A0A096M584_POEFO Loading...

Zinc finger and BTB domain-containing protein 44

AlphaFold DB , UniProt , Accession A0A096M584, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 473 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	46.1	Very low	65.7	Low	186 Å²	186	85.8 Å²	85.8	92%	0.916	50%	0.498	S	S	*	.				0	153.8	0	-64.3	-178.2	-73.4	0	0	108.4	E99	M1-E99 HydrophobicContact CE-CG 4.44Å; M1-E99 WeakPolarHBondContact CE-OE1 3.42Å
2	G	60.7	Low	65.9	Low	46 Å²	46	87.7 Å²	87.7	47%	0.474	52%	0.52	S	S	.	.			trans	-90.2	119.2	-170.6	0	0	0	0	0	113.6
3	V	71.9	Confident	66.1	Low	96 Å²	96	90.8 Å²	90.8	58%	0.582	53%	0.526	S	S	*	.			trans	-77.6	136.8	158	-178.5	0	0	0	0	107.7	I96	V3-I96 WeakPolarHBondContact CA-O 3.42Å
4	K	71.4	Confident	67	Low	85 Å²	85	86.3 Å²	86.3	37%	0.37	50%	0.502	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	135	166.1	-58.7	-179.3	-162.6	168	0	109	F6 I96 F123 S126	K4-F6 HydrophobicContact CB-CE2 3.83Å; K4-F6 HydrophobicContact CB-CZ 4.23Å; K4-I96 PolarHBondContact N-O 3.39Å; K4-I96 PolarHBondContact O-N 3.44Å; K4-F123 HydrophobicContact CB-CD2 4.02Å; K4-F123 HydrophobicContact CB-CE2 3.73Å; K4-F123 HydrophobicContact CD-CD2 3.66Å; K4-F123 HydrophobicContact CD-CE2 3.63Å; K4-F123 HydrophobicContact CG-CD2 4.06Å; K4-F123 HydrophobicContact CG-CE2 3.6Å; K4-S126 PolarHBondContact NZ-OG 2.89Å
5	T	77.3	Confident	68.2	Low	88 Å²	88	83.7 Å²	83.7	54%	0.54	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.5	176.7	-53	0	0	0	0	109.1	T93 L94	T5-T93 HydrophobicContact CG2-CG2 3.43Å; T5-T93 VanDerWaalsContact CG2-CG2 3.43Å; T5-L94 WeakPolarHBondContact CA-O 3.44Å
6	F	71.7	Confident	69.3	Low	65 Å²	65	84.1 Å²	84.1	29%	0.285	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113.7	178.2	-63.6	-94.8	0	0	0	108.9	K4 T93 L94 I96 T119 F123	K4-F6 HydrophobicContact CB-CE2 3.83Å; K4-F6 HydrophobicContact CB-CZ 4.23Å; F6-T93 WeakPolarHBondContact O-CA 3.47Å; F6-L94 PolarHBondContact N-O 2.89Å; F6-L94 PolarHBondContact O-N 3.23Å; F6-I96 HydrophobicContact CD2-CD1 3.72Å; F6-I96 HydrophobicContact CD2-CG1 4.03Å; F6-I96 HydrophobicContact CE2-CB 4.38Å; F6-I96 HydrophobicContact CE2-CD1 3.69Å; F6-I96 HydrophobicContact CE2-CG1 4.15Å; F6-T119 HydrophobicContact CD1-CG2 4.45Å; F6-F123 AromaticContact CE2-CD2 3.92Å; F6-F123 HydrophobicContact CE2-CD2 3.92Å; F6-F123 HydrophobicContact CZ-CB 4.29Å; F6-F123 HydrophobicContact CZ-CD2 4.04Å
7	T	73.4	Confident	70.4	Confident	99 Å²	99	82.6 Å²	82.6	61%	0.607	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	129.8	176.8	46.5	0	0	0	0	109.9	T93	T7-T93 HydrophobicContact CG2-CG2 3.76Å
8	H	64.1	Low	71.5	Confident	76 Å²	76	79.1 Å²	79.1	35%	0.352	45%	0.447	S	S	.	.			trans	-105	94.6	169.2	-175.5	-70.9	0	0	0	109.3	S10 S92 F247	H8-S10 PolarHBondContact O-N 3.21Å; H8-S10 VanDerWaalsContact O-N 3.15Å; H8-S92 PolarHBondContact N-O 3.07Å; H8-S92 WeakPolarHBondContact O-CB 3.16Å; H8-F247 AromaticContact CE1-CE1 3.99Å
9	S	58.2	Low	72.4	Confident	105 Å²	105	79 Å²	79	73%	0.734	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-51.5	119.3	-178.2	-49.6	0	0	0	0	112
10	S	59.8	Low	73.4	Confident	24 Å²	24	80.7 Å²	80.7	17%	0.168	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-93.4	171.5	169.2	84.8	0	0	0	0	111	H8 S14 Q15	H8-S10 PolarHBondContact O-N 3.21Å; H8-S10 VanDerWaalsContact O-N 3.15Å; S10-S14 VanDerWaalsContact CB-OG 3.24Å; S10-S14 WeakPolarHBondContact CB-OG 3.24Å; S10-S14 PolarHBondContact OG-OG 3.26Å; S10-Q15 WeakPolarHBondContact OG-CA 3.37Å; S10-Q15 WeakPolarHBondContact OG-CB 3.34Å; S10-Q15 PolarHBondContact OG-N 3.14Å; S10-Q15 VanDerWaalsContact OG-N 3.16Å; S10-Q15 PolarHBondContact OG-OE1 3.49Å
11	T	68.3	Low	74.3	Confident	74 Å²	74	79.1 Å²	79.1	45%	0.454	44%	0.438	S	S	.	.	P	Polyproline II helix	trans	-64.9	147.6	169.8	68	0	0	0	0	110	H13 S14 Q15	T11-H13 PolarHBondContact O-N 2.98Å; T11-S14 PolarHBondContact N-OG 3.24Å; T11-S14 PolarHBondContact O-N 2.81Å; T11-S14 PolarHBondContact O-OG 3.06Å; T11-S14 PolarHBondContact OG1-OG 3.3Å; T11-Q15 PolarHBondContact O-N 3.33Å
12	S	67.8	Low	76.5	Confident	108 Å²	108	71.7 Å²	71.7	76%	0.755	40%	0.402	S	S	*	.	H	α-helix	trans	-50.9	-41.5	-173.8	-168	0	0	0	0	113.6	Q15 E16	S12-Q15 PolarHBondContact O-N 3.25Å; S12-E16 PolarHBondContact O-N 2.89Å; S12-E16 VanDerWaalsContact O-N 3.13Å
13	H	69.4	Low	78	Confident	129 Å²	129	71.6 Å²	71.6	60%	0.597	40%	0.398	S	S	*	.	H	α-helix	trans	-71	-33.8	179	-172.4	53.1	0	0	0	114	T11 Q15 E16	T11-H13 PolarHBondContact O-N 2.98Å; H13-Q15 VanDerWaalsContact C-N 3.34Å; H13-E16 IonicContact ND1-OE2 2.71Å
14	S	78.6	Confident	78.9	Confident	27 Å²	27	69.6 Å²	69.6	19%	0.189	38%	0.383	C	S	.	.	H	α-helix	trans	-70.8	-31.9	173.3	52.1	0	0	0	0	112	S10 T11 L18	S10-S14 VanDerWaalsContact CB-OG 3.24Å; S10-S14 WeakPolarHBondContact CB-OG 3.24Å; S10-S14 PolarHBondContact OG-OG 3.26Å; T11-S14 PolarHBondContact N-OG 3.24Å; T11-S14 PolarHBondContact O-N 2.81Å; T11-S14 PolarHBondContact O-OG 3.06Å; T11-S14 PolarHBondContact OG1-OG 3.3Å; S14-L18 PolarHBondContact O-N 3.06Å; S14-L18 VanDerWaalsContact O-N 3.14Å
15	Q	84.6	Confident	80	Confident	47 Å²	47	67.3 Å²	67.3	22%	0.22	37%	0.372	C	S	.	.	H	α-helix	trans	-69	-53	178.2	-167.7	60.7	42.8	0	0	111.3	S10 T11 S12 H13 M17 L18 D19 T91	S10-Q15 WeakPolarHBondContact OG-CA 3.37Å; S10-Q15 WeakPolarHBondContact OG-CB 3.34Å; S10-Q15 PolarHBondContact OG-N 3.14Å; S10-Q15 VanDerWaalsContact OG-N 3.16Å; S10-Q15 PolarHBondContact OG-OE1 3.49Å; T11-Q15 PolarHBondContact O-N 3.33Å; S12-Q15 PolarHBondContact O-N 3.25Å; H13-Q15 VanDerWaalsContact C-N 3.34Å; Q15-M17 PolarHBondContact O-N 3.22Å; Q15-L18 WeakPolarHBondContact O-CA 3.35Å; Q15-L18 WeakPolarHBondContact O-CB 3.41Å; Q15-L18 PolarHBondContact O-N 3.04Å; Q15-D19 PolarHBondContact NE2-OD1 3.07Å; Q15-D19 PolarHBondContact O-N 3.47Å; Q15-T91 PolarHBondContact NE2-O 3.5Å
16	E	86.4	Confident	80.7	Confident	91 Å²	91	68.2 Å²	68.2	43%	0.425	37%	0.374	S	S	.	.	H	α-helix	trans	-51.5	-33.8	179.3	-169.2	-153.7	156.4	0	0	112.4	S12 H13 K20	S12-E16 PolarHBondContact O-N 2.89Å; S12-E16 VanDerWaalsContact O-N 3.13Å; H13-E16 IonicContact ND1-OE2 2.71Å; E16-K20 VanDerWaalsContact O-CG 3.3Å; E16-K20 WeakPolarHBondContact O-CG 3.43Å; E16-K20 PolarHBondContact O-N 3.25Å; E16-K20 WeakPolarHBondContact OE1-CE 3.45Å; E16-K20 IonicContact OE1-NZ 3.21Å; E16-K20 PolarHBondContact OE1-NZ 3.38Å
17	M	86.9	Confident	81.5	Confident	58 Å²	58	71.2 Å²	71.2	29%	0.286	39%	0.389	S	S	.	.	H	α-helix	trans	-80.4	-37.5	176.6	-166.3	177.8	-56.2	0	0	113.6	Q15 D19 K20 L21 W243	Q15-M17 PolarHBondContact O-N 3.22Å; M17-D19 VanDerWaalsContact C-N 3.25Å; M17-D19 PolarHBondContact O-N 3.12Å; M17-K20 PolarHBondContact O-N 2.87Å; M17-L21 HydrophobicContact CG-CD1 4.27Å; M17-L21 WeakPolarHBondContact O-CG 3.32Å; M17-L21 PolarHBondContact O-N 3.2Å; M17-W243 HydrophobicContact CE-CH2 3.48Å; M17-W243 VanDerWaalsContact CE-CH2 3.48Å; M17-W243 HydrophobicContact CE-CZ2 4.36Å; M17-W243 HydrophobicContact CE-CZ3 3.83Å; M17-W243 HydrophobicContact SD-CH2 3.29Å; M17-W243 WeakPolarHBondContact SD-CH2 3.39Å; M17-W243 HydrophobicContact SD-CZ3 3.42Å; M17-W243 WeakPolarHBondContact SD-CZ3 3.44Å
18	L	90.1	Very high	82.1	Confident	19 Å²	19	67.9 Å²	67.9	10%	0.099	37%	0.374	C	S	.	.	H	α-helix	trans	-61.7	-40.1	174.6	-145.9	73.4	0	0	0	110.3	S14 Q15 K20 L21 N22 Y90 S92	S14-L18 PolarHBondContact O-N 3.06Å; S14-L18 VanDerWaalsContact O-N 3.14Å; Q15-L18 WeakPolarHBondContact O-CA 3.35Å; Q15-L18 WeakPolarHBondContact O-CB 3.41Å; Q15-L18 PolarHBondContact O-N 3.04Å; L18-K20 PolarHBondContact O-N 3.08Å; L18-L21 PolarHBondContact O-N 3.2Å; L18-N22 WeakPolarHBondContact O-CB 3.25Å; L18-N22 PolarHBondContact O-N 2.85Å; L18-Y90 VanDerWaalsContact CD2-C 3.46Å; L18-Y90 WeakPolarHBondContact CD2-O 3.39Å; L18-Y90 WeakPolarHBondContact CG-O 3.22Å; L18-S92 WeakPolarHBondContact CD2-OG 3.44Å
19	D	89.6	Confident	83.2	Confident	78 Å²	78	69.5 Å²	69.5	42%	0.417	38%	0.382	S	S	.	.	H	α-helix	trans	-63.4	-39.8	175.2	-54.6	-27.4	0	0	0	111.8	Q15 M17 N22 A23	Q15-D19 PolarHBondContact NE2-OD1 3.07Å; Q15-D19 PolarHBondContact O-N 3.47Å; M17-D19 VanDerWaalsContact C-N 3.25Å; M17-D19 PolarHBondContact O-N 3.12Å; D19-N22 WeakPolarHBondContact O-CB 3.36Å; D19-N22 PolarHBondContact O-N 3.28Å; D19-A23 PolarHBondContact O-N 2.98Å
