å; T262-H287 PolarHBondContact N-O 3.06Å; T262-H287 PolarHBondContact O-N 3.5Å; H287-F291 HydrophobicContact CB-CD2 3.75Å; H287-F291 HydrophobicContact CB-CE2 3.99Å; H287-E300 IonicContact CD2-OE1 2.76Å; H287-E300 IonicContact CE1-OE1 3.42Å; H287-E300 PolarHBondContact CE1-OE1 3.21Å; H287-E300 IonicContact NE2-OE1 2.74Å; H287-E300 PolarHBondContact NE2-OE1 3.11Å
288	H	96.1	Very high	95.7	Very high	62 Å²	62	51.9 Å²	51.9	29%	0.287	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	120	177.9	-63.2	-69	0	0	0	111	D201 N202 F291	D201-H288 IonicContact OD1-NE2 3.78Å; N202-H288 WeakPolarHBondContact CB-NE2 3.19Å; N202-H288 PolarHBondContact ND2-ND1 3.01Å; N202-H288 PolarHBondContact OD1-CE1 3.18Å; H288-F291 WeakPolarHBondContact O-CE2 3.43Å; H288-F291 WeakPolarHBondContact O-CZ 3.16Å
289	G	95.3	Very high	95.9	Very high	18 Å²	18	47.8 Å²	47.8	19%	0.186	26%	0.257	C	S	.	.	S	Bend	trans	111.4	-179.8	-172.3	0	0	0	0	0	113	M260 V261 T262	M260-G289 PolarHBondContact O-N 3.08Å; V261-G289 CarbonylContact C-O 3.58Å; V261-G289 VanDerWaalsContact C-O 3.3Å; T262-G289 PolarHBondContact N-O 3.24Å; T262-G289 VanDerWaalsContact N-O 3.1Å; T262-G289 PolarHBondContact OG1-O 2.85Å
290	D	95.5	Very high	96.4	Very high	118 Å²	118	47.6 Å²	47.6	63%	0.631	25%	0.252	S	S	*	.			trans	-98.4	106.6	177.2	56.3	-35.7	0	0	0	109.9	I92	I92-D290 HydrophobicContact CG2-CB 3.9Å
291	F	97.4	Very high	96.8	Very high	33 Å²	33	48.2 Å²	48.2	15%	0.145	24%	0.244	C	C	.	.			trans	-125.5	149	178.7	-59.6	-57.2	0	0	0	109.5	H90 I92 T262 H287 H288 E295 V296 R299	H90-F291 PolarHBondContact CE1-O 2.99Å; H90-F291 PolarHBondContact NE2-O 2.88Å; I92-F291 WeakPolarHBondContact CD1-O 3.47Å; T262-F291 HydrophobicContact CG2-CB 4.46Å; T262-F291 WeakPolarHBondContact CG2-O 3.43Å; T262-F291 PolarHBondContact OG1-N 3.35Å; H287-F291 HydrophobicContact CB-CD2 3.75Å; H287-F291 HydrophobicContact CB-CE2 3.99Å; H288-F291 WeakPolarHBondContact O-CE2 3.43Å; H288-F291 WeakPolarHBondContact O-CZ 3.16Å; F291-E295 WeakPolarHBondContact CA-OE2 3.29Å; F291-E295 HydrophobicContact CB-CB 4.14Å; F291-V296 HydrophobicContact CB-CG2 3.76Å; F291-R299 VanDerWaalsContact CZ-CZ 3.49Å
292	S	97.3	Very high	97.1	Very high	40 Å²	40	55 Å²	55	28%	0.28	27%	0.267	S	S	.	.			trans	-69.3	163.1	169.2	93.2	0	0	0	0	110.8	E294 E295 V296	S292-E294 VanDerWaalsContact C-N 3.28Å; S292-E294 VanDerWaalsContact CB-OE2 3.29Å; S292-E294 WeakPolarHBondContact CB-OE2 3.39Å; S292-E294 PolarHBondContact O-N 3.45Å; S292-E294 PolarHBondContact OG-N 3.29Å; S292-E294 PolarHBondContact OG-OE2 2.88Å; S292-E295 PolarHBondContact N-OE2 3.34Å; S292-E295 PolarHBondContact O-N 3.46Å; S292-E295 PolarHBondContact OG-N 3.27Å; S292-V296 WeakPolarHBondContact O-CG2 3.41Å; S292-V296 PolarHBondContact O-N 3.29Å
293	A	96.8	Very high	97.1	Very high	3 Å²	3	52.7 Å²	52.7	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-57	-45.1	174.5	0	0	0	0	0	111.1	V71 H90 I264 E295 V296 F297	V71-A293 HydrophobicContact CG1-CB 3.92Å; V71-A293 HydrophobicContact CG2-CB 4.29Å; H90-A293 HydrophobicContact CB-CB 4.18Å; I264-A293 HydrophobicContact CD1-CB 4.35Å; A293-E295 PolarHBondContact O-N 3.48Å; A293-V296 PolarHBondContact O-N 2.87Å; A293-F297 WeakPolarHBondContact O-CD2 3.36Å; A293-F297 PolarHBondContact O-N 2.9Å
294	E	97.2	Very high	97.1	Very high	105 Å²	105	53 Å²	53	49%	0.491	26%	0.256	S	S	.	.	H	α-helix	trans	-58.8	-45.4	178.1	-57.6	72.6	-160.9	0	0	111.5	L68 S292 V296 F297 H298	L68-E294 HydrophobicContact CD1-CG 4.29Å; S292-E294 VanDerWaalsContact C-N 3.28Å; S292-E294 VanDerWaalsContact CB-OE2 3.29Å; S292-E294 WeakPolarHBondContact CB-OE2 3.39Å; S292-E294 PolarHBondContact O-N 3.45Å; S292-E294 PolarHBondContact OG-N 3.29Å; S292-E294 PolarHBondContact OG-OE2 2.88Å; E294-V296 PolarHBondContact O-N 2.85Å; E294-F297 PolarHBondContact O-N 3.36Å; E294-H298 WeakPolarHBondContact O-CB 3.43Å; E294-H298 PolarHBondContact O-CD2 2.94Å; E294-H298 PolarHBondContact O-N 3.48Å
295	E	97.6	Very high	97	Very high	95 Å²	95	54.9 Å²	54.9	44%	0.444	27%	0.271	S	S	.	.	H	α-helix	trans	-61.4	-42.9	178.2	-72.6	178.7	166.8	0	0	112.1	F291 S292 A293 H298 R299	F291-E295 WeakPolarHBondContact CA-OE2 3.29Å; F291-E295 HydrophobicContact CB-CB 4.14Å; S292-E295 PolarHBondContact N-OE2 3.34Å; S292-E295 PolarHBondContact O-N 3.46Å; S292-E295 PolarHBondContact OG-N 3.27Å; A293-E295 PolarHBondContact O-N 3.48Å; E295-H298 PolarHBondContact O-N 2.84Å; E295-R299 VanDerWaalsContact O-CG 3.27Å; E295-R299 WeakPolarHBondContact O-CG 2.92Å; E295-R299 PolarHBondContact O-N 2.82Å
296	V	97.7	Very high	97	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-61.6	-50.4	176.1	172.3	0	0	0	0	110.7	T262 I264 L285 F291 S292 A293 E294 H298 R299 E300	T262-V296 HydrophobicContact CG2-CG2 3.7Å; I264-V296 HydrophobicContact CD1-CB 3.78Å; I264-V296 HydrophobicContact CD1-CG1 3.61Å; I264-V296 HydrophobicContact CD1-CG2 4.35Å; I264-V296 HydrophobicContact CG1-CG1 4.31Å; L285-V296 HydrophobicContact CB-CG1 4.29Å; L285-V296 HydrophobicContact CD1-CG1 3.92Å; F291-V296 HydrophobicContact CB-CG2 3.76Å; S292-V296 WeakPolarHBondContact O-CG2 3.41Å; S292-V296 PolarHBondContact O-N 3.29Å; A293-V296 PolarHBondContact O-N 2.87Å; E294-V296 PolarHBondContact O-N 2.85Å; V296-H298 VanDerWaalsContact C-N 3.33Å; V296-H298 PolarHBondContact O-N 3.36Å; V296-R299 WeakPolarHBondContact O-CB 3.25Å; V296-R299 PolarHBondContact O-N 3.28Å; V296-E300 WeakPolarHBondContact O-CG 3.18Å; V296-E300 PolarHBondContact O-N 3.37Å
297	F	97.6	Very high	96.9	Very high	1 Å²	1	65.6 Å²	65.6	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-63.2	-38.4	179.1	-78.4	-71.8	0	0	0	112.3	L64 L68 V71 L88 I264 L283 L285 A293 E294 R299 E300 L301	L64-F297 HydrophobicContact CB-CD1 4.14Å; L64-F297 HydrophobicContact CD2-CD1 3.78Å; L64-F297 HydrophobicContact CD2-CE1 4.06Å; L64-F297 VanDerWaalsContact O-CD1 3.31Å; L64-F297 WeakPolarHBondContact O-CD1 3.32Å; L64-F297 WeakPolarHBondContact O-CE1 3.36Å; L68-F297 HydrophobicContact CB-CB 4.4Å; L68-F297 HydrophobicContact CB-CD1 4.26Å; L68-F297 HydrophobicContact CB-CD2 3.88Å; L68-F297 HydrophobicContact CB-CE2 4.22Å; L68-F297 HydrophobicContact CB-CG 3.93Å; L68-F297 HydrophobicContact CD1-CB 4.16Å; L68-F297 HydrophobicContact CD1-CD2 3.53Å; L68-F297 HydrophobicContact CD1-CE2 4.26Å; L68-F297 HydrophobicContact CD1-CG 4.07Å; L68-F297 HydrophobicContact CG-CD2 4.3Å; V71-F297 HydrophobicContact CB-CE2 4.1Å; V71-F297 HydrophobicContact CG1-CE2 4Å; V71-F297 HydrophobicContact CG2-CE2 4.36Å; L88-F297 HydrophobicContact CD2-CZ 4.11Å; I264-F297 HydrophobicContact CD1-CD2 4.04Å; I264-F297 HydrophobicContact CD1-CE2 3.6Å; I264-F297 HydrophobicContact CD1-CZ 4.14Å; I264-F297 HydrophobicContact CG2-CE2 4.32Å; I264-F297 HydrophobicContact CG2-CZ 4.02Å; L283-F297 HydrophobicContact CD1-CE1 4.26Å; L285-F297 HydrophobicContact CD1-CE1 4.22Å; A293-F297 WeakPolarHBondContact O-CD2 3.36Å; A293-F297 PolarHBondContact O-N 2.9Å; E294-F297 PolarHBondContact O-N 3.36Å; F297-R299 PolarHBondContact O-N 2.98Å; F297-E300 PolarHBondContact O-N 2.9Å; F297-L301 WeakPolarHBondContact O-CB 3.3Å; F297-L301 WeakPolarHBondContact O-CG 3.36Å; F297-L301 PolarHBondContact O-N 3.23Å
298	H	97.1	Very high	96.8	Very high	121 Å²	121	64.6 Å²	64.6	56%	0.56	32%	0.316	S	S	*	.	H	α-helix	trans	-63.5	-39.5	174.4	-86.7	-62.4	0	0	0	112.7	E294 E295 V296 L301 R302	E294-H298 WeakPolarHBondContact O-CB 3.43Å; E294-H298 PolarHBondContact O-CD2 2.94Å; E294-H298 PolarHBondContact O-N 3.48Å; E295-H298 PolarHBondContact O-N 2.84Å; V296-H298 VanDerWaalsContact C-N 3.33Å; V296-H298 PolarHBondContact O-N 3.36Å; H298-L301 PolarHBondContact O-N 2.98Å; H298-R302 WeakPolarHBondContact O-CB 3.3Å; H298-R302 PolarHBondContact O-N 3.32Å
299	R	97.1	Very high	96.8	Very high	106 Å²	106	69.4 Å²	69.4	40%	0.4	33%	0.332	S	S	.	.	H	α-helix	trans	-64.4	-43.5	174.7	-74.6	172.5	179.2	-149.1	1.8	111.7	F291 E295 V296 F297 R302 S303	F291-R299 VanDerWaalsContact CZ-CZ 3.49Å; E295-R299 VanDerWaalsContact O-CG 3.27Å; E295-R299 WeakPolarHBondContact O-CG 2.92Å; E295-R299 PolarHBondContact O-N 2.82Å; V296-R299 WeakPolarHBondContact O-CB 3.25Å; V296-R299 PolarHBondContact O-N 3.28Å; F297-R299 PolarHBondContact O-N 2.98Å; R299-R302 PolarHBondContact O-N 2.98Å; R299-S303 WeakPolarHBondContact O-CB 3.38Å; R299-S303 PolarHBondContact O-N 3.49Å