20	K	91.3	Very high	84.5	Confident	113 Å²	113	71.1 Å²	71.1	49%	0.491	38%	0.382	S	S	.	.	H	α-helix	trans	-66.7	-41.3	172.9	-72.3	168.2	-169.5	174.1	0	112.8	E16 M17 L18 N22 A23 L24	E16-K20 VanDerWaalsContact O-CG 3.3Å; E16-K20 WeakPolarHBondContact O-CG 3.43Å; E16-K20 PolarHBondContact O-N 3.25Å; E16-K20 WeakPolarHBondContact OE1-CE 3.45Å; E16-K20 IonicContact OE1-NZ 3.21Å; E16-K20 PolarHBondContact OE1-NZ 3.38Å; M17-K20 PolarHBondContact O-N 2.87Å; L18-K20 PolarHBondContact O-N 3.08Å; K20-N22 VanDerWaalsContact C-N 3.27Å; K20-N22 PolarHBondContact O-N 3.16Å; K20-A23 PolarHBondContact O-N 3.35Å; K20-L24 WeakPolarHBondContact O-CG 3.4Å; K20-L24 PolarHBondContact O-N 2.98Å
21	L	92	Very high	86	Confident	47 Å²	47	71.1 Å²	71.1	25%	0.246	38%	0.381	C	S	.	.	H	α-helix	trans	-65.8	-32.6	175.2	-72.2	166.7	0	0	0	111.6	M17 L18 R25 H45 V48 Y90	M17-L21 HydrophobicContact CG-CD1 4.27Å; M17-L21 WeakPolarHBondContact O-CG 3.32Å; M17-L21 PolarHBondContact O-N 3.2Å; L18-L21 PolarHBondContact O-N 3.2Å; L21-R25 VanDerWaalsContact O-CB 3.29Å; L21-R25 WeakPolarHBondContact O-CB 3.34Å; L21-R25 PolarHBondContact O-N 3.4Å; L21-H45 PolarHBondContact O-CE1 3.44Å; L21-V48 HydrophobicContact CD1-CG2 3.93Å; L21-Y90 HydrophobicContact CB-CD1 4.22Å; L21-Y90 HydrophobicContact CB-CE1 4.11Å; L21-Y90 WeakPolarHBondContact O-CE1 3.45Å
22	N	92.8	Very high	86.9	Confident	30 Å²	30	70.2 Å²	70.2	16%	0.16	37%	0.374	C	S	.	.	H	α-helix	trans	-65.9	-46.1	173.2	-171.2	12.9	0	0	0	111.1	L18 D19 K20 R25 N26 Y90	L18-N22 WeakPolarHBondContact O-CB 3.25Å; L18-N22 PolarHBondContact O-N 2.85Å; D19-N22 WeakPolarHBondContact O-CB 3.36Å; D19-N22 PolarHBondContact O-N 3.28Å; K20-N22 VanDerWaalsContact C-N 3.27Å; K20-N22 PolarHBondContact O-N 3.16Å; N22-R25 PolarHBondContact O-N 3.3Å; N22-R25 PolarHBondContact OD1-NH2 3.14Å; N22-N26 PolarHBondContact O-N 3.03Å; N22-N26 PolarHBondContact O-ND2 3.21Å; N22-N26 PolarHBondContact O-OD1 3.37Å; N22-N26 PolarHBondContact OD1-ND2 2.87Å; N22-N26 VanDerWaalsContact OD1-ND2 3.14Å; N22-Y90 HydrophobicContact CB-CD1 4.18Å
23	A	92.1	Very high	88	Confident	45 Å²	45	65 Å²	65	37%	0.372	34%	0.338	S	S	.	.	H	α-helix	trans	-57	-54.2	173.7	0	0	0	0	0	111.9	D19 K20 R25 N26 E27	D19-A23 PolarHBondContact O-N 2.98Å; K20-A23 PolarHBondContact O-N 3.35Å; A23-R25 VanDerWaalsContact C-N 3.28Å; A23-R25 PolarHBondContact O-N 3.19Å; A23-N26 PolarHBondContact O-N 3.25Å; A23-E27 WeakPolarHBondContact O-CG 3.42Å; A23-E27 PolarHBondContact O-N 2.83Å
24	L	92.3	Very high	89.2	Confident	54 Å²	54	59 Å²	59	28%	0.283	31%	0.31	S	S	.	.	H	α-helix	trans	-56.7	-40.1	178.2	-70.7	167.6	0	0	0	112.7	K20 E27 G28 H29 H45	K20-L24 WeakPolarHBondContact O-CG 3.4Å; K20-L24 PolarHBondContact O-N 2.98Å; L24-E27 PolarHBondContact O-N 2.78Å; L24-G28 PolarHBondContact O-N 3.25Å; L24-H29 HydrophobicContact CD2-CB 3.97Å; L24-H29 PolarHBondContact O-N 3.29Å; L24-H45 VanDerWaalsContact C-CE1 3.49Å
25	R	93.6	Very high	89.9	Confident	37 Å²	37	57.8 Å²	57.8	14%	0.14	30%	0.301	C	S	.	.	H	α-helix	trans	-62.1	-42.5	175.4	-175.3	-160.2	68.5	-172.9	2.3	111.9	L21 N22 A23 E27 G28 L43 H45 L86 Y90	L21-R25 VanDerWaalsContact O-CB 3.29Å; L21-R25 WeakPolarHBondContact O-CB 3.34Å; L21-R25 PolarHBondContact O-N 3.4Å; N22-R25 PolarHBondContact O-N 3.3Å; N22-R25 PolarHBondContact OD1-NH2 3.14Å; A23-R25 VanDerWaalsContact C-N 3.28Å; A23-R25 PolarHBondContact O-N 3.19Å; R25-E27 VanDerWaalsContact C-N 3.31Å; R25-G28 PolarHBondContact O-N 3.41Å; R25-G28 VanDerWaalsContact O-N 3.08Å; R25-L43 VanDerWaalsContact CG-O 3.25Å; R25-L43 WeakPolarHBondContact CG-O 3.47Å; R25-H45 WeakPolarHBondContact CA-CE1 3.39Å; R25-H45 WeakPolarHBondContact CB-CE1 3.25Å; R25-H45 PolarHBondContact N-CE1 3.01Å; R25-L86 PolarHBondContact NH1-O 3.01Å; R25-L86 VanDerWaalsContact NH1-O 3.08Å; R25-Y90 HydrophobicContact CB-CD1 4.44Å; R25-Y90 HydrophobicContact CB-CE1 3.92Å; R25-Y90 HydrophobicContact CG-CE1 4.26Å; R25-Y90 VanDerWaalsContact NH1-CD2 3.25Å; R25-Y90 VanDerWaalsContact NH1-CG 3.35Å
26	N	91.3	Very high	90.4	Very high	107 Å²	107	60.9 Å²	60.9	57%	0.572	31%	0.311	S	S	*	.	H	α-helix	trans	-72.8	-27.1	-178.5	-57.9	-24.3	0	0	0	111.9	N22 A23 G28	N22-N26 PolarHBondContact O-N 3.03Å; N22-N26 PolarHBondContact O-ND2 3.21Å; N22-N26 PolarHBondContact O-OD1 3.37Å; N22-N26 PolarHBondContact OD1-ND2 2.87Å; N22-N26 VanDerWaalsContact OD1-ND2 3.14Å; A23-N26 PolarHBondContact O-N 3.25Å; N26-G28 VanDerWaalsContact C-N 3.3Å
27	E	89.9	Confident	90.8	Very high	127 Å²	127	56.6 Å²	56.6	59%	0.593	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-11	168.6	-65.3	167.5	167	0	0	113	A23 L24 R25 H29	A23-E27 WeakPolarHBondContact O-CG 3.42Å; A23-E27 PolarHBondContact O-N 2.83Å; L24-E27 PolarHBondContact O-N 2.78Å; R25-E27 VanDerWaalsContact C-N 3.31Å; E27-H29 VanDerWaalsContact C-N 3.26Å; E27-H29 PolarHBondContact O-N 2.78Å; E27-H29 IonicContact OE2-CD2 2.89Å
28	G	85.5	Confident	91	Very high	30 Å²	30	58.5 Å²	58.5	31%	0.309	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	5.5	-175.4	0	0	0	0	0	114.7	L24 R25 N26	L24-G28 PolarHBondContact O-N 3.25Å; R25-G28 PolarHBondContact O-N 3.41Å; R25-G28 VanDerWaalsContact O-N 3.08Å; N26-G28 VanDerWaalsContact C-N 3.3Å
29	H	87.8	Confident	90.9	Very high	109 Å²	109	65.4 Å²	65.4	51%	0.505	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	142.5	-178.7	-72.2	-43.7	0	0	0	112.9	L24 E27 C31 H45	L24-H29 HydrophobicContact CD2-CB 3.97Å; L24-H29 PolarHBondContact O-N 3.29Å; E27-H29 VanDerWaalsContact C-N 3.26Å; E27-H29 PolarHBondContact O-N 2.78Å; E27-H29 IonicContact OE2-CD2 2.89Å; H29-C31 PolarHBondContact O-N 2.98Å; H29-C31 PolarHBondContact O-SG 3.2Å; H29-C31 VanDerWaalsContact O-SG 3.4Å; H29-H45 VanDerWaalsContact C-NE2 3.31Å; H29-H45 PolarHBondContact O-NE2 3.44Å
30	L	85.2	Confident	91.2	Very high	140 Å²	140	67.2 Å²	67.2	73%	0.733	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	12	177.6	-55.5	176.9	0	0	0	115.7	D32 H45	L30-D32 PolarHBondContact O-N 2.78Å; L30-H45 WeakPolarHBondContact CA-NE2 3.45Å; L30-H45 WeakPolarHBondContact CB-NE2 3.45Å; L30-H45 PolarHBondContact O-CD2 2.78Å; L30-H45 PolarHBondContact O-NE2 3.37Å
31	C	89.9	Confident	91.3	Very high	24 Å²	24	67.2 Å²	67.2	16%	0.162	35%	0.345	C	S	.	.			trans	-75.2	94.9	-177.9	-68.6	0	0	0	0	111.5	H29 V33 L43 A44 H45	H29-C31 PolarHBondContact O-N 2.98Å; H29-C31 PolarHBondContact O-SG 3.2Å; H29-C31 VanDerWaalsContact O-SG 3.4Å; C31-V33 VanDerWaalsContact C-N 3.28Å; C31-V33 PolarHBondContact O-N 3.48Å; C31-L43 HydrophobicContact CB-CB 3.88Å; C31-A44 CarbonylContact C-O 3.48Å; C31-A44 VanDerWaalsContact CA-O 3.29Å; C31-A44 WeakPolarHBondContact CA-O 3.39Å; C31-A44 WeakPolarHBondContact CB-O 3.24Å; C31-H45 PolarHBondContact N-NE2 2.87Å
32	D	88.6	Confident	91.4	Very high	54 Å²	54	66.8 Å²	66.8	29%	0.289	34%	0.341	S	S	.	.			trans	-82.3	1.6	-177.3	64.6	-23.2	0	0	0	114.2	L30 A44 H45 K46	L30-D32 PolarHBondContact O-N 2.78Å; D32-A44 PolarHBondContact N-O 3.43Å; D32-H45 VanDerWaalsContact OD1-CA 3.24Å; D32-H45 WeakPolarHBondContact OD1-CA 3.12Å; D32-K46 HydrophobicContact CB-CD 4.49Å; D32-K46 WeakPolarHBondContact O-CE 3.38Å; D32-K46 PolarHBondContact OD1-N 3.23Å; D32-K46 WeakPolarHBondContact OD2-CB 3.3Å; D32-K46 WeakPolarHBondContact OD2-CD 3.43Å; D32-K46 VanDerWaalsContact OD2-CE 3.26Å; D32-K46 WeakPolarHBondContact OD2-CE 3.27Å; D32-K46 WeakPolarHBondContact OD2-CG 3.49Å; D32-K46 IonicContact OD2-NZ 2.82Å; D32-K46 PolarHBondContact OD2-NZ 2.94Å
33	V	91.3	Very high	91.4	Very high	0 Å²	0	68.4 Å²	68.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	139.1	171.9	50.4	0	0	0	0	112.1	C31 I35 A44 K46 L49 L60 F70 L72	C31-V33 VanDerWaalsContact C-N 3.28Å; C31-V33 PolarHBondContact O-N 3.48Å; V33-I35 HydrophobicContact CG2-CG1 4.25Å; V33-A44 HydrophobicContact CG1-CB 4.25Å; V33-A44 WeakPolarHBondContact CG1-O 3.25Å; V33-A44 PolarHBondContact N-O 3.4Å; V33-A44 PolarHBondContact O-N 3.41Å; V33-A44 VanDerWaalsContact O-O 3.11Å; V33-K46 HydrophobicContact CB-CG 4.03Å; V33-K46 HydrophobicContact CG1-CB 4.45Å; V33-K46 HydrophobicContact CG1-CG 3.83Å; V33-L49 HydrophobicContact CG1-CD1 3.71Å; V33-L60 HydrophobicContact CG2-CD2 3.99Å; V33-F70 WeakPolarHBondContact CA-O 3.43Å; V33-F70 HydrophobicContact CB-CD1 4.44Å; V33-F70 HydrophobicContact CG2-CD1 3.91Å; V33-L72 HydrophobicContact CG2-CB 4.5Å
34	T	92.8	Very high	91.5	Very high	3 Å²	3	66.2 Å²	66.2	2%	0.018	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	125.6	167.2	-55.6	0	0	0	0	109.2	L41 F42 L43 K69 F70 V71 L72	T34-L41 HydrophobicContact CG2-CB 3.98Å; T34-L41 HydrophobicContact CG2-CD1 4.48Å; T34-L41 HydrophobicContact CG2-CD2 4.15Å; T34-L41 HydrophobicContact CG2-CG 4.43Å; T34-F42 CarbonylContact C-O 3.5Å; T34-F42 WeakPolarHBondContact CA-O 3.44Å; T34-L43 HydrophobicContact CG2-CD2 4.36Å; T34-L43 WeakPolarHBondContact OG1-CD2 3.48Å; T34-K69 WeakPolarHBondContact OG1-CE 3.44Å; T34-F70 PolarHBondContact N-O 2.89Å; T34-V71 CarbonylContact O-C 3.6Å; T34-V71 VanDerWaalsContact O-CA 3.29Å; T34-V71 WeakPolarHBondContact O-CA 3.32Å; T34-L72 PolarHBondContact O-N 3.46Å
35	I	94.1	Very high	91.5	Very high	0 Å²	0	64.3 Å²	64.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.8	172.8	-59.2	172.7	0	0	0	108.4	V33 V37 L41 F42 L49 F56 L72 L74 F82	V33-I35 HydrophobicContact CG2-CG1 4.25Å; I35-V37 HydrophobicContact CG2-CG2 3.67Å; I35-L41 CarbonylContact O-C 3.6Å; I35-L41 WeakPolarHBondContact O-CA 3.29Å; I35-F42 PolarHBondContact N-O 3.3Å; I35-F42 PolarHBondContact O-N 2.88Å; I35-L49 HydrophobicContact CD1-CD1 3.68Å; I35-L49 HydrophobicContact CD1-CD2 4.14Å; I35-L49 HydrophobicContact CG1-CD1 4.47Å; I35-F56 HydrophobicContact CD1-CE1 3.69Å; I35-F56 HydrophobicContact CD1-CZ 3.68Å; I35-L72 CarbonylContact C-O 3.48Å; I35-L72 WeakPolarHBondContact CA-O 3.25Å; I35-L72 HydrophobicContact CG1-CB 4.41Å; I35-L74 HydrophobicContact CG2-CD1 3.67Å; I35-L74 HydrophobicContact CG2-CG 3.87Å; I35-F82 HydrophobicContact CB-CZ 4.23Å; I35-F82 HydrophobicContact CD1-CE2 4.18Å; I35-F82 HydrophobicContact CD1-CZ 3.62Å; I35-F82 HydrophobicContact CG2-CE1 4.21Å; I35-F82 HydrophobicContact CG2-CE2 4.41Å; I35-F82 HydrophobicContact CG2-CZ 3.93Å
36	R	94.6	Very high	91.4	Very high	113 Å²	113	63.9 Å²	63.9	43%	0.426	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	121.3	171.8	178.6	163.6	53.5	174.6	-0.1	109.2	Q38 K40 L41 V71 L72 D73 L74	R36-Q38 WeakPolarHBondContact CG-O 3.44Å; R36-K40 WeakPolarHBondContact CA-O 3.44Å; R36-L41 HydrophobicContact CB-CD2 3.68Å; R36-L41 HydrophobicContact CG-CD2 3.86Å; R36-V71 HydrophobicContact CB-CG1 4.35Å; R36-L72 PolarHBondContact N-O 3.42Å; R36-D73 WeakPolarHBondContact CB-OD1 3.32Å; R36-D73 IonicContact CZ-OD1 3.97Å; R36-D73 IonicContact CZ-OD2 2.95Å; R36-D73 IonicContact NE-OD1 2.6Å; R36-D73 PolarHBondContact NE-OD1 2.83Å; R36-D73 IonicContact NE-OD2 2.72Å; R36-D73 IonicContact NH2-OD1 3.8Å; R36-D73 PolarHBondContact NH2-OD1 3.29Å; R36-D73 IonicContact NH2-OD2 3.45Å; R36-D73 PolarHBondContact NH2-OD2 3.46Å; R36-L74 PolarHBondContact O-N 3.39Å
37	V	95.8	Very high	91.3	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	110.7	177.6	-169.4	0	0	0	0	107.6	I35 D39 K40 F42 L74 V77 I79 F82	I35-V37 HydrophobicContact CG2-CG2 3.67Å; V37-D39 PolarHBondContact O-N 2.86Å; V37-K40 PolarHBondContact N-O 3.24Å; V37-K40 PolarHBondContact O-N 3.45Å; V37-K40 VanDerWaalsContact O-N 3.09Å; V37-F42 HydrophobicContact CB-CE2 4.11Å; V37-F42 HydrophobicContact CG2-CD2 4.18Å; V37-F42 HydrophobicContact CG2-CE2 4.18Å; V37-L74 HydrophobicContact CG2-CB 4.14Å; V37-L74 HydrophobicContact CG2-CD1 4.04Å; V37-L74 HydrophobicContact CG2-CG 4.38Å; V37-V77 HydrophobicContact CG1-CB 4.2Å; V37-V77 HydrophobicContact CG1-CG1 4.39Å; V37-V77 WeakPolarHBondContact CG1-O 3.47Å; V37-I79 WeakPolarHBondContact O-CG1 3.5Å; V37-F82 HydrophobicContact CB-CD1 4.33Å; V37-F82 HydrophobicContact CG1-CB 4.07Å; V37-F82 HydrophobicContact CG2-CB 4.2Å; V37-F82 HydrophobicContact CG2-CD1 3.48Å; V37-F82 VanDerWaalsContact CG2-CD1 3.48Å; V37-F82 HydrophobicContact CG2-CD2 4.36Å; V37-F82 HydrophobicContact CG2-CE1 3.91Å; V37-F82 HydrophobicContact CG2-CG 3.73Å
38	Q	90.6	Very high	91.4	Very high	99 Å²	99	58 Å²	58	46%	0.463	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	-132.5	-165.6	-55.9	170.2	-55.2	0	0	108.5	R36 K40 I79	R36-Q38 WeakPolarHBondContact CG-O 3.44Å; Q38-K40 VanDerWaalsContact C-N 3.32Å; Q38-K40 PolarHBondContact O-N 3.43Å; Q38-I79 HydrophobicContact CB-CD1 4.04Å; Q38-I79 HydrophobicContact CB-CG1 4.37Å
39	D	89.1	Confident	91.7	Very high	163 Å²	163	56.7 Å²	56.7	87%	0.872	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	5.9	-179.5	-50.7	-69	0	0	0	114.5	V37	V37-D39 PolarHBondContact O-N 2.86Å
40	K	94.1	Very high	91.9	Very high	117 Å²	117	52.2 Å²	52.2	51%	0.509	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	139.9	179	-71.9	-168.6	-173.5	-179.1	0	112.9	R36 V37 Q38 F42 I79	R36-K40 WeakPolarHBondContact CA-O 3.44Å; V37-K40 PolarHBondContact N-O 3.24Å; V37-K40 PolarHBondContact O-N 3.45Å; V37-K40 VanDerWaalsContact O-N 3.09Å; Q38-K40 VanDerWaalsContact C-N 3.32Å; Q38-K40 PolarHBondContact O-N 3.43Å; K40-F42 HydrophobicContact CB-CD2 4.46Å; K40-F42 HydrophobicContact CB-CE2 3.73Å; K40-F42 HydrophobicContact CB-CZ 4.21Å; K40-F42 HydrophobicContact CD-CZ 4.49Å; K40-I79 HydrophobicContact CB-CD1 3.99Å; K40-I79 HydrophobicContact CB-CG1 4.16Å; K40-I79 HydrophobicContact CD-CD1 3.72Å; K40-I79 HydrophobicContact CD-CG1 4.12Å; K40-I79 HydrophobicContact CD-CG2 3.94Å; K40-I79 HydrophobicContact CG-CD1 3.64Å; K40-I79 HydrophobicContact CG-CG1 4.25Å
41	L	93.6	Very high	92	Very high	113 Å²	113	48.4 Å²	48.4	59%	0.592	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	137.8	172.2	-57.2	-178.4	0	0	0	110	T34 I35 R36	T34-L41 HydrophobicContact CG2-CB 3.98Å; T34-L41 HydrophobicContact CG2-CD1 4.48Å; T34-L41 HydrophobicContact CG2-CD2 4.15Å; T34-L41 HydrophobicContact CG2-CG 4.43Å; I35-L41 CarbonylContact O-C 3.6Å; I35-L41 WeakPolarHBondContact O-CA 3.29Å; R36-L41 HydrophobicContact CB-CD2 3.68Å; R36-L41 HydrophobicContact CG-CD2 3.86Å
42	F	94.6	Very high	92	Very high	38 Å²	38	49.2 Å²	49.2	17%	0.167	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	127.8	177.2	-63.3	-96	0	0	0	109.3	T34 I35 V37 K40 I79 F82 A83 L86	T34-F42 CarbonylContact C-O 3.5Å; T34-F42 WeakPolarHBondContact CA-O 3.44Å; I35-F42 PolarHBondContact N-O 3.3Å; I35-F42 PolarHBondContact O-N 2.88Å; V37-F42 HydrophobicContact CB-CE2 4.11Å; V37-F42 HydrophobicContact CG2-CD2 4.18Å; V37-F42 HydrophobicContact CG2-CE2 4.18Å; K40-F42 HydrophobicContact CB-CD2 4.46Å; K40-F42 HydrophobicContact CB-CE2 3.73Å; K40-F42 HydrophobicContact CB-CZ 4.21Å; K40-F42 HydrophobicContact CD-CZ 4.49Å; F42-I79 HydrophobicContact CZ-CG2 4.43Å; F42-F82 HydrophobicContact CB-CE1 3.98Å; F42-F82 HydrophobicContact CD1-CD1 4.42Å; F42-F82 HydrophobicContact CD1-CE1 4.08Å; F42-F82 AromaticContact CD2-CD1 3.85Å; F42-F82 HydrophobicContact CD2-CD1 3.85Å; F42-F82 AromaticContact CD2-CE1 3.66Å; F42-F82 HydrophobicContact CD2-CE1 3.66Å; F42-F82 HydrophobicContact CE1-CD1 4.36Å; F42-F82 HydrophobicContact CE1-CE1 4.47Å; F42-F82 AromaticContact CE2-CD1 3.8Å; F42-F82 HydrophobicContact CE2-CD1 3.8Å; F42-F82 HydrophobicContact CE2-CE1 4.1Å; F42-F82 HydrophobicContact CG-CD1 4.17Å; F42-F82 AromaticContact CG-CE1 3.64Å; F42-F82 HydrophobicContact CG-CE1 3.64Å; F42-F82 HydrophobicContact CZ-CD1 4.06Å; F42-F82 HydrophobicContact CZ-CE1 4.47Å; F42-A83 HydrophobicContact CE1-CB 4.18Å; F42-A83 HydrophobicContact CZ-CB 4.4Å; F42-L86 HydrophobicContact CB-CD2 3.72Å; F42-L86 HydrophobicContact CD1-CD2 3.75Å; F42-L86 HydrophobicContact CG-CD2 4.03Å
43	L	93.2	Very high	92.1	Very high	63 Å²	63	47 Å²	47	33%	0.33	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	140.4	174	-62.4	180	0	0	0	110.2	R25 C31 T34	R25-L43 VanDerWaalsContact CG-O 3.25Å; R25-L43 WeakPolarHBondContact CG-O 3.47Å; C31-L43 HydrophobicContact CB-CB 3.88Å; T34-L43 HydrophobicContact CG2-CD2 4.36Å; T34-L43 WeakPolarHBondContact OG1-CD2 3.48Å
44	A	93.6	Very high	92	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	172.8	-179.8	0	0	0	0	0	112	C31 D32 V33 L49 L86	C31-A44 CarbonylContact C-O 3.48Å; C31-A44 VanDerWaalsContact CA-O 3.29Å; C31-A44 WeakPolarHBondContact CA-O 3.39Å; C31-A44 WeakPolarHBondContact CB-O 3.24Å; D32-A44 PolarHBondContact N-O 3.43Å; V33-A44 HydrophobicContact CG1-CB 4.25Å; V33-A44 WeakPolarHBondContact CG1-O 3.25Å; V33-A44 PolarHBondContact N-O 3.4Å; V33-A44 PolarHBondContact O-N 3.41Å; V33-A44 VanDerWaalsContact O-O 3.11Å; A44-L49 HydrophobicContact CB-CD1 3.69Å; A44-L49 HydrophobicContact CB-CD2 4.29Å; A44-L49 HydrophobicContact CB-CG 4.13Å; A44-L86 HydrophobicContact CB-CD1 4.18Å
45	H	91.9	Very high	92	Very high	13 Å²	13	51.2 Å²	51.2	6%	0.06	26%	0.262	C	S	.	.			trans	-105.2	126.9	176.6	-55.1	101.1	0	0	0	109.8	L21 L24 R25 H29 L30 C31 D32 V47 V48 L49 Y90	L21-H45 PolarHBondContact O-CE1 3.44Å; L24-H45 VanDerWaalsContact C-CE1 3.49Å; R25-H45 WeakPolarHBondContact CA-CE1 3.39Å; R25-H45 WeakPolarHBondContact CB-CE1 3.25Å; R25-H45 PolarHBondContact N-CE1 3.01Å; H29-H45 VanDerWaalsContact C-NE2 3.31Å; H29-H45 PolarHBondContact O-NE2 3.44Å; L30-H45 WeakPolarHBondContact CA-NE2 3.45Å; L30-H45 WeakPolarHBondContact CB-NE2 3.45Å; L30-H45 PolarHBondContact O-CD2 2.78Å; L30-H45 PolarHBondContact O-NE2 3.37Å; C31-H45 PolarHBondContact N-NE2 2.87Å; D32-H45 VanDerWaalsContact OD1-CA 3.24Å; D32-H45 WeakPolarHBondContact OD1-CA 3.12Å; H45-V47 PolarHBondContact O-N 2.84Å; H45-V47 VanDerWaalsContact O-N 3.14Å; H45-V48 HydrophobicContact CB-CB 4.48Å; H45-V48 HydrophobicContact CB-CG2 4.1Å; H45-V48 PolarHBondContact O-N 2.86Å; H45-V48 VanDerWaalsContact O-N 3.17Å; H45-L49 WeakPolarHBondContact O-CG 3.47Å; H45-L49 PolarHBondContact O-N 3.13Å; H45-Y90 WeakPolarHBondContact CB-OH 3.22Å; H45-Y90 PolarHBondContact N-OH 3.32Å; H45-Y90 AromaticContact ND1-CE1 3.48Å; H45-Y90 WeakPolarHBondContact ND1-CE1 3.08Å; H45-Y90 AromaticContact ND1-CZ 3.6Å; H45-Y90 PolarHBondContact ND1-OH 3.01Å