300	E	97.3	Very high	96.9	Very high	42 Å²	42	70.5 Å²	70.5	20%	0.196	34%	0.343	C	S	.	.	H	α-helix	trans	-64.6	-40.8	176.3	-69	-59	158.3	0	0	112.2	L64 L285 H287 V296 F297 R302 S303 N304	L64-E300 HydrophobicContact CD1-CB 3.73Å; L64-E300 HydrophobicContact CD2-CB 3.66Å; L64-E300 HydrophobicContact CD2-CG 4.2Å; L64-E300 HydrophobicContact CG-CB 4.37Å; L285-E300 HydrophobicContact CD1-CG 3.98Å; L285-E300 HydrophobicContact CD2-CG 4.02Å; H287-E300 IonicContact CD2-OE1 2.76Å; H287-E300 IonicContact CE1-OE1 3.42Å; H287-E300 PolarHBondContact CE1-OE1 3.21Å; H287-E300 IonicContact NE2-OE1 2.74Å; H287-E300 PolarHBondContact NE2-OE1 3.11Å; V296-E300 WeakPolarHBondContact O-CG 3.18Å; V296-E300 PolarHBondContact O-N 3.37Å; F297-E300 PolarHBondContact O-N 2.9Å; E300-R302 PolarHBondContact O-N 3.26Å; E300-S303 PolarHBondContact O-N 2.74Å; E300-N304 VanDerWaalsContact O-CB 3.32Å; E300-N304 WeakPolarHBondContact O-CB 3.46Å; E300-N304 PolarHBondContact O-N 2.97Å
301	L	96.8	Very high	97	Very high	58 Å²	58	67.9 Å²	67.9	30%	0.304	33%	0.329	S	S	.	.	H	α-helix	trans	-62.5	-42.6	174	-76.9	168.8	0	0	0	111.8	A61 L64 F297 H298 N304 S305	A61-L301 HydrophobicContact CB-CD2 4.17Å; L64-L301 HydrophobicContact CB-CD2 4.16Å; L64-L301 HydrophobicContact CB-CG 4.37Å; L64-L301 HydrophobicContact CD1-CD2 3.88Å; L64-L301 HydrophobicContact CD1-CG 4.01Å; F297-L301 WeakPolarHBondContact O-CB 3.3Å; F297-L301 WeakPolarHBondContact O-CG 3.36Å; F297-L301 PolarHBondContact O-N 3.23Å; H298-L301 PolarHBondContact O-N 2.98Å; L301-N304 PolarHBondContact O-N 2.92Å; L301-S305 WeakPolarHBondContact O-CB 3.43Å; L301-S305 PolarHBondContact O-N 3.38Å
302	R	96.8	Very high	96.9	Very high	177 Å²	177	68.2 Å²	68.2	67%	0.668	33%	0.329	S	S	*	.	H	α-helix	trans	-63.2	-46.2	175.7	-172.6	-174.9	-63.6	174.8	0.5	111.3	H298 R299 E300 N304 S305 M306	H298-R302 WeakPolarHBondContact O-CB 3.3Å; H298-R302 PolarHBondContact O-N 3.32Å; R299-R302 PolarHBondContact O-N 2.98Å; E300-R302 PolarHBondContact O-N 3.26Å; R302-N304 PolarHBondContact O-N 3.24Å; R302-S305 WeakPolarHBondContact O-CB 3.42Å; R302-S305 PolarHBondContact O-N 3.49Å; R302-M306 HydrophobicContact CG-SD 4.41Å; R302-M306 WeakPolarHBondContact O-CG 3.46Å; R302-M306 PolarHBondContact O-N 2.74Å
303	S	96.1	Very high	97	Very high	42 Å²	42	69 Å²	69	29%	0.294	34%	0.338	S	S	.	.	H	α-helix	trans	-59.3	-45.6	175.9	-179.1	0	0	0	0	111.5	R299 E300 S305 M306 K307	R299-S303 WeakPolarHBondContact O-CB 3.38Å; R299-S303 PolarHBondContact O-N 3.49Å; E300-S303 PolarHBondContact O-N 2.74Å; S303-S305 VanDerWaalsContact C-N 3.34Å; S303-S305 PolarHBondContact O-N 3.47Å; S303-M306 PolarHBondContact O-N 2.88Å; S303-K307 WeakPolarHBondContact O-CB 3.16Å; S303-K307 WeakPolarHBondContact O-CG 3.48Å; S303-K307 PolarHBondContact O-N 2.64Å
304	N	96.8	Very high	97	Very high	12 Å²	12	71.3 Å²	71.3	6%	0.064	36%	0.357	C	S	.	.	H	α-helix	trans	-60.9	-42.2	175.3	-177.2	43.4	0	0	0	111.9	R56 A57 T60 E300 L301 R302 K307 T308	R56-N304 PolarHBondContact NH1-OD1 2.89Å; A57-N304 PolarHBondContact O-ND2 3.44Å; T60-N304 HydrophobicContact CG2-CB 4.19Å; E300-N304 VanDerWaalsContact O-CB 3.32Å; E300-N304 WeakPolarHBondContact O-CB 3.46Å; E300-N304 PolarHBondContact O-N 2.97Å; L301-N304 PolarHBondContact O-N 2.92Å; R302-N304 PolarHBondContact O-N 3.24Å; N304-K307 PolarHBondContact O-N 3.12Å; N304-T308 WeakPolarHBondContact O-CB 3.33Å; N304-T308 PolarHBondContact O-N 3.42Å; N304-T308 PolarHBondContact O-OG1 2.94Å
305	S	96.4	Very high	97	Very high	57 Å²	57	66.3 Å²	66.3	40%	0.399	33%	0.333	S	S	.	.	H	α-helix	trans	-61.7	-49.1	175.1	-174.5	0	0	0	0	111.6	L301 R302 S303 K307 T308 W309	L301-S305 WeakPolarHBondContact O-CB 3.43Å; L301-S305 PolarHBondContact O-N 3.38Å; R302-S305 WeakPolarHBondContact O-CB 3.42Å; R302-S305 PolarHBondContact O-N 3.49Å; S303-S305 VanDerWaalsContact C-N 3.34Å; S303-S305 PolarHBondContact O-N 3.47Å; S305-K307 PolarHBondContact O-N 3.05Å; S305-T308 WeakPolarHBondContact O-CB 3.33Å; S305-T308 PolarHBondContact O-N 3.07Å; S305-T308 VanDerWaalsContact O-N 3.09Å; S305-W309 VanDerWaalsContact O-CD1 3.31Å; S305-W309 PolarHBondContact O-N 3.29Å
306	M	97.2	Very high	97	Very high	131 Å²	131	64.5 Å²	64.5	65%	0.645	32%	0.323	S	S	*	.	H	α-helix	trans	-59	-45.1	177.4	-73	177.1	63.5	0	0	112.1	R302 S303 T308 W309 G310	R302-M306 HydrophobicContact CG-SD 4.41Å; R302-M306 WeakPolarHBondContact O-CG 3.46Å; R302-M306 PolarHBondContact O-N 2.74Å; S303-M306 PolarHBondContact O-N 2.88Å; M306-T308 VanDerWaalsContact C-N 3.29Å; M306-T308 PolarHBondContact O-N 3.38Å; M306-W309 PolarHBondContact O-N 3.19Å; M306-G310 PolarHBondContact O-N 2.84Å
307	K	96.4	Very high	97	Very high	123 Å²	123	68.3 Å²	68.3	54%	0.535	34%	0.341	S	S	.	.	H	α-helix	trans	-60.1	-40.5	174.6	-72.9	174.8	-176.3	175.7	0	111.8	S303 N304 S305 G310 L311	S303-K307 WeakPolarHBondContact O-CB 3.16Å; S303-K307 WeakPolarHBondContact O-CG 3.48Å; S303-K307 PolarHBondContact O-N 2.64Å; N304-K307 PolarHBondContact O-N 3.12Å; S305-K307 PolarHBondContact O-N 3.05Å; K307-G310 PolarHBondContact O-N 2.88Å; K307-L311 WeakPolarHBondContact O-CB 3.27Å; K307-L311 WeakPolarHBondContact O-CG 3.28Å; K307-L311 PolarHBondContact O-N 3.25Å
308	T	95.8	Very high	97	Very high	11 Å²	11	69.4 Å²	69.4	7%	0.067	35%	0.351	C	S	.	.	H	α-helix	trans	-63.2	-47.4	178.6	-54.7	0	0	0	0	111	N53 R56 A57 N304 S305 M306 L311 R312	N53-T308 PolarHBondContact ND2-O 3.36Å; R56-T308 PolarHBondContact NH2-OG1 2.8Å; R56-T308 VanDerWaalsContact NH2-OG1 3.15Å; A57-T308 HydrophobicContact CB-CG2 3.75Å; A57-T308 WeakPolarHBondContact CB-OG1 3.39Å; N304-T308 WeakPolarHBondContact O-CB 3.33Å; N304-T308 PolarHBondContact O-N 3.42Å; N304-T308 PolarHBondContact O-OG1 2.94Å; S305-T308 WeakPolarHBondContact O-CB 3.33Å; S305-T308 PolarHBondContact O-N 3.07Å; S305-T308 VanDerWaalsContact O-N 3.09Å; M306-T308 VanDerWaalsContact C-N 3.29Å; M306-T308 PolarHBondContact O-N 3.38Å; T308-L311 PolarHBondContact O-N 2.77Å; T308-R312 WeakPolarHBondContact O-CG 3.36Å; T308-R312 PolarHBondContact O-N 3.13Å
309	W	97	Very high	97	Very high	164 Å²	164	63.7 Å²	63.7	62%	0.621	32%	0.324	S	S	*	.	H	α-helix	trans	-64.5	-42.8	175.8	-82	99.6	0	0	0	112.6	S305 M306 L311 R312 A313	S305-W309 VanDerWaalsContact O-CD1 3.31Å; S305-W309 PolarHBondContact O-N 3.29Å; M306-W309 PolarHBondContact O-N 3.19Å; W309-L311 PolarHBondContact O-N 2.94Å; W309-R312 PolarHBondContact O-N 3.16Å; W309-A313 PolarHBondContact O-N 3.34Å
310	G	97.9	Very high	96.9	Very high	41 Å²	41	60.7 Å²	60.7	42%	0.423	31%	0.314	S	S	.	.	H	α-helix	trans	-60.3	-45.1	176	0	0	0	0	0	112.6	M306 K307 A313 A314	M306-G310 PolarHBondContact O-N 2.84Å; K307-G310 PolarHBondContact O-N 2.88Å; G310-A313 PolarHBondContact O-N 2.89Å; G310-A314 WeakPolarHBondContact O-CB 3.44Å; G310-A314 PolarHBondContact O-N 3.49Å
311	L	96.4	Very high	96.7	Very high	63 Å²	63	63.7 Å²	63.7	33%	0.33	33%	0.33	S	S	.	.	H	α-helix	trans	-68	-34.3	176.5	-75.3	169.7	0	0	0	112.7	L49 N53 K307 T308 W309 A314 G315	L49-L311 HydrophobicContact CD2-CB 4.29Å; L49-L311 HydrophobicContact CD2-CD2 4.33Å; L49-L311 WeakPolarHBondContact CD2-O 3.38Å; N53-L311 HydrophobicContact CB-CB 4.28Å; N53-L311 HydrophobicContact CB-CD1 4.35Å; N53-L311 WeakPolarHBondContact OD1-CD1 3.24Å; K307-L311 WeakPolarHBondContact O-CB 3.27Å; K307-L311 WeakPolarHBondContact O-CG 3.28Å; K307-L311 PolarHBondContact O-N 3.25Å; T308-L311 PolarHBondContact O-N 2.77Å; W309-L311 PolarHBondContact O-N 2.94Å; L311-A314 PolarHBondContact O-N 2.9Å; L311-G315 PolarHBondContact O-N 3.02Å
312	R	96.7	Very high	96.6	Very high	39 Å²	39	61 Å²	61	15%	0.147	32%	0.315	C	S	.	.	H	α-helix	trans	-62.8	-45.4	171	-75.8	174.9	180	177.9	-0.9	111.5	E54 T308 W309 G315 W316 V364	E54-R312 IonicContact OE1-CZ 3.58Å; E54-R312 IonicContact OE1-NE 3.77Å; E54-R312 PolarHBondContact OE1-NE 3.33Å; E54-R312 IonicContact OE1-NH2 2.76Å; E54-R312 PolarHBondContact OE1-NH2 3.47Å; E54-R312 IonicContact OE2-CZ 2.82Å; E54-R312 IonicContact OE2-NH2 3.25Å; E54-R312 PolarHBondContact OE2-NH2 3.12Å; T308-R312 WeakPolarHBondContact O-CG 3.36Å; T308-R312 PolarHBondContact O-N 3.13Å; W309-R312 PolarHBondContact O-N 3.16Å; R312-G315 PolarHBondContact O-N 2.85Å; R312-W316 WeakPolarHBondContact O-CB 3.41Å; R312-W316 PolarHBondContact O-N 3.02Å; R312-V364 HydrophobicContact CG-CG2 4.45Å