46	K	91.2	Very high	91.9	Very high	28 Å²	28	51.5 Å²	51.5	12%	0.122	26%	0.264	C	S	.	.	H	α-helix	trans	-52.5	-39.5	178.8	-68	172.9	-153	149.2	0	111.3	D32 V33 A50 L60 E65	D32-K46 HydrophobicContact CB-CD 4.49Å; D32-K46 WeakPolarHBondContact O-CE 3.38Å; D32-K46 PolarHBondContact OD1-N 3.23Å; D32-K46 WeakPolarHBondContact OD2-CB 3.3Å; D32-K46 WeakPolarHBondContact OD2-CD 3.43Å; D32-K46 VanDerWaalsContact OD2-CE 3.26Å; D32-K46 WeakPolarHBondContact OD2-CE 3.27Å; D32-K46 WeakPolarHBondContact OD2-CG 3.49Å; D32-K46 IonicContact OD2-NZ 2.82Å; D32-K46 PolarHBondContact OD2-NZ 2.94Å; V33-K46 HydrophobicContact CB-CG 4.03Å; V33-K46 HydrophobicContact CG1-CB 4.45Å; V33-K46 HydrophobicContact CG1-CG 3.83Å; K46-A50 WeakPolarHBondContact O-CB 3.41Å; K46-A50 PolarHBondContact O-N 3.2Å; K46-L60 HydrophobicContact CB-CB 4.44Å; K46-L60 HydrophobicContact CB-CD1 4.42Å; K46-L60 HydrophobicContact CG-CB 4.36Å; K46-E65 IonicContact NZ-OE1 3.84Å; K46-E65 PolarHBondContact NZ-OE1 2.98Å; K46-E65 IonicContact NZ-OE2 3.57Å; K46-E65 PolarHBondContact NZ-OE2 2.85Å
47	V	89.5	Confident	91.7	Very high	104 Å²	104	51.9 Å²	51.9	63%	0.63	27%	0.265	S	S	*	.	H	α-helix	trans	-58.9	-52.2	180	178.7	0	0	0	0	111.9	H45 A50 C51	H45-V47 PolarHBondContact O-N 2.84Å; H45-V47 VanDerWaalsContact O-N 3.14Å; V47-A50 PolarHBondContact O-N 2.77Å; V47-C51 PolarHBondContact O-N 3.47Å; V47-C51 PolarHBondContact O-SG 3.18Å; V47-C51 VanDerWaalsContact O-SG 3.41Å
48	V	92	Very high	91.4	Very high	8 Å²	8	54.9 Å²	54.9	5%	0.048	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-47.8	-177.4	179	0	0	0	0	110.1	L21 H45 A50 C51 C52 A89 Y90	L21-V48 HydrophobicContact CD1-CG2 3.93Å; H45-V48 HydrophobicContact CB-CB 4.48Å; H45-V48 HydrophobicContact CB-CG2 4.1Å; H45-V48 PolarHBondContact O-N 2.86Å; H45-V48 VanDerWaalsContact O-N 3.17Å; V48-A50 PolarHBondContact O-N 2.8Å; V48-C51 WeakPolarHBondContact O-CB 3.48Å; V48-C51 PolarHBondContact O-N 2.85Å; V48-C51 VanDerWaalsContact O-N 3.13Å; V48-C52 PolarHBondContact O-N 3.16Å; V48-C52 PolarHBondContact O-SG 3.07Å; V48-A89 HydrophobicContact CG1-CB 4.32Å; V48-A89 VanDerWaalsContact CG1-O 3.25Å; V48-A89 WeakPolarHBondContact CG1-O 3.43Å; V48-Y90 HydrophobicContact CB-CE1 4.38Å; V48-Y90 HydrophobicContact CB-CE2 4.13Å; V48-Y90 HydrophobicContact CG1-CD1 4.43Å; V48-Y90 HydrophobicContact CG1-CD2 3.9Å; V48-Y90 HydrophobicContact CG1-CE1 4.24Å; V48-Y90 HydrophobicContact CG1-CE2 3.66Å; V48-Y90 HydrophobicContact CG1-CG 4.31Å; V48-Y90 HydrophobicContact CG2-CE1 4.03Å
49	L	92.6	Very high	91.2	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-42.8	179.4	-61.8	172.4	0	0	0	112.5	V33 I35 A44 H45 C51 C52 S53 F56 L60 L86	V33-L49 HydrophobicContact CG1-CD1 3.71Å; I35-L49 HydrophobicContact CD1-CD1 3.68Å; I35-L49 HydrophobicContact CD1-CD2 4.14Å; I35-L49 HydrophobicContact CG1-CD1 4.47Å; A44-L49 HydrophobicContact CB-CD1 3.69Å; A44-L49 HydrophobicContact CB-CD2 4.29Å; A44-L49 HydrophobicContact CB-CG 4.13Å; H45-L49 WeakPolarHBondContact O-CG 3.47Å; H45-L49 PolarHBondContact O-N 3.13Å; L49-C51 VanDerWaalsContact C-N 3.3Å; L49-C51 PolarHBondContact O-N 2.97Å; L49-C52 PolarHBondContact O-N 2.82Å; L49-S53 PolarHBondContact O-N 3.03Å; L49-F56 HydrophobicContact CB-CB 4.01Å; L49-F56 HydrophobicContact CB-CD1 4.33Å; L49-F56 HydrophobicContact CB-CD2 3.78Å; L49-F56 HydrophobicContact CB-CE2 4.25Å; L49-F56 HydrophobicContact CB-CG 3.82Å; L49-F56 HydrophobicContact CD1-CE1 4.48Å; L49-F56 HydrophobicContact CD2-CD2 4.08Å; L49-F56 HydrophobicContact CD2-CE2 3.67Å; L49-F56 HydrophobicContact CD2-CZ 3.93Å; L49-F56 HydrophobicContact CG-CD2 4.46Å; L49-F56 HydrophobicContact CG-CE2 4.45Å; L49-F56 WeakPolarHBondContact O-CB 3.45Å; L49-L60 HydrophobicContact CB-CD1 3.79Å; L49-L60 HydrophobicContact CD1-CD1 3.82Å; L49-L86 HydrophobicContact CD2-CD1 3.94Å
50	A	91.3	Very high	91.1	Very high	16 Å²	16	48.1 Å²	48.1	13%	0.132	25%	0.248	C	C	.	.	H	α-helix	trans	-69.9	-23.2	177.2	0	0	0	0	0	113.5	K46 V47 V48 R57 V61	K46-A50 WeakPolarHBondContact O-CB 3.41Å; K46-A50 PolarHBondContact O-N 3.2Å; V47-A50 PolarHBondContact O-N 2.77Å; V48-A50 PolarHBondContact O-N 2.8Å; A50-R57 HydrophobicContact CB-CB 3.98Å; A50-R57 HydrophobicContact CB-CG 4.15Å; A50-V61 HydrophobicContact CB-CG2 4.19Å
51	C	88.6	Confident	90.3	Very high	59 Å²	59	47.2 Å²	47.2	40%	0.399	25%	0.252	S	S	.	.	H	α-helix	trans	-76.6	-35.2	168.8	-75.6	0	0	0	0	112.3	V47 V48 L49 F245	V47-C51 PolarHBondContact O-N 3.47Å; V47-C51 PolarHBondContact O-SG 3.18Å; V47-C51 VanDerWaalsContact O-SG 3.41Å; V48-C51 WeakPolarHBondContact O-CB 3.48Å; V48-C51 PolarHBondContact O-N 2.85Å; V48-C51 VanDerWaalsContact O-N 3.13Å; L49-C51 VanDerWaalsContact C-N 3.3Å; L49-C51 PolarHBondContact O-N 2.97Å; C51-F245 HydrophobicContact CB-CE1 4.29Å; C51-F245 HydrophobicContact CB-CZ 4.3Å
52	C	89.1	Confident	89	Confident	41 Å²	41	45.5 Å²	45.5	28%	0.277	26%	0.261	S	S	.	.	H	α-helix	trans	-81.3	-22.8	-178.3	-65.1	0	0	0	0	114.5	V48 L49 A89	V48-C52 PolarHBondContact O-N 3.16Å; V48-C52 PolarHBondContact O-SG 3.07Å; L49-C52 PolarHBondContact O-N 2.82Å; C52-A89 HydrophobicContact CB-CB 4.2Å; C52-A89 VanDerWaalsContact SG-CB 3.54Å
53	S	91.1	Very high	87.4	Confident	7 Å²	7	51.3 Å²	51.3	5%	0.049	28%	0.282	C	S	.	.			trans	-154.6	138.1	178.5	172.4	0	0	0	0	114.5	L49 F55 F56 R57 M111	L49-S53 PolarHBondContact O-N 3.03Å; S53-F55 VanDerWaalsContact C-N 3.27Å; S53-F55 PolarHBondContact O-N 3.26Å; S53-F55 WeakPolarHBondContact OG-CB 3.5Å; S53-F55 PolarHBondContact OG-N 2.94Å; S53-F56 PolarHBondContact O-N 3.2Å; S53-R57 WeakPolarHBondContact O-CB 3.48Å; S53-R57 PolarHBondContact O-N 3.28Å; S53-M111 WeakPolarHBondContact CB-O 3.48Å; S53-M111 PolarHBondContact OG-O 2.97Å
54	E	88.7	Confident	85.7	Confident	70 Å²	70	53 Å²	53	33%	0.327	30%	0.297	S	S	.	.	H	α-helix	trans	-68.1	-24.2	171.4	-162.1	64.5	-126.9	0	0	112.8	R57 S58 Y398	E54-R57 WeakPolarHBondContact OE1-CD 3.25Å; E54-R57 IonicContact OE1-CZ 3.63Å; E54-R57 IonicContact OE1-NE 3.83Å; E54-R57 IonicContact OE1-NH1 2.75Å; E54-R57 PolarHBondContact OE1-NH1 3.2Å; E54-R57 IonicContact OE2-CZ 3.68Å; E54-R57 IonicContact OE2-NH1 2.69Å; E54-R57 PolarHBondContact OE2-NH1 3.41Å; E54-S58 VanDerWaalsContact O-CB 3.25Å; E54-S58 WeakPolarHBondContact O-CB 3.27Å; E54-S58 PolarHBondContact O-N 3.42Å; E54-S58 PolarHBondContact O-OG 3.07Å; E54-Y398 HydrophobicContact CG-CE1 4.42Å; E54-Y398 HydrophobicContact CG-CE2 3.97Å
55	F	93.1	Very high	84	Confident	23 Å²	23	59.8 Å²	59.8	10%	0.101	33%	0.329	C	S	.	.	H	α-helix	trans	-63.3	-49.6	170.2	166.3	-89.5	0	0	0	110.3	S53 S58 K59 L74 Y110 M111 Q112	S53-F55 VanDerWaalsContact C-N 3.27Å; S53-F55 PolarHBondContact O-N 3.26Å; S53-F55 WeakPolarHBondContact OG-CB 3.5Å; S53-F55 PolarHBondContact OG-N 2.94Å; F55-S58 PolarHBondContact O-N 3.05Å; F55-K59 HydrophobicContact CE1-CG 4.49Å; F55-K59 HydrophobicContact CZ-CG 4.38Å; F55-K59 VanDerWaalsContact O-CG 3.26Å; F55-K59 WeakPolarHBondContact O-CG 3.5Å; F55-K59 PolarHBondContact O-N 3.42Å; F55-K59 VanDerWaalsContact O-N 3.17Å; F55-L74 HydrophobicContact CE1-CD2 4.03Å; F55-L74 HydrophobicContact CZ-CD2 4.12Å; F55-Y110 HydrophobicContact CE2-CE1 4.14Å; F55-Y110 AromaticContact CZ-CE1 3.83Å; F55-Y110 HydrophobicContact CZ-CE1 3.83Å; F55-M111 HydrophobicContact CD1-CB 4.46Å; F55-M111 HydrophobicContact CD1-CG 4.45Å; F55-Q112 HydrophobicContact CB-CB 4.47Å; F55-Q112 HydrophobicContact CB-CG 4.42Å
56	F	92.4	Very high	82.3	Confident	6 Å²	6	66 Å²	66	3%	0.026	36%	0.362	C	S	.	.	H	α-helix	trans	-63.6	-46.9	175.7	-83.1	-49.3	0	0	0	111	I35 L49 S53 S58 K59 L60 L72 F82 M111	I35-F56 HydrophobicContact CD1-CE1 3.69Å; I35-F56 HydrophobicContact CD1-CZ 3.68Å; L49-F56 HydrophobicContact CB-CB 4.01Å; L49-F56 HydrophobicContact CB-CD1 4.33Å; L49-F56 HydrophobicContact CB-CD2 3.78Å; L49-F56 HydrophobicContact CB-CE2 4.25Å; L49-F56 HydrophobicContact CB-CG 3.82Å; L49-F56 HydrophobicContact CD1-CE1 4.48Å; L49-F56 HydrophobicContact CD2-CD2 4.08Å; L49-F56 HydrophobicContact CD2-CE2 3.67Å; L49-F56 HydrophobicContact CD2-CZ 3.93Å; L49-F56 HydrophobicContact CG-CD2 4.46Å; L49-F56 HydrophobicContact CG-CE2 4.45Å; L49-F56 WeakPolarHBondContact O-CB 3.45Å; S53-F56 PolarHBondContact O-N 3.2Å; F56-S58 VanDerWaalsContact C-N 3.27Å; F56-S58 PolarHBondContact O-N 3.26Å; F56-K59 CarbonylContact O-C 3.55Å; F56-K59 PolarHBondContact O-N 3.38Å; F56-L60 HydrophobicContact CB-CD1 4.04Å; F56-L60 HydrophobicContact CD1-CD1 4.12Å; F56-L60 HydrophobicContact CG-CD1 4.38Å; F56-L60 WeakPolarHBondContact O-CB 3.39Å; F56-L60 VanDerWaalsContact O-CG 3.25Å; F56-L60 WeakPolarHBondContact O-CG 3.27Å; F56-L60 PolarHBondContact O-N 3.12Å; F56-L72 HydrophobicContact CD1-CD2 3.75Å; F56-L72 HydrophobicContact CE1-CD2 3.68Å; F56-F82 HydrophobicContact CZ-CE2 4.12Å; F56-M111 HydrophobicContact CD2-CE 4.27Å; F56-M111 HydrophobicContact CE1-CE 4.3Å; F56-M111 HydrophobicContact CE2-CE 3.27Å; F56-M111 HydrophobicContact CZ-CE 3.3Å
57	R	90.4	Very high	80.7	Confident	121 Å²	121	71.5 Å²	71.5	46%	0.457	39%	0.388	S	S	.	.	H	α-helix	trans	-52.8	-45	177.1	-168.3	165.6	174.7	-117.9	9.3	112.3	A50 S53 E54 K59 V61	A50-R57 HydrophobicContact CB-CB 3.98Å; A50-R57 HydrophobicContact CB-CG 4.15Å; S53-R57 WeakPolarHBondContact O-CB 3.48Å; S53-R57 PolarHBondContact O-N 3.28Å; E54-R57 WeakPolarHBondContact OE1-CD 3.25Å; E54-R57 IonicContact OE1-CZ 3.63Å; E54-R57 IonicContact OE1-NE 3.83Å; E54-R57 IonicContact OE1-NH1 2.75Å; E54-R57 PolarHBondContact OE1-NH1 3.2Å; E54-R57 IonicContact OE2-CZ 3.68Å; E54-R57 IonicContact OE2-NH1 2.69Å; E54-R57 PolarHBondContact OE2-NH1 3.41Å; R57-K59 VanDerWaalsContact C-N 3.3Å; R57-K59 PolarHBondContact O-N 3.17Å; R57-V61 HydrophobicContact CG-CG2 4.1Å; R57-V61 VanDerWaalsContact O-CB 3.27Å; R57-V61 WeakPolarHBondContact O-CB 3.42Å; R57-V61 WeakPolarHBondContact O-CG2 3.31Å; R57-V61 PolarHBondContact O-N 3.42Å
58	S	89.6	Confident	79.4	Confident	63 Å²	63	76.5 Å²	76.5	44%	0.441	41%	0.405	S	S	.	.	H	α-helix	trans	-73.4	-14	177.7	-60.3	0	0	0	0	114.7	E54 F55 F56 Y398	E54-S58 VanDerWaalsContact O-CB 3.25Å; E54-S58 WeakPolarHBondContact O-CB 3.27Å; E54-S58 PolarHBondContact O-N 3.42Å; E54-S58 PolarHBondContact O-OG 3.07Å; F55-S58 PolarHBondContact O-N 3.05Å; F56-S58 VanDerWaalsContact C-N 3.27Å; F56-S58 PolarHBondContact O-N 3.26Å; S58-Y398 PolarHBondContact OG-OH 3.44Å
59	K	86.4	Confident	78.1	Confident	109 Å²	109	82.3 Å²	82.3	47%	0.474	43%	0.429	S	S	.	.	H	α-helix	trans	-98.7	-30.4	175.9	-69.2	-70.8	-176	176.6	0	113.2	F55 F56 R57 L72	F55-K59 HydrophobicContact CE1-CG 4.49Å; F55-K59 HydrophobicContact CZ-CG 4.38Å; F55-K59 VanDerWaalsContact O-CG 3.26Å; F55-K59 WeakPolarHBondContact O-CG 3.5Å; F55-K59 PolarHBondContact O-N 3.42Å; F55-K59 VanDerWaalsContact O-N 3.17Å; F56-K59 CarbonylContact O-C 3.55Å; F56-K59 PolarHBondContact O-N 3.38Å; R57-K59 VanDerWaalsContact C-N 3.3Å; R57-K59 PolarHBondContact O-N 3.17Å; K59-L72 HydrophobicContact CB-CD1 4.42Å
60	L	86	Confident	77.6	Confident	11 Å²	11	83.8 Å²	83.8	6%	0.058	44%	0.436	C	S	.	.	H	α-helix	trans	-103.4	-29.8	-170.6	-59.4	177.4	0	0	0	113.6	V33 K46 L49 F56 F70 L72	V33-L60 HydrophobicContact CG2-CD2 3.99Å; K46-L60 HydrophobicContact CB-CB 4.44Å; K46-L60 HydrophobicContact CB-CD1 4.42Å; K46-L60 HydrophobicContact CG-CB 4.36Å; L49-L60 HydrophobicContact CB-CD1 3.79Å; L49-L60 HydrophobicContact CD1-CD1 3.82Å; F56-L60 HydrophobicContact CB-CD1 4.04Å; F56-L60 HydrophobicContact CD1-CD1 4.12Å; F56-L60 HydrophobicContact CG-CD1 4.38Å; F56-L60 WeakPolarHBondContact O-CB 3.39Å; F56-L60 VanDerWaalsContact O-CG 3.25Å; F56-L60 WeakPolarHBondContact O-CG 3.27Å; F56-L60 PolarHBondContact O-N 3.12Å; L60-F70 HydrophobicContact CD2-CD1 3.75Å; L60-F70 HydrophobicContact CD2-CE1 3.47Å; L60-F70 VanDerWaalsContact CD2-CE1 3.47Å; L60-L72 HydrophobicContact CD2-CD2 4.12Å
61	V	77.6	Confident	77.4	Confident	98 Å²	98	86.3 Å²	86.3	59%	0.594	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	124	-175.9	-176.6	0	0	0	0	110.8	A50 R57	A50-V61 HydrophobicContact CB-CG2 4.19Å; R57-V61 HydrophobicContact CG-CG2 4.1Å; R57-V61 VanDerWaalsContact O-CB 3.27Å; R57-V61 WeakPolarHBondContact O-CB 3.42Å; R57-V61 WeakPolarHBondContact O-CG2 3.31Å; R57-V61 PolarHBondContact O-N 3.42Å
62	G	66.1	Low	77.5	Confident	77 Å²	77	84.2 Å²	84.2	79%	0.794	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	101.2	9	171.1	0	0	0	0	0	116.1
63	R	61	Low	77.6	Confident	160 Å²	160	85 Å²	85	60%	0.604	44%	0.435	S	S	*	.	S	Bend	trans	-79.2	151.5	156.9	-74.3	-173.7	170.1	-126.1	-3.5	109.8
64	P	56.5	Low	77.7	Confident	98 Å²	98	84.7 Å²	84.7	64%	0.636	43%	0.434	S	S	*	.			trans	-70.6	153.6	169.7	33.3	-35.9	0	0	0	110.5	D66	P64-D66 VanDerWaalsContact CB-OD2 3.32Å; P64-D66 WeakPolarHBondContact CB-OD2 3.33Å; P64-D66 PolarHBondContact O-N 2.89Å; P64-D66 VanDerWaalsContact O-N 3.15Å
65	E	58.2	Low	77.7	Confident	143 Å²	143	88.5 Å²	88.5	67%	0.668	45%	0.451	S	S	*	.	S	Bend	trans	-86.3	32.9	-174.4	-61.3	-79.4	104.1	0	0	112.3	K46 E67	K46-E65 IonicContact NZ-OE1 3.84Å; K46-E65 PolarHBondContact NZ-OE1 2.98Å; K46-E65 IonicContact NZ-OE2 3.57Å; K46-E65 PolarHBondContact NZ-OE2 2.85Å; E65-E67 VanDerWaalsContact C-N 3.3Å; E65-E67 PolarHBondContact O-N 2.75Å
66	D	56.4	Low	77.4	Confident	144 Å²	144	94.7 Å²	94.7	77%	0.77	48%	0.48	S	S	*	.			trans	-82.7	1	-172.3	-62.8	-47	0	0	0	114.3	P64	P64-D66 VanDerWaalsContact CB-OD2 3.32Å; P64-D66 WeakPolarHBondContact CB-OD2 3.33Å; P64-D66 PolarHBondContact O-N 2.89Å; P64-D66 VanDerWaalsContact O-N 3.15Å
67	E	57.4	Low	77.5	Confident	142 Å²	142	94.8 Å²	94.8	66%	0.664	48%	0.481	S	S	*	.	S	Bend	trans	-127.4	114.1	177.7	-67.6	-177.4	147.7	0	0	110.3	E65 K69	E65-E67 VanDerWaalsContact C-N 3.3Å; E65-E67 PolarHBondContact O-N 2.75Å; E67-K69 PolarHBondContact O-N 2.84Å
68	E	62.3	Low	77.7	Confident	209 Å²	209	91 Å²	91	98%	0.977	47%	0.472	S	S	*	.	S	Bend	trans	-63.8	-2.6	-171.3	-161.2	171.9	-160.9	0	0	114.8
69	K	64.4	Low	77.9	Confident	130 Å²	130	89.9 Å²	89.9	57%	0.565	46%	0.46	S	S	*	.	S	Bend	trans	-155.1	84.5	175.6	-165.1	166.8	-173.2	168.2	0	111.9	T34 E67 V71	T34-K69 WeakPolarHBondContact OG1-CE 3.44Å; E67-K69 PolarHBondContact O-N 2.84Å; K69-V71 PolarHBondContact O-N 3.05Å
70	F	82.5	Confident	78.2	Confident	32 Å²	32	87.1 Å²	87.1	14%	0.14	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	125.1	178	-178	-102.5	0	0	0	111.4	V33 T34 L60 L72	V33-F70 WeakPolarHBondContact CA-O 3.43Å; V33-F70 HydrophobicContact CB-CD1 4.44Å; V33-F70 HydrophobicContact CG2-CD1 3.91Å; T34-F70 PolarHBondContact N-O 2.89Å; L60-F70 HydrophobicContact CD2-CD1 3.75Å; L60-F70 HydrophobicContact CD2-CE1 3.47Å; L60-F70 VanDerWaalsContact CD2-CE1 3.47Å; F70-L72 HydrophobicContact CE1-CB 3.97Å
71	V	87.4	Confident	78.6	Confident	69 Å²	69	86.6 Å²	86.6	42%	0.418	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.6	177.8	-173.7	0	0	0	0	110.7	T34 R36 K69	T34-V71 CarbonylContact O-C 3.6Å; T34-V71 VanDerWaalsContact O-CA 3.29Å; T34-V71 WeakPolarHBondContact O-CA 3.32Å; R36-V71 HydrophobicContact CB-CG1 4.35Å; K69-V71 PolarHBondContact O-N 3.05Å
72	L	90.6	Very high	79.4	Confident	16 Å²	16	82 Å²	82	8%	0.084	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	115.7	177.4	-179.7	58.7	0	0	0	111.4	V33 T34 I35 R36 F56 K59 L60 F70 L74	V33-L72 HydrophobicContact CG2-CB 4.5Å; T34-L72 PolarHBondContact O-N 3.46Å; I35-L72 CarbonylContact C-O 3.48Å; I35-L72 WeakPolarHBondContact CA-O 3.25Å; I35-L72 HydrophobicContact CG1-CB 4.41Å; R36-L72 PolarHBondContact N-O 3.42Å; F56-L72 HydrophobicContact CD1-CD2 3.75Å; F56-L72 HydrophobicContact CE1-CD2 3.68Å; K59-L72 HydrophobicContact CB-CD1 4.42Å; L60-L72 HydrophobicContact CD2-CD2 4.12Å; F70-L72 HydrophobicContact CE1-CB 3.97Å; L72-L74 HydrophobicContact CG-CD2 4.28Å
73	D	91.6	Very high	80.7	Confident	56 Å²	56	80.1 Å²	80.1	30%	0.299	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	119.6	-177.4	-62.1	-28.9	0	0	0	113.1	R36 H75	R36-D73 WeakPolarHBondContact CB-OD1 3.32Å; R36-D73 IonicContact CZ-OD1 3.97Å; R36-D73 IonicContact CZ-OD2 2.95Å; R36-D73 IonicContact NE-OD1 2.6Å; R36-D73 PolarHBondContact NE-OD1 2.83Å; R36-D73 IonicContact NE-OD2 2.72Å; R36-D73 IonicContact NH2-OD1 3.8Å; R36-D73 PolarHBondContact NH2-OD1 3.29Å; R36-D73 IonicContact NH2-OD2 3.45Å; R36-D73 PolarHBondContact NH2-OD2 3.46Å; D73-H75 WeakPolarHBondContact CB-CE1 3.26Å; D73-H75 IonicContact OD2-CE1 3.98Å