313	A	97.9	Very high	96.4	Very high	58 Å²	58	53.5 Å²	53.5	48%	0.479	29%	0.289	S	S	.	.	H	α-helix	trans	-63.7	-43.1	177.6	0	0	0	0	0	111.7	W309 G310 W316 M317	W309-A313 PolarHBondContact O-N 3.34Å; G310-A313 PolarHBondContact O-N 2.89Å; A313-W316 PolarHBondContact O-N 3.31Å; A313-M317 WeakPolarHBondContact O-CB 3.33Å; A313-M317 PolarHBondContact O-N 3.31Å
314	A	97.6	Very high	96.1	Very high	50 Å²	50	53.2 Å²	53.2	41%	0.413	28%	0.283	S	S	.	.	H	α-helix	trans	-63.2	-44.1	175.3	0	0	0	0	0	112	G310 L311 M317 A318	G310-A314 WeakPolarHBondContact O-CB 3.44Å; G310-A314 PolarHBondContact O-N 3.49Å; L311-A314 PolarHBondContact O-N 2.9Å; A314-M317 PolarHBondContact O-N 3.2Å; A314-A318 WeakPolarHBondContact O-CB 3.45Å; A314-A318 PolarHBondContact O-N 3.08Å
315	G	97.4	Very high	95.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-45.6	175.4	0	0	0	0	0	112.6	S46 L311 R312 M317 A318 M319	S46-G315 WeakPolarHBondContact CB-O 3.44Å; L311-G315 PolarHBondContact O-N 3.02Å; R312-G315 PolarHBondContact O-N 2.85Å; G315-M317 VanDerWaalsContact C-N 3.33Å; G315-M317 PolarHBondContact O-N 3.05Å; G315-A318 PolarHBondContact O-N 2.98Å; G315-M319 WeakPolarHBondContact O-CB 3.38Å; G315-M319 PolarHBondContact O-N 3.11Å
316	W	97.9	Very high	95.4	Very high	58 Å²	58	54.7 Å²	54.7	22%	0.22	29%	0.286	C	S	.	.	H	α-helix	trans	-59.1	-44.2	174.2	172.7	84.9	0	0	0	111.7	R312 A313 M319 F320 F353 T357 T360	R312-W316 WeakPolarHBondContact O-CB 3.41Å; R312-W316 PolarHBondContact O-N 3.02Å; A313-W316 PolarHBondContact O-N 3.31Å; W316-M319 WeakPolarHBondContact O-CB 3.29Å; W316-M319 PolarHBondContact O-N 2.87Å; W316-F320 WeakPolarHBondContact O-CB 3.43Å; W316-F320 PolarHBondContact O-N 3Å; W316-F353 HydrophobicContact CH2-CD2 4.05Å; W316-F353 AromaticContact CH2-CE2 3.72Å; W316-F353 HydrophobicContact CH2-CE2 3.72Å; W316-F353 AromaticContact CZ2-CD2 3.57Å; W316-F353 HydrophobicContact CZ2-CD2 3.57Å; W316-F353 AromaticContact CZ2-CE2 3.34Å; W316-F353 HydrophobicContact CZ2-CE2 3.34Å; W316-F353 HydrophobicContact CZ2-CZ 4.12Å; W316-T357 PolarHBondContact NE1-OG1 3.18Å; W316-T360 HydrophobicContact CB-CG2 4.22Å
317	M	97.7	Very high	94.7	Very high	80 Å²	80	49.2 Å²	49.2	39%	0.394	26%	0.26	S	S	.	.	H	α-helix	trans	-63.5	-44.2	177.7	-173.8	64	77.1	0	0	111.3	A313 A314 G315 M319 F320 M321	A313-M317 WeakPolarHBondContact O-CB 3.33Å; A313-M317 PolarHBondContact O-N 3.31Å; A314-M317 PolarHBondContact O-N 3.2Å; G315-M317 VanDerWaalsContact C-N 3.33Å; G315-M317 PolarHBondContact O-N 3.05Å; M317-M319 VanDerWaalsContact C-N 3.33Å; M317-M319 PolarHBondContact O-N 2.91Å; M317-F320 PolarHBondContact O-N 2.53Å; M317-F320 HydrophobicContact SD-CD1 4.39Å; M317-M321 HydrophobicContact CG-CE 3.74Å; M317-M321 HydrophobicContact CG-CG 4.44Å; M317-M321 HydrophobicContact CG-SD 4.12Å; M317-M321 WeakPolarHBondContact O-CB 3.14Å; M317-M321 WeakPolarHBondContact O-CG 3.44Å; M317-M321 PolarHBondContact O-N 3.48Å; M317-M321 HydrophobicContact SD-CE 3.85Å; M317-M321 HydrophobicContact SD-CG 4.47Å
318	A	96.9	Very high	93.8	Very high	25 Å²	25	50 Å²	50	21%	0.207	26%	0.259	C	S	.	.	H	α-helix	trans	-60.3	-42.5	175	0	0	0	0	0	111.5	T42 A314 G315 M321 G322	T42-A318 HydrophobicContact CG2-CB 4.01Å; T42-A318 WeakPolarHBondContact CG2-O 3.08Å; A314-A318 WeakPolarHBondContact O-CB 3.45Å; A314-A318 PolarHBondContact O-N 3.08Å; G315-A318 PolarHBondContact O-N 2.98Å; A318-M321 PolarHBondContact O-N 3Å; A318-G322 PolarHBondContact O-N 2.84Å
319	M	97.1	Very high	92.7	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.9	-46.7	175.6	-165.8	178.3	-74.3	0	0	111.6	F43 S46 F47 I50 G315 W316 M317 G322 L323 A356 L359	F43-M319 HydrophobicContact CD2-CG 3.55Å; F43-M319 HydrophobicContact CE2-CG 3.61Å; F43-M319 HydrophobicContact CE2-SD 4.24Å; S46-M319 WeakPolarHBondContact OG-CB 3.45Å; S46-M319 WeakPolarHBondContact OG-CE 3.38Å; F47-M319 HydrophobicContact CD1-CE 3.98Å; F47-M319 HydrophobicContact CD2-CE 4.03Å; F47-M319 HydrophobicContact CE1-CE 3.71Å; F47-M319 HydrophobicContact CE2-CE 3.76Å; F47-M319 HydrophobicContact CG-CE 4.12Å; F47-M319 HydrophobicContact CZ-CE 3.6Å; F47-M319 HydrophobicContact CZ-SD 4.29Å; I50-M319 HydrophobicContact CD1-CE 4.1Å; G315-M319 WeakPolarHBondContact O-CB 3.38Å; G315-M319 PolarHBondContact O-N 3.11Å; W316-M319 WeakPolarHBondContact O-CB 3.29Å; W316-M319 PolarHBondContact O-N 2.87Å; M317-M319 VanDerWaalsContact C-N 3.33Å; M317-M319 PolarHBondContact O-N 2.91Å; M319-G322 PolarHBondContact O-N 3.32Å; M319-L323 WeakPolarHBondContact O-CG 3.4Å; M319-L323 PolarHBondContact O-N 2.78Å; M319-A356 HydrophobicContact CB-CB 4.4Å; M319-A356 HydrophobicContact CG-CB 4.23Å; M319-A356 HydrophobicContact SD-CB 4.4Å; M319-L359 HydrophobicContact CE-CB 4.24Å; M319-L359 HydrophobicContact SD-CB 3.53Å; M319-L359 VanDerWaalsContact SD-CB 3.53Å; M319-L359 HydrophobicContact SD-CD1 4.37Å
320	F	95.5	Very high	91.4	Very high	43 Å²	43	47.3 Å²	47.3	19%	0.189	26%	0.256	C	S	.	.	H	α-helix	trans	-62.5	-47.4	177.6	178.1	-111.2	0	0	0	111.7	W316 M317 G322 L323 N324 A352 F353 A356	W316-F320 WeakPolarHBondContact O-CB 3.43Å; W316-F320 PolarHBondContact O-N 3Å; M317-F320 PolarHBondContact O-N 2.53Å; M317-F320 HydrophobicContact SD-CD1 4.39Å; F320-G322 PolarHBondContact O-N 3.17Å; F320-L323 PolarHBondContact O-N 3.17Å; F320-N324 WeakPolarHBondContact CD2-ND2 3.31Å; F320-N324 WeakPolarHBondContact CE1-ND2 3.46Å; F320-N324 WeakPolarHBondContact CE2-ND2 3.37Å; F320-N324 WeakPolarHBondContact CZ-ND2 3.46Å; F320-N324 PolarHBondContact O-N 2.99Å; F320-N324 PolarHBondContact O-ND2 2.89Å; F320-A352 HydrophobicContact CD2-CB 4.14Å; F320-A352 HydrophobicContact CE2-CB 3.97Å; F320-F353 HydrophobicContact CD2-CB 4.23Å; F320-F353 HydrophobicContact CE2-CB 3.76Å; F320-F353 HydrophobicContact CE2-CD2 4.46Å; F320-A356 HydrophobicContact CB-CB 3.98Å; F320-A356 HydrophobicContact CD2-CB 4.44Å
321	M	93.1	Very high	89.9	Confident	106 Å²	106	47.2 Å²	47.2	52%	0.522	24%	0.243	S	C	.	.	H	α-helix	trans	-61.6	-42.6	175.7	-73.5	178.4	175.2	0	0	111.7	M317 A318 L323 N324 L325	M317-M321 HydrophobicContact CG-CE 3.74Å; M317-M321 HydrophobicContact CG-CG 4.44Å; M317-M321 HydrophobicContact CG-SD 4.12Å; M317-M321 WeakPolarHBondContact O-CB 3.14Å; M317-M321 WeakPolarHBondContact O-CG 3.44Å; M317-M321 PolarHBondContact O-N 3.48Å; M317-M321 HydrophobicContact SD-CE 3.85Å; M317-M321 HydrophobicContact SD-CG 4.47Å; A318-M321 PolarHBondContact O-N 3Å; M321-L323 PolarHBondContact O-N 2.83Å; M321-N324 PolarHBondContact O-N 3.01Å; M321-L325 WeakPolarHBondContact O-CB 3.17Å; M321-L325 WeakPolarHBondContact O-CG 3.36Å; M321-L325 PolarHBondContact O-N 2.84Å
322	G	94	Very high	88.6	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.2	-47.2	175.8	0	0	0	0	0	112.5	G39 A318 M319 F320 L325 M326	G39-G322 VanDerWaalsContact O-CA 3.25Å; G39-G322 WeakPolarHBondContact O-CA 3.35Å; A318-G322 PolarHBondContact O-N 2.84Å; M319-G322 PolarHBondContact O-N 3.32Å; F320-G322 PolarHBondContact O-N 3.17Å; G322-L325 PolarHBondContact O-N 2.92Å; G322-M326 VanDerWaalsContact O-CG 3.28Å; G322-M326 WeakPolarHBondContact O-CG 3.44Å; G322-M326 PolarHBondContact O-N 2.87Å
323	L	93.1	Very high	87	Confident	21 Å²	21	48.8 Å²	48.8	11%	0.11	26%	0.255	C	S	.	.	H	α-helix	trans	-62.5	-42.5	175.5	-73	172	0	0	0	112.5	F43 M319 F320 M321 L325 M326 T327 A352 M355 A356	F43-L323 HydrophobicContact CD2-CD1 4.48Å; F43-L323 HydrophobicContact CD2-CD2 3.95Å; F43-L323 HydrophobicContact CD2-CG 3.82Å; F43-L323 HydrophobicContact CE2-CD1 4.16Å; F43-L323 HydrophobicContact CE2-CD2 3.74Å; F43-L323 HydrophobicContact CE2-CG 3.86Å; F43-L323 HydrophobicContact CZ-CD2 4.32Å; M319-L323 WeakPolarHBondContact O-CG 3.4Å; M319-L323 PolarHBondContact O-N 2.78Å; F320-L323 PolarHBondContact O-N 3.17Å; M321-L323 PolarHBondContact O-N 2.83Å; L323-L325 VanDerWaalsContact C-N 3.35Å; L323-L325 PolarHBondContact O-N 2.71Å; L323-M326 PolarHBondContact O-N 2.8Å; L323-T327 WeakPolarHBondContact O-CG2 3.37Å; L323-T327 PolarHBondContact O-N 3.49Å; L323-T327 PolarHBondContact O-OG1 2.85Å; L323-A352 HydrophobicContact CB-CB 3.99Å; L323-M355 HydrophobicContact CD1-CB 3.99Å; L323-M355 HydrophobicContact CD1-CG 3.92Å; L323-A356 HydrophobicContact CD1-CB 4.07Å
324	N	90.1	Very high	85.5	Confident	35 Å²	35	48.3 Å²	48.3	19%	0.187	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-38	176.8	-80.4	-79.6	0	0	0	112.6	F320 M321 T327 R328 K349	F320-N324 WeakPolarHBondContact CD2-ND2 3.31Å; F320-N324 WeakPolarHBondContact CE1-ND2 3.46Å; F320-N324 WeakPolarHBondContact CE2-ND2 3.37Å; F320-N324 WeakPolarHBondContact CZ-ND2 3.46Å; F320-N324 PolarHBondContact O-N 2.99Å; F320-N324 PolarHBondContact O-ND2 2.89Å; M321-N324 PolarHBondContact O-N 3.01Å; N324-T327 PolarHBondContact O-OG1 2.93Å; N324-R328 PolarHBondContact O-N 3.44Å; N324-K349 WeakPolarHBondContact OD1-CG 3.49Å
325	L	89.3	Confident	83.9	Confident	54 Å²	54	48.7 Å²	48.7	28%	0.283	24%	0.241	S	C	.	.	H	α-helix	trans	-66.8	-39.6	175.2	-75.8	172.4	0	0	0	111.5	V38 M321 G322 L323 R328	V38-L325 HydrophobicContact CG1-CD1 4.48Å; M321-L325 WeakPolarHBondContact O-CB 3.17Å; M321-L325 WeakPolarHBondContact O-CG 3.36Å; M321-L325 PolarHBondContact O-N 2.84Å; G322-L325 PolarHBondContact O-N 2.92Å; L323-L325 VanDerWaalsContact C-N 3.35Å; L323-L325 PolarHBondContact O-N 2.71Å; L325-R328 VanDerWaalsContact O-CB 3.25Å; L325-R328 WeakPolarHBondContact O-CB 3.2Å; L325-R328 PolarHBondContact O-N 2.82Å
326	M	87.6	Confident	82.2	Confident	46 Å²	46	58.8 Å²	58.8	23%	0.227	28%	0.28	C	S	.	.	H	α-helix	trans	-67.3	-38.6	176.3	-70.3	171.8	66.2	0	0	112.7	M36 L40 F43 G322 L323 R328 I329	M36-M326 HydrophobicContact CG-CG 4.39Å; L40-M326 HydrophobicContact CB-CG 4.48Å; L40-M326 HydrophobicContact CB-SD 4.16Å; L40-M326 HydrophobicContact CD1-CE 3.98Å; L40-M326 HydrophobicContact CD1-SD 4.15Å; F43-M326 HydrophobicContact CB-SD 4.32Å; G322-M326 VanDerWaalsContact O-CG 3.28Å; G322-M326 WeakPolarHBondContact O-CG 3.44Å; G322-M326 PolarHBondContact O-N 2.87Å; L323-M326 PolarHBondContact O-N 2.8Å; M326-R328 PolarHBondContact O-N 3.02Å; M326-I329 WeakPolarHBondContact O-CG2 3.44Å
327	T	84.1	Confident	80.7	Confident	16 Å²	16	62 Å²	62	10%	0.098	30%	0.295	C	S	.	.	H	α-helix	trans	-74.8	-12.5	178.3	56.4	0	0	0	0	113.1	L323 N324 I329 L330 Y331	L323-T327 WeakPolarHBondContact O-CG2 3.37Å; L323-T327 PolarHBondContact O-N 3.49Å; L323-T327 PolarHBondContact O-OG1 2.85Å; N324-T327 PolarHBondContact O-OG1 2.93Å; T327-I329 PolarHBondContact O-N 3Å; T327-L330 HydrophobicContact CG2-CD1 4.42Å; T327-L330 VanDerWaalsContact O-CB 3.29Å; T327-L330 WeakPolarHBondContact O-CB 3.33Å; T327-L330 PolarHBondContact O-N 3.47Å; T327-Y331 VanDerWaalsContact O-CD2 3.29Å; T327-Y331 WeakPolarHBondContact O-CD2 3.39Å
328	R	77.6	Confident	79.1	Confident	141 Å²	141	63.5 Å²	63.5	53%	0.532	31%	0.311	S	S	.	.	H	α-helix	trans	-55.2	-34.4	178.5	-163.6	173.8	178.6	-173.7	-2.5	113.5	T32 N324 L325 M326 L330 Y331	T32-R328 HydrophobicContact CG2-CG 4.19Å; N324-R328 PolarHBondContact O-N 3.44Å; L325-R328 VanDerWaalsContact O-CB 3.25Å; L325-R328 WeakPolarHBondContact O-CB 3.2Å; L325-R328 PolarHBondContact O-N 2.82Å; M326-R328 PolarHBondContact O-N 3.02Å; R328-L330 VanDerWaalsContact C-N 3.28Å; R328-L330 PolarHBondContact O-N 2.98Å; R328-Y331 WeakPolarHBondContact O-CB 3.37Å; R328-Y331 PolarHBondContact O-N 2.88Å
329	I	71.7	Confident	77.8	Confident	38 Å²	38	68.5 Å²	68.5	20%	0.195	34%	0.338	C	S	.	.	H	α-helix	trans	-61.3	-37	175.3	-164.7	77.3	0	0	0	111.6	L29 M326 T327 Y331 T332	L29-I329 HydrophobicContact CD2-CD1 3.69Å; M326-I329 WeakPolarHBondContact O-CG2 3.44Å; T327-I329 PolarHBondContact O-N 3Å; I329-Y331 VanDerWaalsContact C-N 3.26Å; I329-Y331 PolarHBondContact O-N 3.23Å; I329-T332 PolarHBondContact O-N 3.11Å; I329-T332 PolarHBondContact O-OG1 2.77Å
330	L	69.8	Low	76.6	Confident	80 Å²	80	74 Å²	74	42%	0.419	36%	0.363	S	S	.	.	H	α-helix	trans	-66	-32	-179.6	-58.6	175.5	0	0	0	111.3	T327 R328 L333 V334 L348	T327-L330 HydrophobicContact CG2-CD1 4.42Å; T327-L330 VanDerWaalsContact O-CB 3.29Å; T327-L330 WeakPolarHBondContact O-CB 3.33Å; T327-L330 PolarHBondContact O-N 3.47Å; R328-L330 VanDerWaalsContact C-N 3.28Å; R328-L330 PolarHBondContact O-N 2.98Å; L330-L333 PolarHBondContact O-N 3.48Å; L330-V334 WeakPolarHBondContact O-CG2 3.45Å; L330-V334 PolarHBondContact O-N 3.49Å; L330-V334 VanDerWaalsContact O-N 3.1Å; L330-L348 HydrophobicContact CD1-CD2 4.45Å
331	Y	67.3	Low	75.3	Confident	39 Å²	39	78 Å²	78	15%	0.153	38%	0.377	C	S	.	.	H	α-helix	trans	-64.3	-40.7	175.4	-71	-91.1	0	0	0	112.4	T327 R328 I329 L333 V334 D335 N345 L348	T327-Y331 VanDerWaalsContact O-CD2 3.29Å; T327-Y331 WeakPolarHBondContact O-CD2 3.39Å; R328-Y331 WeakPolarHBondContact O-CB 3.37Å; R328-Y331 PolarHBondContact O-N 2.88Å; I329-Y331 VanDerWaalsContact C-N 3.26Å; I329-Y331 PolarHBondContact O-N 3.23Å; Y331-L333 PolarHBondContact O-N 3.5Å; Y331-V334 PolarHBondContact O-N 2.99Å; Y331-V334 VanDerWaalsContact O-N 3.14Å; Y331-D335 VanDerWaalsContact O-CG 3.31Å; Y331-D335 PolarHBondContact O-N 2.75Å; Y331-N345 VanDerWaalsContact CE1-CA 3.46Å; Y331-N345 HydrophobicContact CE1-CB 3.61Å; Y331-N345 WeakPolarHBondContact CE1-OD1 3.43Å; Y331-N345 WeakPolarHBondContact OH-CA 3.37Å; Y331-N345 PolarHBondContact OH-O 3.45Å; Y331-N345 PolarHBondContact OH-OD1 3.26Å; Y331-L348 HydrophobicContact CD2-CD1 4.05Å; Y331-L348 HydrophobicContact CE1-CD1 4.09Å; Y331-L348 HydrophobicContact CE2-CB 4.35Å; Y331-L348 HydrophobicContact CE2-CD1 3.51Å; Y331-L348 WeakPolarHBondContact OH-CB 3.39Å
332	T	67.4	Low	74.5	Confident	32 Å²	32	78.7 Å²	78.7	20%	0.196	38%	0.382	C	S	.	.	H	α-helix	trans	-62.6	-25.2	177.9	65.4	0	0	0	0	112.9	L29 T32 I329	L29-T332 WeakPolarHBondContact CD2-OG1 3.3Å; T32-T332 HydrophobicContact CG2-CG2 3.79Å; I329-T332 PolarHBondContact O-N 3.11Å; I329-T332 PolarHBondContact O-OG1 2.77Å
333	L	64.2	Low	73.8	Confident	103 Å²	103	84.6 Å²	84.6	54%	0.539	41%	0.413	S	S	.	.	H	α-helix	trans	-83.6	-34.5	175.7	-61.3	173.9	0	0	0	112.5	F25 L330 Y331	F25-L333 HydrophobicContact CZ-CD2 4.5Å; L330-L333 PolarHBondContact O-N 3.48Å; Y331-L333 PolarHBondContact O-N 3.5Å
334	V	66.1	Low	73.1	Confident	47 Å²	47	85.8 Å²	85.8	29%	0.285	42%	0.421	S	S	.	.	H	α-helix	trans	-83	-22.3	-176.7	175.7	0	0	0	0	112.8	L330 Y331 W336 F337 V344	L330-V334 WeakPolarHBondContact O-CG2 3.45Å; L330-V334 PolarHBondContact O-N 3.49Å; L330-V334 VanDerWaalsContact O-N 3.1Å; Y331-V334 PolarHBondContact O-N 2.99Å; Y331-V334 VanDerWaalsContact O-N 3.14Å; V334-W336 PolarHBondContact O-N 3.1Å; V334-F337 PolarHBondContact O-N 3.49Å; V334-V344 HydrophobicContact CG1-CB 4.38Å; V334-V344 HydrophobicContact CG1-CG1 4.22Å; V334-V344 HydrophobicContact CG1-CG2 4.16Å
335	D	64.1	Low	72.6	Confident	58 Å²	58	86.5 Å²	86.5	31%	0.31	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-10.5	178.7	-86.1	-1.7	0	0	0	114.4	Y331 F337 R341	Y331-D335 VanDerWaalsContact O-CG 3.31Å; Y331-D335 PolarHBondContact O-N 2.75Å; D335-F337 VanDerWaalsContact C-N 3.27Å; D335-F337 PolarHBondContact O-N 3.19Å; D335-R341 IonicContact OD1-CZ 3.31Å; D335-R341 IonicContact OD1-NE 2.53Å; D335-R341 PolarHBondContact OD1-NE 2.99Å; D335-R341 IonicContact OD1-NH2 2.77Å; D335-R341 PolarHBondContact OD1-NH2 2.73Å; D335-R341 IonicContact OD2-CZ 2.73Å; D335-R341 IonicContact OD2-NE 2.91Å; D335-R341 IonicContact OD2-NH2 2.96Å; D335-R341 PolarHBondContact OD2-NH2 3.46Å
336	W	62.2	Low	72.4	Confident	213 Å²	213	89.6 Å²	89.6	81%	0.807	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-25.2	170.3	-172.7	-86.1	0	0	0	113.9	V334 P338	V334-W336 PolarHBondContact O-N 3.1Å; W336-P338 WeakPolarHBondContact O-CD 3.41Å
337	F	65.9	Low	72.3	Confident	126 Å²	126	89.4 Å²	89.4	55%	0.553	45%	0.45	S	S	*	.			trans	-115.4	96.6	-178.4	-68.2	-78	0	0	0	111.7	V334 D335 V339 F340	V334-F337 PolarHBondContact O-N 3.49Å; D335-F337 VanDerWaalsContact C-N 3.27Å; D335-F337 PolarHBondContact O-N 3.19Å; F337-V339 VanDerWaalsContact C-N 3.26Å; F337-V339 PolarHBondContact O-N 3.28Å; F337-V339 VanDerWaalsContact O-N 3.11Å; F337-F340 HydrophobicContact CB-CD2 4.32Å; F337-F340 PolarHBondContact O-N 2.97Å
338	P	64.5	Low	72.3	Confident	111 Å²	111	90.1 Å²	90.1	72%	0.721	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-59.2	-29.6	-171.2	-25.5	33.5	0	0	0	115.2	W336 F340	W336-P338 WeakPolarHBondContact O-CD 3.41Å; P338-F340 VanDerWaalsContact C-N 3.3Å; P338-F340 PolarHBondContact O-N 3.38Å
339	V	70.2	Confident	72.8	Confident	129 Å²	129	88.2 Å²	88.2	78%	0.782	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-70.1	-24.6	-173.3	-177.2	0	0	0	0	112.8	F337	F337-V339 VanDerWaalsContact C-N 3.26Å; F337-V339 PolarHBondContact O-N 3.28Å; F337-V339 VanDerWaalsContact O-N 3.11Å