74	L	93.1	Very high	82.3	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.01	38%	0.376	C	S	.	.			trans	-105.5	81.1	175.2	-54.8	-176.3	0	0	0	110.9	I35 R36 V37 F55 L72 H76 V77 F82 Y110 M111	I35-L74 HydrophobicContact CG2-CD1 3.67Å; I35-L74 HydrophobicContact CG2-CG 3.87Å; R36-L74 PolarHBondContact O-N 3.39Å; V37-L74 HydrophobicContact CG2-CB 4.14Å; V37-L74 HydrophobicContact CG2-CD1 4.04Å; V37-L74 HydrophobicContact CG2-CG 4.38Å; F55-L74 HydrophobicContact CE1-CD2 4.03Å; F55-L74 HydrophobicContact CZ-CD2 4.12Å; L72-L74 HydrophobicContact CG-CD2 4.28Å; L74-H76 VanDerWaalsContact C-N 3.32Å; L74-H76 PolarHBondContact O-N 2.79Å; L74-V77 HydrophobicContact CB-CB 4.13Å; L74-V77 HydrophobicContact CB-CG2 4.03Å; L74-F82 HydrophobicContact CD1-CD2 3.97Å; L74-F82 HydrophobicContact CD1-CE2 4.03Å; L74-Y110 HydrophobicContact CD2-CE1 4.49Å; L74-M111 HydrophobicContact CD1-SD 4.39Å
75	H	88.9	Confident	84	Confident	149 Å²	149	68.6 Å²	68.6	69%	0.69	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-23.5	-176.8	-68.1	88.9	0	0	0	115	D73	D73-H75 WeakPolarHBondContact CB-CE1 3.26Å; D73-H75 IonicContact OD2-CE1 3.98Å
76	H	87.2	Confident	85.8	Confident	154 Å²	154	62.2 Å²	62.2	71%	0.713	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	21.8	-175.1	-56	-57.2	0	0	0	113.2	L74 Y110	L74-H76 VanDerWaalsContact C-N 3.32Å; L74-H76 PolarHBondContact O-N 2.79Å; H76-Y110 HydrophobicContact CB-CE2 4.33Å
77	V	93.9	Very high	87.5	Confident	8 Å²	8	59.6 Å²	59.6	5%	0.048	30%	0.3	C	S	.	.			trans	-130.2	137.1	-176.2	-170.9	0	0	0	0	109.1	V37 L74 F82 A107 Y110	V37-V77 HydrophobicContact CG1-CB 4.2Å; V37-V77 HydrophobicContact CG1-CG1 4.39Å; V37-V77 WeakPolarHBondContact CG1-O 3.47Å; L74-V77 HydrophobicContact CB-CB 4.13Å; L74-V77 HydrophobicContact CB-CG2 4.03Å; V77-F82 HydrophobicContact CG1-CB 3.84Å; V77-A107 HydrophobicContact CG1-CB 3.6Å; V77-Y110 HydrophobicContact CG2-CD1 3.58Å; V77-Y110 HydrophobicContact CG2-CE1 3.94Å; V77-Y110 HydrophobicContact CG2-CG 4.38Å
78	T	94.4	Very high	89.1	Confident	42 Å²	42	54.2 Å²	54.2	26%	0.258	27%	0.274	S	S	.	.			trans	-85.9	152.4	175.5	54	0	0	0	0	111.1	S80 G81 F82 D103	T78-S80 WeakPolarHBondContact CB-OG 3.46Å; T78-S80 PolarHBondContact O-N 3.09Å; T78-S80 PolarHBondContact OG1-OG 2.87Å; T78-G81 PolarHBondContact O-N 3.05Å; T78-G81 VanDerWaalsContact O-N 3.15Å; T78-G81 PolarHBondContact OG1-N 3.05Å; T78-F82 WeakPolarHBondContact O-CB 3.17Å; T78-F82 PolarHBondContact O-N 2.9Å; T78-D103 WeakPolarHBondContact OG1-CB 3.29Å; T78-D103 VanDerWaalsContact OG1-CG 3.25Å; T78-D103 PolarHBondContact OG1-OD1 3.38Å
79	I	94.1	Very high	90.5	Very high	39 Å²	39	44.5 Å²	44.5	20%	0.2	23%	0.23	C	C	.	.	H	α-helix	trans	-55.8	-40	172.8	-73	157	0	0	0	111.5	V37 Q38 K40 F42 F82 A83	V37-I79 WeakPolarHBondContact O-CG1 3.5Å; Q38-I79 HydrophobicContact CB-CD1 4.04Å; Q38-I79 HydrophobicContact CB-CG1 4.37Å; K40-I79 HydrophobicContact CB-CD1 3.99Å; K40-I79 HydrophobicContact CB-CG1 4.16Å; K40-I79 HydrophobicContact CD-CD1 3.72Å; K40-I79 HydrophobicContact CD-CG1 4.12Å; K40-I79 HydrophobicContact CD-CG2 3.94Å; K40-I79 HydrophobicContact CG-CD1 3.64Å; K40-I79 HydrophobicContact CG-CG1 4.25Å; F42-I79 HydrophobicContact CZ-CG2 4.43Å; I79-F82 PolarHBondContact O-N 3.37Å; I79-A83 WeakPolarHBondContact O-CB 3.26Å; I79-A83 PolarHBondContact O-N 2.85Å
80	S	92.9	Very high	91.9	Very high	51 Å²	51	38.3 Å²	38.3	36%	0.357	20%	0.203	S	C	.	.	H	α-helix	trans	-63.9	-36	176.7	37.7	0	0	0	0	113.3	T78 P84 D103	T78-S80 WeakPolarHBondContact CB-OG 3.46Å; T78-S80 PolarHBondContact O-N 3.09Å; T78-S80 PolarHBondContact OG1-OG 2.87Å; S80-P84 WeakPolarHBondContact O-CD 3.39Å; S80-P84 WeakPolarHBondContact O-CG 3.4Å; S80-D103 VanDerWaalsContact CB-OD2 3.29Å; S80-D103 WeakPolarHBondContact CB-OD2 3.23Å; S80-D103 PolarHBondContact OG-OD2 3Å
81	G	93.1	Very high	92.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-79.8	-37	175.6	0	0	0	0	0	113.5	T78 L85	T78-G81 PolarHBondContact O-N 3.05Å; T78-G81 VanDerWaalsContact O-N 3.15Å; T78-G81 PolarHBondContact OG1-N 3.05Å; G81-L85 WeakPolarHBondContact O-CD1 3.17Å; G81-L85 WeakPolarHBondContact O-CG 3.33Å
82	F	95.4	Very high	92.2	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	19%	0.187	C	C	.	.	H	α-helix	trans	-78	-45.8	-175.8	177.9	-110.8	0	0	0	114	I35 V37 F42 F56 L74 V77 T78 I79 L85 L86 M111	I35-F82 HydrophobicContact CB-CZ 4.23Å; I35-F82 HydrophobicContact CD1-CE2 4.18Å; I35-F82 HydrophobicContact CD1-CZ 3.62Å; I35-F82 HydrophobicContact CG2-CE1 4.21Å; I35-F82 HydrophobicContact CG2-CE2 4.41Å; I35-F82 HydrophobicContact CG2-CZ 3.93Å; V37-F82 HydrophobicContact CB-CD1 4.33Å; V37-F82 HydrophobicContact CG1-CB 4.07Å; V37-F82 HydrophobicContact CG2-CB 4.2Å; V37-F82 HydrophobicContact CG2-CD1 3.48Å; V37-F82 VanDerWaalsContact CG2-CD1 3.48Å; V37-F82 HydrophobicContact CG2-CD2 4.36Å; V37-F82 HydrophobicContact CG2-CE1 3.91Å; V37-F82 HydrophobicContact CG2-CG 3.73Å; F42-F82 HydrophobicContact CB-CE1 3.98Å; F42-F82 HydrophobicContact CD1-CD1 4.42Å; F42-F82 HydrophobicContact CD1-CE1 4.08Å; F42-F82 AromaticContact CD2-CD1 3.85Å; F42-F82 HydrophobicContact CD2-CD1 3.85Å; F42-F82 AromaticContact CD2-CE1 3.66Å; F42-F82 HydrophobicContact CD2-CE1 3.66Å; F42-F82 HydrophobicContact CE1-CD1 4.36Å; F42-F82 HydrophobicContact CE1-CE1 4.47Å; F42-F82 AromaticContact CE2-CD1 3.8Å; F42-F82 HydrophobicContact CE2-CD1 3.8Å; F42-F82 HydrophobicContact CE2-CE1 4.1Å; F42-F82 HydrophobicContact CG-CD1 4.17Å; F42-F82 AromaticContact CG-CE1 3.64Å; F42-F82 HydrophobicContact CG-CE1 3.64Å; F42-F82 HydrophobicContact CZ-CD1 4.06Å; F42-F82 HydrophobicContact CZ-CE1 4.47Å; F56-F82 HydrophobicContact CZ-CE2 4.12Å; L74-F82 HydrophobicContact CD1-CD2 3.97Å; L74-F82 HydrophobicContact CD1-CE2 4.03Å; V77-F82 HydrophobicContact CG1-CB 3.84Å; T78-F82 WeakPolarHBondContact O-CB 3.17Å; T78-F82 PolarHBondContact O-N 2.9Å; I79-F82 PolarHBondContact O-N 3.37Å; F82-L85 WeakPolarHBondContact O-CB 3.33Å; F82-L85 PolarHBondContact O-N 3.31Å; F82-L86 HydrophobicContact CE1-CB 4.01Å; F82-L86 HydrophobicContact CE1-CD2 3.76Å; F82-L86 HydrophobicContact CE1-CG 4.44Å; F82-L86 HydrophobicContact CE2-CB 4.35Å; F82-L86 HydrophobicContact CZ-CB 3.84Å; F82-L86 HydrophobicContact CZ-CD1 4.37Å; F82-L86 HydrophobicContact CZ-CD2 3.96Å; F82-L86 HydrophobicContact CZ-CG 4.27Å; F82-L86 PolarHBondContact O-N 2.75Å; F82-M111 HydrophobicContact CD2-CE 4.04Å; F82-M111 HydrophobicContact CD2-SD 4.1Å; F82-M111 HydrophobicContact CE2-CE 3.92Å
83	A	94.2	Very high	92	Very high	37 Å²	37	36.4 Å²	36.4	31%	0.306	20%	0.195	S	C	.	.	H	α-helix	trans	-58.8	-42.3	-170.7	0	0	0	0	0	113.8	F42 I79 L85 L86 E87	F42-A83 HydrophobicContact CE1-CB 4.18Å; F42-A83 HydrophobicContact CZ-CB 4.4Å; I79-A83 WeakPolarHBondContact O-CB 3.26Å; I79-A83 PolarHBondContact O-N 2.85Å; A83-L85 VanDerWaalsContact C-N 3.28Å; A83-L85 PolarHBondContact O-N 3.35Å; A83-L86 PolarHBondContact O-N 2.69Å; A83-E87 PolarHBondContact O-N 3.4Å
84	P	92.9	Very high	91.9	Very high	13 Å²	13	33.9 Å²	33.9	8%	0.084	18%	0.182	C	C	.	.	H	α-helix	trans	-65.4	-27.6	175.4	-22.5	35.6	0	0	0	113.7	S80 Y88 L94 V104	S80-P84 WeakPolarHBondContact O-CD 3.39Å; S80-P84 WeakPolarHBondContact O-CG 3.4Å; P84-Y88 VanDerWaalsContact O-CB 3.31Å; P84-Y88 WeakPolarHBondContact O-CB 3.35Å; P84-Y88 PolarHBondContact O-N 2.83Å; P84-L94 HydrophobicContact CB-CD1 3.85Å; P84-L94 WeakPolarHBondContact O-CD1 3.37Å; P84-V104 HydrophobicContact CB-CG2 4.2Å; P84-V104 HydrophobicContact CG-CG2 3.91Å
85	L	94	Very high	91.6	Very high	3 Å²	3	35.7 Å²	35.7	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-75.3	-37.3	176.4	-58.9	178.6	0	0	0	111.7	G81 F82 A83 A89 L94 V104 A107 A108 M111 M113 V116	G81-L85 WeakPolarHBondContact O-CD1 3.17Å; G81-L85 WeakPolarHBondContact O-CG 3.33Å; F82-L85 WeakPolarHBondContact O-CB 3.33Å; F82-L85 PolarHBondContact O-N 3.31Å; A83-L85 VanDerWaalsContact C-N 3.28Å; A83-L85 PolarHBondContact O-N 3.35Å; L85-A89 WeakPolarHBondContact O-CB 3.39Å; L85-A89 PolarHBondContact O-N 2.94Å; L85-L94 HydrophobicContact CD2-CD1 4.37Å; L85-V104 HydrophobicContact CD2-CG1 3.88Å; L85-V104 HydrophobicContact CG-CG1 4.41Å; L85-A107 HydrophobicContact CD1-CB 3.52Å; L85-A108 HydrophobicContact CD1-CB 4.11Å; L85-A108 HydrophobicContact CD2-CB 4.12Å; L85-M111 HydrophobicContact CD1-SD 4.15Å; L85-M113 HydrophobicContact CB-CE 4.08Å; L85-M113 HydrophobicContact CB-SD 4.17Å; L85-M113 HydrophobicContact CD1-SD 4.18Å; L85-M113 HydrophobicContact CD2-CE 3.87Å; L85-M113 HydrophobicContact CD2-SD 4.34Å; L85-M113 HydrophobicContact CG-CE 4.43Å; L85-M113 HydrophobicContact CG-SD 4.47Å; L85-V116 HydrophobicContact CD2-CB 4.47Å; L85-V116 HydrophobicContact CD2-CG1 3.6Å