340	F	69.9	Low	73.6	Confident	116 Å²	116	88.9 Å²	88.9	51%	0.509	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-105.6	-2.8	-174	-62.9	-69.4	0	0	0	114.4	F337 P338 D342 L343 V344	F337-F340 HydrophobicContact CB-CD2 4.32Å; F337-F340 PolarHBondContact O-N 2.97Å; P338-F340 VanDerWaalsContact C-N 3.3Å; P338-F340 PolarHBondContact O-N 3.38Å; F340-D342 PolarHBondContact O-N 3.19Å; F340-L343 PolarHBondContact O-N 3.4Å; F340-V344 HydrophobicContact CB-CG2 4.19Å; F340-V344 WeakPolarHBondContact O-CB 3.29Å; F340-V344 VanDerWaalsContact O-CG2 3.24Å; F340-V344 WeakPolarHBondContact O-CG2 3.29Å; F340-V344 PolarHBondContact O-N 3.26Å
341	R	69.8	Low	74.6	Confident	128 Å²	128	90.3 Å²	90.3	48%	0.483	46%	0.463	S	S	.	.	H	α-helix	trans	-57.5	-50.2	-169.1	-165.2	-178.5	-164.1	-163.3	4.8	113.4	D335 N345	D335-R341 IonicContact OD1-CZ 3.31Å; D335-R341 IonicContact OD1-NE 2.53Å; D335-R341 PolarHBondContact OD1-NE 2.99Å; D335-R341 IonicContact OD1-NH2 2.77Å; D335-R341 PolarHBondContact OD1-NH2 2.73Å; D335-R341 IonicContact OD2-CZ 2.73Å; D335-R341 IonicContact OD2-NE 2.91Å; D335-R341 IonicContact OD2-NH2 2.96Å; D335-R341 PolarHBondContact OD2-NH2 3.46Å; R341-N345 WeakPolarHBondContact O-CB 3.36Å; R341-N345 PolarHBondContact O-N 2.87Å; R341-N345 VanDerWaalsContact O-N 3.09Å
342	D	76	Confident	75.7	Confident	120 Å²	120	88.5 Å²	88.5	64%	0.642	46%	0.456	S	S	*	.	H	α-helix	trans	-72.9	-37.7	-176.5	-65.6	-27.6	0	0	0	112.1	F340 N345 I346	F340-D342 PolarHBondContact O-N 3.19Å; D342-N345 WeakPolarHBondContact O-CB 3.35Å; D342-N345 PolarHBondContact O-N 3.25Å; D342-I346 WeakPolarHBondContact O-CG1 3.43Å; D342-I346 PolarHBondContact O-N 2.99Å; D342-I346 VanDerWaalsContact O-N 3.09Å
343	L	79.4	Confident	76.9	Confident	124 Å²	124	91.7 Å²	91.7	65%	0.649	47%	0.467	S	S	*	.	H	α-helix	trans	-65.9	-43.5	178	-174.9	63.6	0	0	0	111.5	F340 N345 I346 G347	F340-L343 PolarHBondContact O-N 3.4Å; L343-N345 VanDerWaalsContact C-N 3.27Å; L343-N345 PolarHBondContact O-N 3.33Å; L343-I346 PolarHBondContact O-N 3.34Å; L343-G347 PolarHBondContact O-N 3.33Å
344	V	78.3	Confident	78.4	Confident	45 Å²	45	90.4 Å²	90.4	27%	0.273	47%	0.466	S	S	.	.	H	α-helix	trans	-63.9	-35.9	175.3	172.2	0	0	0	0	110.5	V334 F340 G347 L348	V334-V344 HydrophobicContact CG1-CB 4.38Å; V334-V344 HydrophobicContact CG1-CG1 4.22Å; V334-V344 HydrophobicContact CG1-CG2 4.16Å; F340-V344 HydrophobicContact CB-CG2 4.19Å; F340-V344 WeakPolarHBondContact O-CB 3.29Å; F340-V344 VanDerWaalsContact O-CG2 3.24Å; F340-V344 WeakPolarHBondContact O-CG2 3.29Å; F340-V344 PolarHBondContact O-N 3.26Å; V344-G347 PolarHBondContact O-N 2.93Å; V344-L348 HydrophobicContact CG1-CD1 3.7Å; V344-L348 HydrophobicContact CG1-CG 4.12Å; V344-L348 WeakPolarHBondContact O-CB 3.47Å; V344-L348 WeakPolarHBondContact O-CG 3.29Å; V344-L348 PolarHBondContact O-N 3.15Å
345	N	79.6	Confident	79.7	Confident	51 Å²	51	91.3 Å²	91.3	27%	0.273	47%	0.468	S	S	.	.	H	α-helix	trans	-63.5	-47.6	177.5	-166.4	4.7	0	0	0	113.5	Y331 R341 D342 L343 G347 K349	Y331-N345 VanDerWaalsContact CE1-CA 3.46Å; Y331-N345 HydrophobicContact CE1-CB 3.61Å; Y331-N345 WeakPolarHBondContact CE1-OD1 3.43Å; Y331-N345 WeakPolarHBondContact OH-CA 3.37Å; Y331-N345 PolarHBondContact OH-O 3.45Å; Y331-N345 PolarHBondContact OH-OD1 3.26Å; R341-N345 WeakPolarHBondContact O-CB 3.36Å; R341-N345 PolarHBondContact O-N 2.87Å; R341-N345 VanDerWaalsContact O-N 3.09Å; D342-N345 WeakPolarHBondContact O-CB 3.35Å; D342-N345 PolarHBondContact O-N 3.25Å; L343-N345 VanDerWaalsContact C-N 3.27Å; L343-N345 PolarHBondContact O-N 3.33Å; N345-G347 VanDerWaalsContact C-N 3.34Å; N345-K349 WeakPolarHBondContact O-CG 3.21Å; N345-K349 PolarHBondContact O-N 2.87Å; N345-K349 VanDerWaalsContact OD1-CE 3.24Å; N345-K349 WeakPolarHBondContact OD1-CE 3.48Å
346	I	84.2	Confident	81.2	Confident	119 Å²	119	88.5 Å²	88.5	61%	0.61	45%	0.453	S	S	*	.	H	α-helix	trans	-65.1	-43.3	177.1	-62.7	171.8	0	0	0	109.8	D342 L343 K349 A350	D342-I346 WeakPolarHBondContact O-CG1 3.43Å; D342-I346 PolarHBondContact O-N 2.99Å; D342-I346 VanDerWaalsContact O-N 3.09Å; L343-I346 PolarHBondContact O-N 3.34Å; I346-K349 PolarHBondContact O-N 3.36Å; I346-A350 WeakPolarHBondContact O-CB 3.48Å; I346-A350 PolarHBondContact O-N 2.68Å
347	G	85.7	Confident	82.7	Confident	41 Å²	41	80.5 Å²	80.5	42%	0.423	43%	0.427	S	S	.	.	H	α-helix	trans	-60.8	-46.7	179.2	0	0	0	0	0	113.6	L343 V344 N345 A350 F351	L343-G347 PolarHBondContact O-N 3.33Å; V344-G347 PolarHBondContact O-N 2.93Å; N345-G347 VanDerWaalsContact C-N 3.34Å; G347-A350 PolarHBondContact O-N 3.2Å; G347-F351 WeakPolarHBondContact O-CB 3.16Å; G347-F351 PolarHBondContact O-N 3.33Å
348	L	84.9	Confident	84.2	Confident	32 Å²	32	77.5 Å²	77.5	17%	0.168	42%	0.422	C	S	.	.	H	α-helix	trans	-66.4	-38.1	178.8	-74.1	173.6	0	0	0	112.3	L330 Y331 V344 F351 A352	L330-L348 HydrophobicContact CD1-CD2 4.45Å; Y331-L348 HydrophobicContact CD2-CD1 4.05Å; Y331-L348 HydrophobicContact CE1-CD1 4.09Å; Y331-L348 HydrophobicContact CE2-CB 4.35Å; Y331-L348 HydrophobicContact CE2-CD1 3.51Å; Y331-L348 WeakPolarHBondContact OH-CB 3.39Å; V344-L348 HydrophobicContact CG1-CD1 3.7Å; V344-L348 HydrophobicContact CG1-CG 4.12Å; V344-L348 WeakPolarHBondContact O-CB 3.47Å; V344-L348 WeakPolarHBondContact O-CG 3.29Å; V344-L348 PolarHBondContact O-N 3.15Å; L348-F351 PolarHBondContact O-N 2.9Å; L348-A352 WeakPolarHBondContact O-CB 3.47Å; L348-A352 PolarHBondContact O-N 3.49Å
349	K	87	Confident	85.6	Confident	100 Å²	100	74.1 Å²	74.1	44%	0.435	40%	0.398	S	S	.	.	H	α-helix	trans	-65.9	-43.5	173.9	-74.7	176.5	178.5	176.9	0	112	N324 N345 I346 F351 A352 F353	N324-K349 WeakPolarHBondContact OD1-CG 3.49Å; N345-K349 WeakPolarHBondContact O-CG 3.21Å; N345-K349 PolarHBondContact O-N 2.87Å; N345-K349 VanDerWaalsContact OD1-CE 3.24Å; N345-K349 WeakPolarHBondContact OD1-CE 3.48Å; I346-K349 PolarHBondContact O-N 3.36Å; K349-F351 VanDerWaalsContact C-N 3.34Å; K349-A352 PolarHBondContact O-N 3.14Å; K349-F353 WeakPolarHBondContact O-CB 3.35Å; K349-F353 PolarHBondContact O-N 3.46Å
350	A	89.8	Confident	86.9	Confident	52 Å²	52	68.7 Å²	68.7	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-62.2	-43	175.7	0	0	0	0	0	111.3	I346 G347 F353 C354	I346-A350 WeakPolarHBondContact O-CB 3.48Å; I346-A350 PolarHBondContact O-N 2.68Å; G347-A350 PolarHBondContact O-N 3.2Å; A350-F353 PolarHBondContact O-N 3.33Å; A350-C354 PolarHBondContact O-N 2.87Å; A350-C354 PolarHBondContact O-SG 2.87Å; A350-C354 VanDerWaalsContact O-SG 3.36Å
351	F	89.6	Confident	88	Confident	111 Å²	111	68.7 Å²	68.7	49%	0.487	37%	0.37	S	S	.	.	H	α-helix	trans	-59.6	-49.8	173.4	173	-98.9	0	0	0	111.9	G347 L348 K349 F353 C354 M355	G347-F351 WeakPolarHBondContact O-CB 3.16Å; G347-F351 PolarHBondContact O-N 3.33Å; L348-F351 PolarHBondContact O-N 2.9Å; K349-F351 VanDerWaalsContact C-N 3.34Å; F351-F353 VanDerWaalsContact C-N 3.27Å; F351-F353 PolarHBondContact O-N 2.58Å; F351-C354 PolarHBondContact O-N 2.93Å; F351-M355 HydrophobicContact CE1-CE 4.37Å; F351-M355 HydrophobicContact CE2-CE 3.84Å; F351-M355 HydrophobicContact CZ-CE 3.5Å; F351-M355 VanDerWaalsContact O-CB 3.3Å; F351-M355 WeakPolarHBondContact O-CB 3.45Å; F351-M355 PolarHBondContact O-N 3.02Å
352	A	91	Very high	89.2	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-59.5	-38.3	178.1	0	0	0	0	0	111.8	F320 L323 L348 K349 A356	F320-A352 HydrophobicContact CD2-CB 4.14Å; F320-A352 HydrophobicContact CE2-CB 3.97Å; L323-A352 HydrophobicContact CB-CB 3.99Å; L348-A352 WeakPolarHBondContact O-CB 3.47Å; L348-A352 PolarHBondContact O-N 3.49Å; K349-A352 PolarHBondContact O-N 3.14Å; A352-A356 WeakPolarHBondContact O-CB 3.43Å; A352-A356 PolarHBondContact O-N 3.09Å
353	F	93.5	Very high	90.1	Very high	100 Å²	100	63 Å²	63	44%	0.439	35%	0.349	S	S	.	.	H	α-helix	trans	-64.4	-49.4	176.6	-179	-84.8	0	0	0	111.7	W316 F320 K349 A350 F351 M355 A356 T357	W316-F353 HydrophobicContact CH2-CD2 4.05Å; W316-F353 AromaticContact CH2-CE2 3.72Å; W316-F353 HydrophobicContact CH2-CE2 3.72Å; W316-F353 AromaticContact CZ2-CD2 3.57Å; W316-F353 HydrophobicContact CZ2-CD2 3.57Å; W316-F353 AromaticContact CZ2-CE2 3.34Å; W316-F353 HydrophobicContact CZ2-CE2 3.34Å; W316-F353 HydrophobicContact CZ2-CZ 4.12Å; F320-F353 HydrophobicContact CD2-CB 4.23Å; F320-F353 HydrophobicContact CE2-CB 3.76Å; F320-F353 HydrophobicContact CE2-CD2 4.46Å; K349-F353 WeakPolarHBondContact O-CB 3.35Å; K349-F353 PolarHBondContact O-N 3.46Å; A350-F353 PolarHBondContact O-N 3.33Å; F351-F353 VanDerWaalsContact C-N 3.27Å; F351-F353 PolarHBondContact O-N 2.58Å; F353-M355 VanDerWaalsContact C-N 3.34Å; F353-M355 PolarHBondContact O-N 2.83Å; F353-A356 PolarHBondContact O-N 3.48Å; F353-T357 WeakPolarHBondContact O-CB 3.29Å; F353-T357 PolarHBondContact O-N 2.7Å; F353-T357 PolarHBondContact O-OG1 2.85Å
354	C	94.6	Very high	90.8	Very high	75 Å²	75	58.1 Å²	58.1	51%	0.507	32%	0.324	S	S	.	.	H	α-helix	trans	-61.4	-43.8	177.6	-70.8	0	0	0	0	111.4	A350 F351 T357 S358	A350-C354 PolarHBondContact O-N 2.87Å; A350-C354 PolarHBondContact O-SG 2.87Å; A350-C354 VanDerWaalsContact O-SG 3.36Å; F351-C354 PolarHBondContact O-N 2.93Å; C354-T357 PolarHBondContact O-N 3.05Å; C354-S358 WeakPolarHBondContact O-CB 3.47Å; C354-S358 PolarHBondContact O-N 3.15Å; C354-S358 PolarHBondContact O-OG 2.76Å
355	M	93.3	Very high	91.4	Very high	66 Å²	66	58.6 Å²	58.6	33%	0.325	33%	0.332	S	S	.	.	H	α-helix	trans	-65.1	-49.3	178.8	-173.1	62.3	73.9	0	0	111.7	L323 F351 F353 T357 S358 L359	L323-M355 HydrophobicContact CD1-CB 3.99Å; L323-M355 HydrophobicContact CD1-CG 3.92Å; F351-M355 HydrophobicContact CE1-CE 4.37Å; F351-M355 HydrophobicContact CE2-CE 3.84Å; F351-M355 HydrophobicContact CZ-CE 3.5Å; F351-M355 VanDerWaalsContact O-CB 3.3Å; F351-M355 WeakPolarHBondContact O-CB 3.45Å; F351-M355 PolarHBondContact O-N 3.02Å; F353-M355 VanDerWaalsContact C-N 3.34Å; F353-M355 PolarHBondContact O-N 2.83Å; M355-T357 VanDerWaalsContact C-N 3.31Å; M355-T357 PolarHBondContact O-N 2.53Å; M355-S358 PolarHBondContact O-N 3.5Å; M355-L359 HydrophobicContact CG-CD1 3.7Å; M355-L359 HydrophobicContact CG-CG 4.37Å; M355-L359 WeakPolarHBondContact O-CB 3.37Å; M355-L359 WeakPolarHBondContact O-CG 3.5Å; M355-L359 PolarHBondContact O-N 2.78Å; M355-L359 HydrophobicContact SD-CD1 3.82Å; M355-L359 HydrophobicContact SD-CG 4.07Å
356	A	95.2	Very high	91.9	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-58.5	-43.1	176.9	0	0	0	0	0	111.8	M319 F320 L323 A352 F353 T360	M319-A356 HydrophobicContact CB-CB 4.4Å; M319-A356 HydrophobicContact CG-CB 4.23Å; M319-A356 HydrophobicContact SD-CB 4.4Å; F320-A356 HydrophobicContact CB-CB 3.98Å; F320-A356 HydrophobicContact CD2-CB 4.44Å; L323-A356 HydrophobicContact CD1-CB 4.07Å; A352-A356 WeakPolarHBondContact O-CB 3.43Å; A352-A356 PolarHBondContact O-N 3.09Å; F353-A356 PolarHBondContact O-N 3.48Å; A356-T360 WeakPolarHBondContact O-CB 3.47Å; A356-T360 PolarHBondContact O-N 2.86Å; A356-T360 PolarHBondContact O-OG1 2.69Å
357	T	95.2	Very high	92.3	Very high	44 Å²	44	52.7 Å²	52.7	27%	0.27	31%	0.309	S	S	.	.	H	α-helix	trans	-63.4	-47.7	177.6	-57.1	0	0	0	0	111	W316 F353 C354 M355 T360 L361	W316-T357 PolarHBondContact NE1-OG1 3.18Å; F353-T357 WeakPolarHBondContact O-CB 3.29Å; F353-T357 PolarHBondContact O-N 2.7Å; F353-T357 PolarHBondContact O-OG1 2.85Å; C354-T357 PolarHBondContact O-N 3.05Å; M355-T357 VanDerWaalsContact C-N 3.31Å; M355-T357 PolarHBondContact O-N 2.53Å; T357-T360 PolarHBondContact O-N 2.77Å; T357-L361 HydrophobicContact CG2-CD1 4.21Å; T357-L361 VanDerWaalsContact O-CG 3.29Å; T357-L361 WeakPolarHBondContact O-CG 3.1Å; T357-L361 PolarHBondContact O-N 3.43Å
358	S	96.6	Very high	92.5	Very high	63 Å²	63	54.5 Å²	54.5	44%	0.441	30%	0.303	S	S	.	.	H	α-helix	trans	-63.1	-47.7	-179	-57.7	0	0	0	0	111.6	C354 M355 L361 L362	C354-S358 WeakPolarHBondContact O-CB 3.47Å; C354-S358 PolarHBondContact O-N 3.15Å; C354-S358 PolarHBondContact O-OG 2.76Å; M355-S358 PolarHBondContact O-N 3.5Å; S358-L361 PolarHBondContact O-N 2.85Å; S358-L362 VanDerWaalsContact O-CG 3.31Å; S358-L362 WeakPolarHBondContact O-CG 3.46Å; S358-L362 PolarHBondContact O-N 2.84Å
359	L	94.4	Very high	92.7	Very high	41 Å²	41	57.9 Å²	57.9	22%	0.215	32%	0.321	C	S	.	.	H	α-helix	trans	-67	-37.1	178.8	-69.4	171.6	0	0	0	112.3	F43 F47 M319 M355 L362 T363	F43-L359 HydrophobicContact CE2-CD1 3.86Å; F43-L359 HydrophobicContact CZ-CD1 3.77Å; F47-L359 HydrophobicContact CE1-CB 4.18Å; F47-L359 HydrophobicContact CZ-CB 4.1Å; F47-L359 HydrophobicContact CZ-CD1 4.15Å; F47-L359 HydrophobicContact CZ-CD2 4.4Å; F47-L359 HydrophobicContact CZ-CG 4.46Å; M319-L359 HydrophobicContact CE-CB 4.24Å; M319-L359 HydrophobicContact SD-CB 3.53Å; M319-L359 VanDerWaalsContact SD-CB 3.53Å; M319-L359 HydrophobicContact SD-CD1 4.37Å; M355-L359 HydrophobicContact CG-CD1 3.7Å; M355-L359 HydrophobicContact CG-CG 4.37Å; M355-L359 WeakPolarHBondContact O-CB 3.37Å; M355-L359 WeakPolarHBondContact O-CG 3.5Å; M355-L359 PolarHBondContact O-N 2.78Å; M355-L359 HydrophobicContact SD-CD1 3.82Å; M355-L359 HydrophobicContact SD-CG 4.07Å; L359-L362 PolarHBondContact O-N 3.31Å; L359-T363 WeakPolarHBondContact O-CB 3.45Å; L359-T363 PolarHBondContact O-N 2.75Å; L359-T363 PolarHBondContact O-OG1 3.41Å
360	T	96	Very high	92.9	Very high	14 Å²	14	59.9 Å²	59.9	9%	0.086	33%	0.329	C	S	.	.	H	α-helix	trans	-61.6	-48.4	173.2	-65.6	0	0	0	0	111	I50 W316 A356 T357 L362 T363 V364	I50-T360 HydrophobicContact CD1-CG2 4.07Å; W316-T360 HydrophobicContact CB-CG2 4.22Å; A356-T360 WeakPolarHBondContact O-CB 3.47Å; A356-T360 PolarHBondContact O-N 2.86Å; A356-T360 PolarHBondContact O-OG1 2.69Å; T357-T360 PolarHBondContact O-N 2.77Å; T360-L362 VanDerWaalsContact C-N 3.34Å; T360-L362 PolarHBondContact O-N 3.26Å; T360-T363 PolarHBondContact O-N 3.22Å; T360-V364 WeakPolarHBondContact O-CG2 3.23Å; T360-V364 PolarHBondContact O-N 2.88Å
361	L	94.6	Very high	92.9	Very high	117 Å²	117	60.9 Å²	60.9	61%	0.613	32%	0.323	S	S	*	.	H	α-helix	trans	-61	-43.2	178	-70.6	173.4	0	0	0	111.7	T357 S358 T363 V364 A365	T357-L361 HydrophobicContact CG2-CD1 4.21Å; T357-L361 VanDerWaalsContact O-CG 3.29Å; T357-L361 WeakPolarHBondContact O-CG 3.1Å; T357-L361 PolarHBondContact O-N 3.43Å; S358-L361 PolarHBondContact O-N 2.85Å; L361-T363 VanDerWaalsContact C-N 3.33Å; L361-T363 PolarHBondContact O-N 3.18Å; L361-V364 PolarHBondContact O-N 2.98Å; L361-A365 WeakPolarHBondContact O-CB 3.41Å; L361-A365 PolarHBondContact O-N 3.14Å
362	L	95	Very high	92.9	Very high	116 Å²	116	59.2 Å²	59.2	61%	0.607	31%	0.313	S	S	*	.	H	α-helix	trans	-62.1	-40	174.9	-72.3	172.9	0	0	0	112	S358 L359 T360 A365 A366	S358-L362 VanDerWaalsContact O-CG 3.31Å; S358-L362 WeakPolarHBondContact O-CG 3.46Å; S358-L362 PolarHBondContact O-N 2.84Å; L359-L362 PolarHBondContact O-N 3.31Å; T360-L362 VanDerWaalsContact C-N 3.34Å; T360-L362 PolarHBondContact O-N 3.26Å; L362-A365 PolarHBondContact O-N 2.84Å; L362-A366 WeakPolarHBondContact O-CB 3.24Å; L362-A366 PolarHBondContact O-N 2.83Å
363	T	94.8	Very high	92.7	Very high	13 Å²	13	62.3 Å²	62.3	8%	0.08	33%	0.333	C	S	.	.	H	α-helix	trans	-66.9	-43.2	178.5	-53.7	0	0	0	0	111.5	F47 I50 F51 L359 T360 L361 A366 G367	F47-T363 HydrophobicContact CD1-CG2 4.11Å; F47-T363 WeakPolarHBondContact CD1-OG1 3.11Å; F47-T363 WeakPolarHBondContact CE1-OG1 3.26Å; I50-T363 HydrophobicContact CB-CG2 3.99Å; I50-T363 HydrophobicContact CG2-CG2 3.81Å; F51-T363 HydrophobicContact CB-CG2 4.16Å; L359-T363 WeakPolarHBondContact O-CB 3.45Å; L359-T363 PolarHBondContact O-N 2.75Å; L359-T363 PolarHBondContact O-OG1 3.41Å; T360-T363 PolarHBondContact O-N 3.22Å; L361-T363 VanDerWaalsContact C-N 3.33Å; L361-T363 PolarHBondContact O-N 3.18Å; T363-A366 PolarHBondContact O-N 2.93Å; T363-G367 PolarHBondContact O-N 3.37Å
364	V	93.7	Very high	92.3	Very high	20 Å²	20	64.4 Å²	64.4	12%	0.121	35%	0.348	C	S	.	.	H	α-helix	trans	-62.5	-44.6	174.1	172.4	0	0	0	0	110.4	I50 R312 T360 L361 A366 G367 W368	I50-V364 HydrophobicContact CG2-CG2 3.64Å; R312-V364 HydrophobicContact CG-CG2 4.45Å; T360-V364 WeakPolarHBondContact O-CG2 3.23Å; T360-V364 PolarHBondContact O-N 2.88Å; L361-V364 PolarHBondContact O-N 2.98Å; V364-A366 PolarHBondContact O-N 3.19Å; V364-G367 PolarHBondContact O-N 3.24Å; V364-W368 VanDerWaalsContact O-CD1 3.24Å; V364-W368 PolarHBondContact O-N 3.38Å
365	A	90.6	Very high	91.8	Very high	55 Å²	55	68.4 Å²	68.4	46%	0.455	35%	0.353	S	S	.	.	H	α-helix	trans	-61.9	-41.5	177	0	0	0	0	0	112.2	L361 L362 G367 W368 L369	L361-A365 WeakPolarHBondContact O-CB 3.41Å; L361-A365 PolarHBondContact O-N 3.14Å; L362-A365 PolarHBondContact O-N 2.84Å; A365-G367 VanDerWaalsContact C-N 3.34Å; A365-W368 PolarHBondContact O-N 2.88Å; A365-L369 PolarHBondContact O-N 2.94Å