86	L	94.6	Very high	91.5	Very high	10 Å²	10	28.6 Å²	28.6	5%	0.052	16%	0.161	C	C	.	.	H	α-helix	trans	-69.9	-32.1	171.8	-178.2	62.7	0	0	0	112	R25 F42 A44 L49 F82 A83 Y90	R25-L86 PolarHBondContact NH1-O 3.01Å; R25-L86 VanDerWaalsContact NH1-O 3.08Å; F42-L86 HydrophobicContact CB-CD2 3.72Å; F42-L86 HydrophobicContact CD1-CD2 3.75Å; F42-L86 HydrophobicContact CG-CD2 4.03Å; A44-L86 HydrophobicContact CB-CD1 4.18Å; L49-L86 HydrophobicContact CD2-CD1 3.94Å; F82-L86 HydrophobicContact CE1-CB 4.01Å; F82-L86 HydrophobicContact CE1-CD2 3.76Å; F82-L86 HydrophobicContact CE1-CG 4.44Å; F82-L86 HydrophobicContact CE2-CB 4.35Å; F82-L86 HydrophobicContact CZ-CB 3.84Å; F82-L86 HydrophobicContact CZ-CD1 4.37Å; F82-L86 HydrophobicContact CZ-CD2 3.96Å; F82-L86 HydrophobicContact CZ-CG 4.27Å; F82-L86 PolarHBondContact O-N 2.75Å; A83-L86 PolarHBondContact O-N 2.69Å; L86-Y90 HydrophobicContact CD1-CD2 4.16Å; L86-Y90 HydrophobicContact CD1-CE2 3.83Å; L86-Y90 WeakPolarHBondContact O-CD2 3.49Å
87	E	92.2	Very high	91.4	Very high	88 Å²	88	22.2 Å²	22.2	41%	0.411	13%	0.134	S	C	.	.	H	α-helix	trans	-65.5	-54.1	169.9	-169.4	-179.8	169.4	0	0	110.7	A83 A89 Y90 T91	A83-E87 PolarHBondContact O-N 3.4Å; E87-A89 PolarHBondContact O-N 3.17Å; E87-Y90 CarbonylContact O-C 3.56Å; E87-Y90 WeakPolarHBondContact O-CA 3.47Å; E87-Y90 PolarHBondContact O-N 3.27Å; E87-T91 HydrophobicContact CG-CG2 3.99Å; E87-T91 PolarHBondContact O-N 2.91Å; E87-T91 PolarHBondContact O-OG1 3Å
88	Y	92.3	Very high	91	Very high	29 Å²	29	24.7 Å²	24.7	11%	0.114	15%	0.15	C	C	.	.	H	α-helix	trans	-52.8	-39.3	177.8	170.7	-103.9	0	0	0	113.3	P84 Y90 T91 S92 T93 L94 M113 V116	P84-Y88 VanDerWaalsContact O-CB 3.31Å; P84-Y88 WeakPolarHBondContact O-CB 3.35Å; P84-Y88 PolarHBondContact O-N 2.83Å; Y88-Y90 PolarHBondContact O-N 3.42Å; Y88-Y90 VanDerWaalsContact O-N 3.16Å; Y88-T91 PolarHBondContact O-N 2.94Å; Y88-S92 VanDerWaalsContact O-CA 3.26Å; Y88-S92 WeakPolarHBondContact O-CA 3.27Å; Y88-S92 PolarHBondContact O-N 3.01Å; Y88-T93 WeakPolarHBondContact CA-O 3.07Å; Y88-L94 HydrophobicContact CD2-CB 3.72Å; Y88-L94 HydrophobicContact CG-CB 4.14Å; Y88-M113 HydrophobicContact CD1-CE 3.81Å; Y88-M113 HydrophobicContact CE1-CE 4.16Å; Y88-V116 HydrophobicContact CD1-CG2 3.82Å; Y88-V116 HydrophobicContact CE1-CG2 3.49Å; Y88-V116 VanDerWaalsContact CE1-CG2 3.49Å; Y88-V116 HydrophobicContact CG-CG2 4.46Å
89	A	91.8	Very high	90.6	Very high	6 Å²	6	29.4 Å²	29.4	5%	0.05	17%	0.169	C	C	.	.	H	α-helix	trans	-59.8	-23.1	176.1	0	0	0	0	0	114.2	V48 C52 L85 E87	V48-A89 HydrophobicContact CG1-CB 4.32Å; V48-A89 VanDerWaalsContact CG1-O 3.25Å; V48-A89 WeakPolarHBondContact CG1-O 3.43Å; C52-A89 HydrophobicContact CB-CB 4.2Å; C52-A89 VanDerWaalsContact SG-CB 3.54Å; L85-A89 WeakPolarHBondContact O-CB 3.39Å; L85-A89 PolarHBondContact O-N 2.94Å; E87-A89 PolarHBondContact O-N 3.17Å
90	Y	92.2	Very high	90.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-114.3	-10.1	-176.3	-79.9	-98	0	0	0	114.3	L18 L21 N22 R25 H45 V48 L86 E87 Y88	L18-Y90 VanDerWaalsContact CD2-C 3.46Å; L18-Y90 WeakPolarHBondContact CD2-O 3.39Å; L18-Y90 WeakPolarHBondContact CG-O 3.22Å; L21-Y90 HydrophobicContact CB-CD1 4.22Å; L21-Y90 HydrophobicContact CB-CE1 4.11Å; L21-Y90 WeakPolarHBondContact O-CE1 3.45Å; N22-Y90 HydrophobicContact CB-CD1 4.18Å; R25-Y90 HydrophobicContact CB-CD1 4.44Å; R25-Y90 HydrophobicContact CB-CE1 3.92Å; R25-Y90 HydrophobicContact CG-CE1 4.26Å; R25-Y90 VanDerWaalsContact NH1-CD2 3.25Å; R25-Y90 VanDerWaalsContact NH1-CG 3.35Å; H45-Y90 WeakPolarHBondContact CB-OH 3.22Å; H45-Y90 PolarHBondContact N-OH 3.32Å; H45-Y90 AromaticContact ND1-CE1 3.48Å; H45-Y90 WeakPolarHBondContact ND1-CE1 3.08Å; H45-Y90 AromaticContact ND1-CZ 3.6Å; H45-Y90 PolarHBondContact ND1-OH 3.01Å; V48-Y90 HydrophobicContact CB-CE1 4.38Å; V48-Y90 HydrophobicContact CB-CE2 4.13Å; V48-Y90 HydrophobicContact CG1-CD1 4.43Å; V48-Y90 HydrophobicContact CG1-CD2 3.9Å; V48-Y90 HydrophobicContact CG1-CE1 4.24Å; V48-Y90 HydrophobicContact CG1-CE2 3.66Å; V48-Y90 HydrophobicContact CG1-CG 4.31Å; V48-Y90 HydrophobicContact CG2-CE1 4.03Å; L86-Y90 HydrophobicContact CD1-CD2 4.16Å; L86-Y90 HydrophobicContact CD1-CE2 3.83Å; L86-Y90 WeakPolarHBondContact O-CD2 3.49Å; E87-Y90 CarbonylContact O-C 3.56Å; E87-Y90 WeakPolarHBondContact O-CA 3.47Å; E87-Y90 PolarHBondContact O-N 3.27Å; Y88-Y90 PolarHBondContact O-N 3.42Å; Y88-Y90 VanDerWaalsContact O-N 3.16Å
91	T	90.2	Very high	90.3	Very high	20 Å²	20	27.1 Å²	27.1	12%	0.123	15%	0.152	C	C	.	.	H	α-helix	trans	-121.2	-9.9	179.9	62.3	0	0	0	0	113.1	Q15 E87 Y88 T93	Q15-T91 PolarHBondContact NE2-O 3.5Å; E87-T91 HydrophobicContact CG-CG2 3.99Å; E87-T91 PolarHBondContact O-N 2.91Å; E87-T91 PolarHBondContact O-OG1 3Å; Y88-T91 PolarHBondContact O-N 2.94Å; T91-T93 PolarHBondContact O-N 2.82Å; T91-T93 VanDerWaalsContact O-N 3.07Å; T91-T93 PolarHBondContact O-OG1 3.28Å; T91-T93 WeakPolarHBondContact OG1-CB 3.19Å; T91-T93 PolarHBondContact OG1-N 3.11Å; T91-T93 PolarHBondContact OG1-O 3.43Å
92	S	86.6	Confident	90.3	Very high	16 Å²	16	33 Å²	33	11%	0.112	18%	0.183	C	C	.	.	S	Bend	trans	50.7	20.5	-162.5	-57.4	0	0	0	0	113.9	H8 L18 Y88	H8-S92 PolarHBondContact N-O 3.07Å; H8-S92 WeakPolarHBondContact O-CB 3.16Å; L18-S92 WeakPolarHBondContact CD2-OG 3.44Å; Y88-S92 VanDerWaalsContact O-CA 3.26Å; Y88-S92 WeakPolarHBondContact O-CA 3.27Å; Y88-S92 PolarHBondContact O-N 3.01Å
93	T	87.1	Confident	90.3	Very high	41 Å²	41	35.4 Å²	35.4	25%	0.252	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	120.9	-170.6	-58.4	0	0	0	0	109.9	T5 F6 T7 Y88 T91	T5-T93 HydrophobicContact CG2-CG2 3.43Å; T5-T93 VanDerWaalsContact CG2-CG2 3.43Å; F6-T93 WeakPolarHBondContact O-CA 3.47Å; T7-T93 HydrophobicContact CG2-CG2 3.76Å; Y88-T93 WeakPolarHBondContact CA-O 3.07Å; T91-T93 PolarHBondContact O-N 2.82Å; T91-T93 VanDerWaalsContact O-N 3.07Å; T91-T93 PolarHBondContact O-OG1 3.28Å; T91-T93 WeakPolarHBondContact OG1-CB 3.19Å; T91-T93 PolarHBondContact OG1-N 3.11Å; T91-T93 PolarHBondContact OG1-O 3.43Å
94	L	89.1	Confident	90.3	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	118.7	-177.2	-179.5	66.7	0	0	0	110.3	T5 F6 P84 L85 Y88 I96 V104 V116	T5-L94 WeakPolarHBondContact CA-O 3.44Å; F6-L94 PolarHBondContact N-O 2.89Å; F6-L94 PolarHBondContact O-N 3.23Å; P84-L94 HydrophobicContact CB-CD1 3.85Å; P84-L94 WeakPolarHBondContact O-CD1 3.37Å; L85-L94 HydrophobicContact CD2-CD1 4.37Å; Y88-L94 HydrophobicContact CD2-CB 3.72Å; Y88-L94 HydrophobicContact CG-CB 4.14Å; L94-I96 HydrophobicContact CD2-CD1 3.77Å; L94-I96 HydrophobicContact CD2-CG1 3.96Å; L94-I96 HydrophobicContact CG-CD1 4.19Å; L94-I96 HydrophobicContact CG-CG1 3.82Å; L94-V104 HydrophobicContact CD1-CG1 4.37Å; L94-V116 HydrophobicContact CD2-CB 4.3Å; L94-V116 HydrophobicContact CD2-CG1 3.39Å; L94-V116 HydrophobicContact CD2-CG2 4.11Å
95	S	85.7	Confident	90.4	Very high	39 Å²	39	34.4 Å²	34.4	27%	0.273	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	126.2	171.4	56.8	0	0	0	0	110.1
96	I	86.6	Confident	90.4	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	128.7	179.7	-46.8	180	0	0	0	109.5	V3 K4 F6 L94 I101 F123	V3-I96 WeakPolarHBondContact CA-O 3.42Å; K4-I96 PolarHBondContact N-O 3.39Å; K4-I96 PolarHBondContact O-N 3.44Å; F6-I96 HydrophobicContact CD2-CD1 3.72Å; F6-I96 HydrophobicContact CD2-CG1 4.03Å; F6-I96 HydrophobicContact CE2-CB 4.38Å; F6-I96 HydrophobicContact CE2-CD1 3.69Å; F6-I96 HydrophobicContact CE2-CG1 4.15Å; L94-I96 HydrophobicContact CD2-CD1 3.77Å; L94-I96 HydrophobicContact CD2-CG1 3.96Å; L94-I96 HydrophobicContact CG-CD1 4.19Å; L94-I96 HydrophobicContact CG-CG1 3.82Å; I96-I101 HydrophobicContact CG2-CB 3.69Å; I96-I101 HydrophobicContact CG2-CD1 3.7Å; I96-I101 HydrophobicContact CG2-CG1 3.69Å; I96-F123 HydrophobicContact CB-CD2 4.42Å; I96-F123 HydrophobicContact CB-CE2 4.43Å; I96-F123 HydrophobicContact CG2-CD2 4.41Å; I96-F123 HydrophobicContact CG2-CE2 4.45Å
97	S	86.3	Confident	90.5	Very high	20 Å²	20	36.7 Å²	36.7	14%	0.14	21%	0.205	C	C	.	.			trans	-108.5	165.6	171.7	83.3	0	0	0	0	110.9	E99 N100 I101	S97-E99 PolarHBondContact O-N 3.07Å; S97-E99 PolarHBondContact OG-N 3.32Å; S97-E99 VanDerWaalsContact OG-N 3.15Å; S97-N100 PolarHBondContact N-OD1 3.44Å; S97-N100 PolarHBondContact O-OD1 3.2Å; S97-N100 PolarHBondContact OG-N 3.36Å; S97-N100 PolarHBondContact OG-OD1 2.9Å; S97-I101 WeakPolarHBondContact O-CB 3.41Å; S97-I101 PolarHBondContact O-N 2.7Å