366	A	91.1	Very high	91.4	Very high	47 Å²	47	66.1 Å²	66.1	39%	0.388	34%	0.344	S	S	.	.	H	α-helix	trans	-62.4	-41.7	173.8	0	0	0	0	0	111.5	L362 T363 V364 W368 L369 F370	L362-A366 WeakPolarHBondContact O-CB 3.24Å; L362-A366 PolarHBondContact O-N 2.83Å; T363-A366 PolarHBondContact O-N 2.93Å; V364-A366 PolarHBondContact O-N 3.19Å; A366-W368 VanDerWaalsContact C-N 3.32Å; A366-W368 PolarHBondContact O-N 3.07Å; A366-L369 PolarHBondContact O-N 2.7Å; A366-F370 WeakPolarHBondContact O-CB 3.38Å; A366-F370 PolarHBondContact O-N 3.37Å
367	G	91.4	Very high	91	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-59.8	-41.2	172.3	0	0	0	0	0	112.3	T363 V364 A365 F370 Y371	T363-G367 PolarHBondContact O-N 3.37Å; V364-G367 PolarHBondContact O-N 3.24Å; A365-G367 VanDerWaalsContact C-N 3.34Å; G367-F370 PolarHBondContact O-N 3.1Å; G367-Y371 WeakPolarHBondContact O-CB 3.49Å; G367-Y371 VanDerWaalsContact O-CD2 3.23Å; G367-Y371 WeakPolarHBondContact O-CD2 3.39Å; G367-Y371 PolarHBondContact O-N 3.2Å
368	W	89.8	Confident	90.7	Very high	79 Å²	79	73.6 Å²	73.6	30%	0.299	38%	0.382	S	S	.	.	H	α-helix	trans	-67.3	-39.1	175.7	-78.2	33.6	0	0	0	112.3	E54 V364 A365 A366 F370 R372 I379	E54-W368 PolarHBondContact OE2-NE1 2.93Å; V364-W368 VanDerWaalsContact O-CD1 3.24Å; V364-W368 PolarHBondContact O-N 3.38Å; A365-W368 PolarHBondContact O-N 2.88Å; A366-W368 VanDerWaalsContact C-N 3.32Å; A366-W368 PolarHBondContact O-N 3.07Å; W368-F370 VanDerWaalsContact C-N 3.33Å; W368-F370 PolarHBondContact O-N 2.93Å; W368-R372 CarbonylContact O-C 3.48Å; W368-R372 WeakPolarHBondContact O-CA 3.39Å; W368-R372 WeakPolarHBondContact O-CB 3.33Å; W368-R372 PolarHBondContact O-N 2.8Å; W368-R372 VanDerWaalsContact O-O 3.07Å; W368-I379 HydrophobicContact CE3-CD1 4.02Å; W368-I379 HydrophobicContact CZ3-CD1 3.72Å
369	L	89.6	Confident	90.2	Very high	103 Å²	103	74.4 Å²	74.4	54%	0.539	38%	0.38	S	S	.	.	H	α-helix	trans	-63.4	-41.3	175.3	-173.8	65.6	0	0	0	111.7	A365 A366 P373 A376	A365-L369 PolarHBondContact O-N 2.94Å; A366-L369 PolarHBondContact O-N 2.7Å; L369-P373 WeakPolarHBondContact O-CA 3.34Å; L369-P373 WeakPolarHBondContact O-CB 3.29Å; L369-A376 HydrophobicContact CB-CB 4.19Å; L369-A376 HydrophobicContact CD1-CB 3.79Å
370	F	91.3	Very high	89.8	Confident	141 Å²	141	74.9 Å²	74.9	62%	0.618	39%	0.39	S	S	*	.	H	α-helix	trans	-74.6	-49.5	-178.2	-171.1	-95.3	0	0	0	112.5	F51 A366 G367 W368	F51-F370 HydrophobicContact CE1-CD1 4.48Å; F51-F370 HydrophobicContact CE2-CB 4.18Å; F51-F370 HydrophobicContact CZ-CB 3.99Å; F51-F370 AromaticContact CZ-CD1 3.85Å; F51-F370 HydrophobicContact CZ-CD1 3.85Å; F51-F370 HydrophobicContact CZ-CE1 4.49Å; F51-F370 AromaticContact CZ-CG 3.86Å; F51-F370 HydrophobicContact CZ-CG 3.86Å; A366-F370 WeakPolarHBondContact O-CB 3.38Å; A366-F370 PolarHBondContact O-N 3.37Å; G367-F370 PolarHBondContact O-N 3.1Å; W368-F370 VanDerWaalsContact C-N 3.33Å; W368-F370 PolarHBondContact O-N 2.93Å
371	Y	89.9	Confident	89.3	Confident	74 Å²	74	76 Å²	76	29%	0.29	40%	0.404	S	S	.	.	H	α-helix	trans	-90.6	-24.4	-174.6	-62.5	-64.8	0	0	0	113.4	F51 E54 G55 L58 G367	F51-Y371 HydrophobicContact CD1-CE2 4.19Å; F51-Y371 AromaticContact CE1-CE2 3.77Å; F51-Y371 HydrophobicContact CE1-CE2 3.77Å; F51-Y371 AromaticContact CE1-CZ 3.83Å; F51-Y371 VanDerWaalsContact CE1-OH 3.3Å; F51-Y371 WeakPolarHBondContact CE1-OH 3.34Å; F51-Y371 HydrophobicContact CE2-CE2 4.33Å; F51-Y371 AromaticContact CZ-CE2 3.85Å; F51-Y371 HydrophobicContact CZ-CE2 3.85Å; F51-Y371 WeakPolarHBondContact O-CE2 3.47Å; E54-Y371 HydrophobicContact CB-CD2 4.03Å; E54-Y371 HydrophobicContact CB-CE2 4.41Å; G55-Y371 VanDerWaalsContact CA-CE2 3.48Å; L58-Y371 WeakPolarHBondContact CD2-O 3.26Å; G367-Y371 WeakPolarHBondContact O-CB 3.49Å; G367-Y371 VanDerWaalsContact O-CD2 3.23Å; G367-Y371 WeakPolarHBondContact O-CD2 3.39Å; G367-Y371 PolarHBondContact O-N 3.2Å
372	R	88.4	Confident	89	Confident	76 Å²	76	75.8 Å²	75.8	29%	0.287	40%	0.403	S	S	.	.			trans	-133.9	58.2	-178.3	-57.7	-176.4	-176	-155.5	-6.7	112.3	L58 W368 L374 W375 A376	L58-R372 HydrophobicContact CD1-CG 4.09Å; L58-R372 HydrophobicContact CD2-CG 3.71Å; L58-R372 HydrophobicContact CG-CG 4.41Å; W368-R372 CarbonylContact O-C 3.48Å; W368-R372 WeakPolarHBondContact O-CA 3.39Å; W368-R372 WeakPolarHBondContact O-CB 3.33Å; W368-R372 PolarHBondContact O-N 2.8Å; W368-R372 VanDerWaalsContact O-O 3.07Å; R372-L374 VanDerWaalsContact C-N 3.3Å; R372-L374 PolarHBondContact O-N 3.42Å; R372-L374 VanDerWaalsContact O-N 3.15Å; R372-W375 HydrophobicContact CB-CB 4.31Å; R372-W375 PolarHBondContact O-N 2.93Å; R372-W375 VanDerWaalsContact O-N 3.11Å; R372-A376 PolarHBondContact O-N 3.07Å; R372-A376 VanDerWaalsContact O-N 3.09Å
373	P	87.3	Confident	88.5	Confident	65 Å²	65	73.3 Å²	73.3	42%	0.422	40%	0.399	S	S	.	.	H	α-helix	trans	-56.8	-38.4	-169.7	21.1	-33.5	0	0	0	113.9	L369 A376 L377	L369-P373 WeakPolarHBondContact O-CA 3.34Å; L369-P373 WeakPolarHBondContact O-CB 3.29Å; P373-A376 PolarHBondContact O-N 2.87Å; P373-L377 WeakPolarHBondContact O-CB 3.43Å; P373-L377 VanDerWaalsContact O-CG 3.31Å; P373-L377 WeakPolarHBondContact O-CG 3.44Å; P373-L377 PolarHBondContact O-N 2.77Å
374	L	86.3	Confident	88.1	Confident	143 Å²	143	77.1 Å²	77.1	75%	0.749	42%	0.419	S	S	*	.	H	α-helix	trans	-63.7	-43.1	179.5	-64.6	176.4	0	0	0	112.8	R372 L377 L378	R372-L374 VanDerWaalsContact C-N 3.3Å; R372-L374 PolarHBondContact O-N 3.42Å; R372-L374 VanDerWaalsContact O-N 3.15Å; L374-L377 PolarHBondContact O-N 2.85Å; L374-L378 WeakPolarHBondContact O-CB 3.48Å; L374-L378 PolarHBondContact O-N 2.87Å
375	W	83.4	Confident	87.7	Confident	160 Å²	160	79.8 Å²	79.8	61%	0.606	44%	0.435	S	S	*	.	H	α-helix	trans	-68.5	-38.8	176.8	-77.7	105	0	0	0	111.5	R372 L378 I379	R372-W375 HydrophobicContact CB-CB 4.31Å; R372-W375 PolarHBondContact O-N 2.93Å; R372-W375 VanDerWaalsContact O-N 3.11Å; W375-L378 HydrophobicContact CE3-CD2 4.46Å; W375-L378 PolarHBondContact O-N 2.87Å; W375-I379 WeakPolarHBondContact O-CG1 3.48Å; W375-I379 PolarHBondContact O-N 2.87Å
376	A	85	Confident	87.4	Confident	17 Å²	17	81.3 Å²	81.3	14%	0.14	44%	0.44	C	S	.	.	H	α-helix	trans	-62.3	-44.2	175.5	0	0	0	0	0	111.8	L369 R372 P373 I379 A380	L369-A376 HydrophobicContact CB-CB 4.19Å; L369-A376 HydrophobicContact CD1-CB 3.79Å; R372-A376 PolarHBondContact O-N 3.07Å; R372-A376 VanDerWaalsContact O-N 3.09Å; P373-A376 PolarHBondContact O-N 2.87Å; A376-I379 PolarHBondContact O-N 2.89Å; A376-A380 WeakPolarHBondContact O-CB 3.36Å; A376-A380 PolarHBondContact O-N 2.83Å
377	L	87.6	Confident	87.1	Confident	112 Å²	112	83.3 Å²	83.3	59%	0.586	44%	0.444	S	S	*	.	H	α-helix	trans	-63.4	-41.4	175.5	-73.2	172.7	0	0	0	112.3	P373 L374 A380 G381	P373-L377 WeakPolarHBondContact O-CB 3.43Å; P373-L377 VanDerWaalsContact O-CG 3.31Å; P373-L377 WeakPolarHBondContact O-CG 3.44Å; P373-L377 PolarHBondContact O-N 2.77Å; L374-L377 PolarHBondContact O-N 2.85Å; L377-A380 PolarHBondContact O-N 2.97Å; L377-G381 PolarHBondContact O-N 3.41Å
378	L	88.4	Confident	86.8	Confident	90 Å²	90	88 Å²	88	47%	0.471	47%	0.468	S	S	.	.	H	α-helix	trans	-61.4	-46.6	177	-178.5	145.8	0	0	0	111.4	L374 W375 G381 L382	L374-L378 WeakPolarHBondContact O-CB 3.48Å; L374-L378 PolarHBondContact O-N 2.87Å; W375-L378 HydrophobicContact CE3-CD2 4.46Å; W375-L378 PolarHBondContact O-N 2.87Å; L378-G381 PolarHBondContact O-N 2.84Å; L378-L382 HydrophobicContact CD2-CD1 3.68Å; L378-L382 HydrophobicContact CD2-CG 4.42Å; L378-L382 WeakPolarHBondContact O-CG 3.48Å; L378-L382 PolarHBondContact O-N 2.84Å
379	I	86.6	Confident	86.7	Confident	79 Å²	79	87 Å²	87	41%	0.405	47%	0.47	S	S	.	.	H	α-helix	trans	-65	-42.1	177.6	-67.2	168	0	0	0	110.7	W368 W375 A376 G381 L382 A383	W368-I379 HydrophobicContact CE3-CD1 4.02Å; W368-I379 HydrophobicContact CZ3-CD1 3.72Å; W375-I379 WeakPolarHBondContact O-CG1 3.48Å; W375-I379 PolarHBondContact O-N 2.87Å; A376-I379 PolarHBondContact O-N 2.89Å; I379-G381 VanDerWaalsContact C-N 3.34Å; I379-G381 PolarHBondContact O-N 2.73Å; I379-L382 PolarHBondContact O-N 3.24Å; I379-A383 WeakPolarHBondContact O-CB 3.43Å; I379-A383 PolarHBondContact O-N 3.43Å
380	A	84.5	Confident	86.2	Confident	51 Å²	51	84.8 Å²	84.8	42%	0.421	47%	0.467	S	S	.	.	H	α-helix	trans	-61.3	-42.3	175.8	0	0	0	0	0	111.9	A376 L377 A383 L384	A376-A380 WeakPolarHBondContact O-CB 3.36Å; A376-A380 PolarHBondContact O-N 2.83Å; L377-A380 PolarHBondContact O-N 2.97Å; A380-A383 PolarHBondContact O-N 2.88Å; A380-L384 WeakPolarHBondContact O-CG 3.34Å; A380-L384 PolarHBondContact O-N 3.13Å
381	G	85.1	Confident	85.7	Confident	38 Å²	38	87.1 Å²	87.1	39%	0.392	47%	0.471	S	S	.	.	H	α-helix	trans	-60.7	-47.2	174.2	0	0	0	0	0	112.3	L377 L378 I379 A383 L384	L377-G381 PolarHBondContact O-N 3.41Å; L378-G381 PolarHBondContact O-N 2.84Å; I379-G381 VanDerWaalsContact C-N 3.34Å; I379-G381 PolarHBondContact O-N 2.73Å; G381-A383 VanDerWaalsContact C-N 3.3Å; G381-A383 PolarHBondContact O-N 3.09Å; G381-L384 PolarHBondContact O-N 3.45Å; G381-L384 VanDerWaalsContact O-N 3.16Å
382	L	88.5	Confident	85.1	Confident	112 Å²	112	87.6 Å²	87.6	59%	0.586	48%	0.482	S	S	*	.	H	α-helix	trans	-61	-37.8	175.5	-71.8	175.2	0	0	0	112.3	L378 I379 L384 V385	L378-L382 HydrophobicContact CD2-CD1 3.68Å; L378-L382 HydrophobicContact CD2-CG 4.42Å; L378-L382 WeakPolarHBondContact O-CG 3.48Å; L378-L382 PolarHBondContact O-N 2.84Å; I379-L382 PolarHBondContact O-N 3.24Å; L382-L384 VanDerWaalsContact C-N 3.25Å; L382-L384 PolarHBondContact O-N 3.42Å; L382-V385 WeakPolarHBondContact O-CB 3.24Å; L382-V385 PolarHBondContact O-N 3.09Å
383	A	84.7	Confident	84	Confident	64 Å²	64	92.7 Å²	92.7	53%	0.529	50%	0.501	S	S	.	.	H	α-helix	trans	-66	-25.2	177.4	0	0	0	0	0	113.4	I379 A380 G381 P386	I379-A383 WeakPolarHBondContact O-CB 3.43Å; I379-A383 PolarHBondContact O-N 3.43Å; A380-A383 PolarHBondContact O-N 2.88Å; G381-A383 VanDerWaalsContact C-N 3.3Å; G381-A383 PolarHBondContact O-N 3.09Å; A383-P386 WeakPolarHBondContact O-CD 3.46Å
384	L	86.1	Confident	82.6	Confident	94 Å²	94	94 Å²	94	49%	0.492	51%	0.508	S	S	.	.	H	α-helix	trans	-79.9	-18.8	176.2	-68	172.5	0	0	0	113.3	A380 G381 L382 I387 I388	A380-L384 WeakPolarHBondContact O-CG 3.34Å; A380-L384 PolarHBondContact O-N 3.13Å; G381-L384 PolarHBondContact O-N 3.45Å; G381-L384 VanDerWaalsContact O-N 3.16Å; L382-L384 VanDerWaalsContact C-N 3.25Å; L382-L384 PolarHBondContact O-N 3.42Å; L384-I387 HydrophobicContact CD2-CD1 4.32Å; L384-I387 PolarHBondContact O-N 3Å; L384-I387 VanDerWaalsContact O-N 3.16Å; L384-I388 HydrophobicContact CB-CD1 4.17Å; L384-I388 WeakPolarHBondContact O-CG1 3.4Å; L384-I388 PolarHBondContact O-N 2.94Å
385	V	87	Confident	81.1	Confident	75 Å²	75	90.9 Å²	90.9	46%	0.455	50%	0.498	S	S	.	.	H	α-helix	trans	-56.3	-49.1	-176.5	175.1	0	0	0	0	112.7	L382 I387 I388 V389	L382-V385 WeakPolarHBondContact O-CB 3.24Å; L382-V385 PolarHBondContact O-N 3.09Å; V385-I387 VanDerWaalsContact C-N 3.3Å; V385-I387 PolarHBondContact O-N 2.87Å; V385-I388 PolarHBondContact O-N 3.35Å; V385-V389 HydrophobicContact CG1-CG2 4.3Å; V385-V389 VanDerWaalsContact O-CG2 3.29Å; V385-V389 WeakPolarHBondContact O-CG2 3.39Å; V385-V389 PolarHBondContact O-N 3.38Å
386	P	83.7	Confident	79.6	Confident	87 Å²	87	86.2 Å²	86.2	57%	0.565	49%	0.494	S	S	*	.	H	α-helix	trans	-62.8	-35	178.8	-22.3	34.6	0	0	0	113.2	A383 A390	A383-P386 WeakPolarHBondContact O-CD 3.46Å; P386-A390 WeakPolarHBondContact O-CB 3.45Å; P386-A390 PolarHBondContact O-N 2.96Å
387	I	85.5	Confident	78.1	Confident	90 Å²	90	93.4 Å²	93.4	46%	0.462	52%	0.522	S	S	.	.	H	α-helix	trans	-68.2	-44.4	179	-60.8	172.6	0	0	0	110.2	L384 V385 A390 R391	L384-I387 HydrophobicContact CD2-CD1 4.32Å; L384-I387 PolarHBondContact O-N 3Å; L384-I387 VanDerWaalsContact O-N 3.16Å; V385-I387 VanDerWaalsContact C-N 3.3Å; V385-I387 PolarHBondContact O-N 2.87Å; I387-A390 PolarHBondContact O-N 3.32Å; I387-R391 WeakPolarHBondContact O-CG 3.2Å; I387-R391 PolarHBondContact O-N 3.11Å
388	I	84.9	Confident	76.4	Confident	99 Å²	99	96.4 Å²	96.4	51%	0.508	53%	0.53	S	S	.	.	H	α-helix	trans	-62.8	-46.8	176.8	-65.7	166.5	0	0	0	109.9	L384 V385 A390 R391 T392	L384-I388 HydrophobicContact CB-CD1 4.17Å; L384-I388 WeakPolarHBondContact O-CG1 3.4Å; L384-I388 PolarHBondContact O-N 2.94Å; V385-I388 PolarHBondContact O-N 3.35Å; I388-A390 PolarHBondContact O-N 3.34Å; I388-R391 PolarHBondContact O-N 2.68Å; I388-T392 HydrophobicContact CG2-CG2 4.43Å; I388-T392 WeakPolarHBondContact O-CG2 3.41Å; I388-T392 PolarHBondContact O-N 2.75Å; I388-T392 PolarHBondContact O-OG1 2.69Å
389	V	86.2	Confident	74.5	Confident	58 Å²	58	99.6 Å²	99.6	35%	0.352	55%	0.547	S	S	.	.	H	α-helix	trans	-62	-40.1	177.6	172.3	0	0	0	0	112.2	V385 T392 R393	V385-V389 HydrophobicContact CG1-CG2 4.3Å; V385-V389 VanDerWaalsContact O-CG2 3.29Å; V385-V389 WeakPolarHBondContact O-CG2 3.39Å; V385-V389 PolarHBondContact O-N 3.38Å; V389-T392 WeakPolarHBondContact CA-OG1 3.48Å; V389-T392 PolarHBondContact O-OG1 3.29Å; V389-T392 VanDerWaalsContact O-OG1 3.06Å; V389-R393 WeakPolarHBondContact O-CG 3.48Å; V389-R393 PolarHBondContact O-N 2.96Å; V389-R393 VanDerWaalsContact O-N 3.13Å
390	A	80.8	Confident	72.5	Confident	56 Å²	56	106.7 Å²	106.7	46%	0.463	58%	0.578	S	S	.	*	H	α-helix	trans	-64.6	-42.5	176	0	0	0	0	0	111.6	P386 I387 I388 V394	P386-A390 WeakPolarHBondContact O-CB 3.45Å; P386-A390 PolarHBondContact O-N 2.96Å; I387-A390 PolarHBondContact O-N 3.32Å; I388-A390 PolarHBondContact O-N 3.34Å; A390-V394 VanDerWaalsContact O-CG2 3.3Å; A390-V394 WeakPolarHBondContact O-CG2 3.47Å; A390-V394 PolarHBondContact O-N 3.1Å; A390-V394 VanDerWaalsContact O-N 3.16Å
391	R	79.1	Confident	71.9	Confident	189 Å²	189	109.5 Å²	109.5	71%	0.713	59%	0.586	S	S	*	*	H	α-helix	trans	-66.7	-41	177.7	-75.2	-173.9	175.2	-169.9	-0.2	112.7	I387 I388 V394 S395	I387-R391 WeakPolarHBondContact O-CG 3.2Å; I387-R391 PolarHBondContact O-N 3.11Å; I388-R391 PolarHBondContact O-N 2.68Å; R391-V394 PolarHBondContact O-N 2.96Å; R391-S395 PolarHBondContact O-N 2.91Å
392	T	78	Confident	71.2	Confident	85 Å²	85	113.3 Å²	113.3	52%	0.521	60%	0.596	S	S	.	*	H	α-helix	trans	-67.9	-35.7	178.8	54.7	0	0	0	0	112.4	I388 V389 S395 A396	I388-T392 HydrophobicContact CG2-CG2 4.43Å; I388-T392 WeakPolarHBondContact O-CG2 3.41Å; I388-T392 PolarHBondContact O-N 2.75Å; I388-T392 PolarHBondContact O-OG1 2.69Å; V389-T392 WeakPolarHBondContact CA-OG1 3.48Å; V389-T392 PolarHBondContact O-OG1 3.29Å; V389-T392 VanDerWaalsContact O-OG1 3.06Å; T392-S395 PolarHBondContact O-N 2.68Å; T392-A396 PolarHBondContact O-N 2.8Å
393	R	65.7	Low	70.2	Confident	183 Å²	183	113.3 Å²	113.3	69%	0.691	60%	0.597	S	S	*	*	H	α-helix	trans	-68.9	-34.2	174.5	-73.4	-178	178.7	-170	0.5	113.7	V389 A396 K397	V389-R393 WeakPolarHBondContact O-CG 3.48Å; V389-R393 PolarHBondContact O-N 2.96Å; V389-R393 VanDerWaalsContact O-N 3.13Å; R393-A396 PolarHBondContact O-N 2.98Å; R393-K397 PolarHBondContact O-N 3.14Å
394	V	58.6	Low	69.4	Low	93 Å²	93	116.2 Å²	116.2	56%	0.564	60%	0.601	S	S	*	*	H	α-helix	trans	-69.8	-35.6	176.1	170.7	0	0	0	0	111.6	A390 R391	A390-V394 VanDerWaalsContact O-CG2 3.3Å; A390-V394 WeakPolarHBondContact O-CG2 3.47Å; A390-V394 PolarHBondContact O-N 3.1Å; A390-V394 VanDerWaalsContact O-N 3.16Å; R391-V394 PolarHBondContact O-N 2.96Å
395	S	52.8	Low	68.3	Low	77 Å²	77	117.6 Å²	117.6	54%	0.538	61%	0.608	S	S	.	*	H	α-helix	trans	-68	-36.4	173.5	-83.9	0	0	0	0	113.1	R391 T392 K397 K398	R391-S395 PolarHBondContact O-N 2.91Å; T392-S395 PolarHBondContact O-N 2.68Å; S395-K397 PolarHBondContact O-N 3.36Å; S395-K398 PolarHBondContact O-N 3.01Å
396	A	53.9	Low	67.1	Low	62 Å²	62	120.5 Å²	120.5	51%	0.512	62%	0.618	S	S	.	*	H	α-helix	trans	-65.5	-36.2	177.4	0	0	0	0	0	112.8	T392 R393 K398 L399	T392-A396 PolarHBondContact O-N 2.8Å; R393-A396 PolarHBondContact O-N 2.98Å; A396-K398 VanDerWaalsContact C-N 3.26Å; A396-K398 PolarHBondContact O-N 3.06Å; A396-L399 PolarHBondContact O-N 3.33Å
397	K	52.9	Low	65.9	Low	167 Å²	167	122.9 Å²	122.9	73%	0.726	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-7.3	176.6	-94	-171.9	174.6	-171.7	0	115.5	R393 S395	R393-K397 PolarHBondContact O-N 3.14Å; S395-K397 PolarHBondContact O-N 3.36Å
398	K	50.7	Low	64.4	Low	176 Å²	176	125.4 Å²	125.4	77%	0.765	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.2	-0.3	174.6	-80.2	-173.2	174.1	-173.8	0	113.1	S395 A396	S395-K398 PolarHBondContact O-N 3.01Å; A396-K398 VanDerWaalsContact C-N 3.26Å; A396-K398 PolarHBondContact O-N 3.06Å
399	L	50.3	Low	62.7	Low	157 Å²	157	127.6 Å²	127.6	82%	0.822	64%	0.644	S	S	*	*			trans	-115.6	2.2	-178.2	-80.9	154.6	0	0	0	113.1	A396	A396-L399 PolarHBondContact O-N 3.33Å
400	E	43	Very low	60.5	Low	228 Å²	228	133.9 Å²	133.9	100%	1.065	67%	0.671	S	S	*	*			trans	-105.7	0	160.9	-70	-179.3	162.4	0	0	108.2

Retrieved 400 of 400 residues in 179.6 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).