98	T	85.2	Confident	90.6	Very high	61 Å²	61	32.5 Å²	32.5	37%	0.374	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-15.9	172	43.5	0	0	0	0	113.8	F123	T98-F123 HydrophobicContact CG2-CE1 4Å; T98-F123 HydrophobicContact CG2-CZ 4.11Å
99	E	86.8	Confident	90.7	Very high	141 Å²	141	34.1 Å²	34.1	66%	0.659	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-42.6	-175.6	-62.6	162.4	-175	0	0	111.7	M1 S97	M1-E99 HydrophobicContact CE-CG 4.44Å; M1-E99 WeakPolarHBondContact CE-OE1 3.42Å; S97-E99 PolarHBondContact O-N 3.07Å; S97-E99 PolarHBondContact OG-N 3.32Å; S97-E99 VanDerWaalsContact OG-N 3.15Å
100	N	89.8	Confident	90.9	Very high	32 Å²	32	38.3 Å²	38.3	17%	0.171	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-9.5	-176.3	74	-5.7	0	0	0	114.4	S97 I102 D103 V104	S97-N100 PolarHBondContact N-OD1 3.44Å; S97-N100 PolarHBondContact O-OD1 3.2Å; S97-N100 PolarHBondContact OG-N 3.36Å; S97-N100 PolarHBondContact OG-OD1 2.9Å; N100-I102 VanDerWaalsContact C-N 3.32Å; N100-I102 PolarHBondContact O-N 2.74Å; N100-D103 WeakPolarHBondContact O-CB 3.4Å; N100-D103 PolarHBondContact O-N 2.93Å; N100-D103 VanDerWaalsContact O-N 3.16Å; N100-V104 HydrophobicContact CB-CG2 4.33Å; N100-V104 WeakPolarHBondContact O-CG2 3.22Å; N100-V104 PolarHBondContact O-N 3.02Å
101	I	91.3	Very high	90.9	Very high	9 Å²	9	38.3 Å²	38.3	5%	0.046	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-35	-169.3	-171.9	162.4	0	0	0	115	I96 S97 L105 C120 F123 M124	I96-I101 HydrophobicContact CG2-CB 3.69Å; I96-I101 HydrophobicContact CG2-CD1 3.7Å; I96-I101 HydrophobicContact CG2-CG1 3.69Å; S97-I101 WeakPolarHBondContact O-CB 3.41Å; S97-I101 PolarHBondContact O-N 2.7Å; I101-L105 WeakPolarHBondContact O-CB 3.44Å; I101-L105 PolarHBondContact O-N 3.13Å; I101-C120 HydrophobicContact CD1-CB 4.42Å; I101-C120 WeakPolarHBondContact CD1-O 3.35Å; I101-C120 HydrophobicContact CG1-CB 4.12Å; I101-F123 HydrophobicContact CD1-CB 3.65Å; I101-F123 HydrophobicContact CD1-CD1 3.15Å; I101-F123 HydrophobicContact CD1-CD2 4.46Å; I101-F123 HydrophobicContact CD1-CE1 3.85Å; I101-F123 HydrophobicContact CD1-CG 3.54Å; I101-M124 HydrophobicContact CD1-CG 3.51Å; I101-M124 HydrophobicContact CG1-CG 3.91Å; I101-M124 HydrophobicContact CG2-CG 4.28Å
102	I	93.1	Very high	91.1	Very high	123 Å²	123	40.9 Å²	40.9	63%	0.631	23%	0.227	S	C	*	.	H	α-helix	trans	-67.4	-44	179.6	-59.1	177.3	0	0	0	109.6	N100 L105 A106	N100-I102 VanDerWaalsContact C-N 3.32Å; N100-I102 PolarHBondContact O-N 2.74Å; I102-L105 PolarHBondContact O-N 3.45Å; I102-A106 WeakPolarHBondContact O-CB 3.41Å; I102-A106 PolarHBondContact O-N 3.15Å
103	D	94.2	Very high	91.3	Very high	52 Å²	52	40.8 Å²	40.8	28%	0.278	23%	0.225	S	C	.	.	H	α-helix	trans	-62.8	-47.6	175.3	-73.9	-27.3	0	0	0	111.9	T78 S80 N100 L105 A106 A107	T78-D103 WeakPolarHBondContact OG1-CB 3.29Å; T78-D103 VanDerWaalsContact OG1-CG 3.25Å; T78-D103 PolarHBondContact OG1-OD1 3.38Å; S80-D103 VanDerWaalsContact CB-OD2 3.29Å; S80-D103 WeakPolarHBondContact CB-OD2 3.23Å; S80-D103 PolarHBondContact OG-OD2 3Å; N100-D103 WeakPolarHBondContact O-CB 3.4Å; N100-D103 PolarHBondContact O-N 2.93Å; N100-D103 VanDerWaalsContact O-N 3.16Å; D103-L105 VanDerWaalsContact C-N 3.34Å; D103-L105 PolarHBondContact O-N 3.32Å; D103-A106 PolarHBondContact O-N 2.82Å; D103-A107 VanDerWaalsContact O-CB 3.23Å; D103-A107 WeakPolarHBondContact O-CB 3.4Å; D103-A107 PolarHBondContact O-N 3.39Å
104	V	94.3	Very high	91.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.3	-38.8	-179.8	175.9	0	0	0	0	110.8	P84 L85 L94 N100 A108	P84-V104 HydrophobicContact CB-CG2 4.2Å; P84-V104 HydrophobicContact CG-CG2 3.91Å; L85-V104 HydrophobicContact CD2-CG1 3.88Å; L85-V104 HydrophobicContact CG-CG1 4.41Å; L94-V104 HydrophobicContact CD1-CG1 4.37Å; N100-V104 HydrophobicContact CB-CG2 4.33Å; N100-V104 WeakPolarHBondContact O-CG2 3.22Å; N100-V104 PolarHBondContact O-N 3.02Å; V104-A108 WeakPolarHBondContact O-CB 3.42Å; V104-A108 PolarHBondContact O-N 2.71Å
105	L	94.5	Very high	91.5	Very high	30 Å²	30	49.1 Å²	49.1	16%	0.157	27%	0.27	C	S	.	.	H	α-helix	trans	-66.7	-45	173.9	175.4	58.3	0	0	0	112.2	I101 I102 D103 A108 S109 A117 C120 M124	I101-L105 WeakPolarHBondContact O-CB 3.44Å; I101-L105 PolarHBondContact O-N 3.13Å; I102-L105 PolarHBondContact O-N 3.45Å; D103-L105 VanDerWaalsContact C-N 3.34Å; D103-L105 PolarHBondContact O-N 3.32Å; L105-A108 PolarHBondContact O-N 3.41Å; L105-S109 VanDerWaalsContact O-CB 3.26Å; L105-S109 WeakPolarHBondContact O-CB 3.43Å; L105-S109 PolarHBondContact O-N 2.92Å; L105-S109 PolarHBondContact O-OG 3.01Å; L105-A117 HydrophobicContact CD1-CB 3.85Å; L105-A117 WeakPolarHBondContact CD1-O 3.15Å; L105-C120 HydrophobicContact CB-CB 3.89Å; L105-C120 HydrophobicContact CD1-CB 4Å; L105-C120 HydrophobicContact CG-CB 4.39Å; L105-M124 HydrophobicContact CD2-CE 3.33Å; L105-M124 HydrophobicContact CD2-SD 4.09Å
106	A	95.6	Very high	91.8	Very high	58 Å²	58	47.4 Å²	47.4	48%	0.479	26%	0.258	S	S	.	.	H	α-helix	trans	-62.1	-46.9	178.3	0	0	0	0	0	111	I102 D103 S109 Y110	I102-A106 WeakPolarHBondContact O-CB 3.41Å; I102-A106 PolarHBondContact O-N 3.15Å; D103-A106 PolarHBondContact O-N 2.82Å; A106-S109 PolarHBondContact O-N 3.04Å; A106-Y110 WeakPolarHBondContact O-CB 3.19Å; A106-Y110 PolarHBondContact O-N 3.12Å
107	A	95.7	Very high	92.1	Very high	3 Å²	3	48 Å²	48	3%	0.025	26%	0.263	C	S	.	.	H	α-helix	trans	-59.6	-50.8	174.8	0	0	0	0	0	111.8	V77 L85 D103 S109 Y110 M111	V77-A107 HydrophobicContact CG1-CB 3.6Å; L85-A107 HydrophobicContact CD1-CB 3.52Å; D103-A107 VanDerWaalsContact O-CB 3.23Å; D103-A107 WeakPolarHBondContact O-CB 3.4Å; D103-A107 PolarHBondContact O-N 3.39Å; A107-S109 VanDerWaalsContact C-N 3.28Å; A107-S109 PolarHBondContact O-N 2.59Å; A107-Y110 PolarHBondContact O-N 3.33Å; A107-M111 VanDerWaalsContact O-CB 3.27Å; A107-M111 WeakPolarHBondContact O-CB 3.43Å; A107-M111 WeakPolarHBondContact O-CG 3.45Å; A107-M111 PolarHBondContact O-N 3.42Å
108	A	94.6	Very high	92.3	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-61.8	-36.1	179.3	0	0	0	0	0	112.4	L85 V104 L105 M111 Q112 M113 V116 A117	L85-A108 HydrophobicContact CD1-CB 4.11Å; L85-A108 HydrophobicContact CD2-CB 4.12Å; V104-A108 WeakPolarHBondContact O-CB 3.42Å; V104-A108 PolarHBondContact O-N 2.71Å; L105-A108 PolarHBondContact O-N 3.41Å; A108-M111 CarbonylContact O-C 3.57Å; A108-Q112 PolarHBondContact O-N 3.01Å; A108-Q112 VanDerWaalsContact O-N 3.07Å; A108-M113 HydrophobicContact CB-CB 4.15Å; A108-M113 PolarHBondContact O-N 2.88Å; A108-V116 HydrophobicContact CB-CB 4.21Å; A108-V116 HydrophobicContact CB-CG1 3.82Å; A108-A117 HydrophobicContact CB-CB 4.31Å
109	S	94.5	Very high	92.5	Very high	63 Å²	63	48.6 Å²	48.6	44%	0.441	27%	0.268	S	S	.	.	H	α-helix	trans	-70.2	-46.9	177.7	-57.6	0	0	0	0	111.7	L105 A106 A107 M111 Q112	L105-S109 VanDerWaalsContact O-CB 3.26Å; L105-S109 WeakPolarHBondContact O-CB 3.43Å; L105-S109 PolarHBondContact O-N 2.92Å; L105-S109 PolarHBondContact O-OG 3.01Å; A106-S109 PolarHBondContact O-N 3.04Å; A107-S109 VanDerWaalsContact C-N 3.28Å; A107-S109 PolarHBondContact O-N 2.59Å; S109-M111 VanDerWaalsContact C-N 3.27Å; S109-M111 PolarHBondContact O-N 2.94Å; S109-Q112 PolarHBondContact O-N 3.4Å
110	Y	94.8	Very high	92.8	Very high	93 Å²	93	41.9 Å²	41.9	37%	0.365	24%	0.237	S	C	.	.	H	α-helix	trans	-58.3	-41.4	174.2	178	-102.7	0	0	0	111.6	F55 L74 H76 V77 A106 A107 Q112	F55-Y110 HydrophobicContact CE2-CE1 4.14Å; F55-Y110 AromaticContact CZ-CE1 3.83Å; F55-Y110 HydrophobicContact CZ-CE1 3.83Å; L74-Y110 HydrophobicContact CD2-CE1 4.49Å; H76-Y110 HydrophobicContact CB-CE2 4.33Å; V77-Y110 HydrophobicContact CG2-CD1 3.58Å; V77-Y110 HydrophobicContact CG2-CE1 3.94Å; V77-Y110 HydrophobicContact CG2-CG 4.38Å; A106-Y110 WeakPolarHBondContact O-CB 3.19Å; A106-Y110 PolarHBondContact O-N 3.12Å; A107-Y110 PolarHBondContact O-N 3.33Å; Y110-Q112 VanDerWaalsContact C-N 3.31Å; Y110-Q112 PolarHBondContact O-N 3.15Å
111	M	93.8	Very high	92.9	Very high	1 Å²	1	43 Å²	43	1%	0.005	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	11.6	-178.6	-59.2	168.5	59.4	0	0	113.5	S53 F55 F56 L74 F82 L85 A107 A108 S109 M113	S53-M111 WeakPolarHBondContact CB-O 3.48Å; S53-M111 PolarHBondContact OG-O 2.97Å; F55-M111 HydrophobicContact CD1-CB 4.46Å; F55-M111 HydrophobicContact CD1-CG 4.45Å; F56-M111 HydrophobicContact CD2-CE 4.27Å; F56-M111 HydrophobicContact CE1-CE 4.3Å; F56-M111 HydrophobicContact CE2-CE 3.27Å; F56-M111 HydrophobicContact CZ-CE 3.3Å; L74-M111 HydrophobicContact CD1-SD 4.39Å; F82-M111 HydrophobicContact CD2-CE 4.04Å; F82-M111 HydrophobicContact CD2-SD 4.1Å; F82-M111 HydrophobicContact CE2-CE 3.92Å; L85-M111 HydrophobicContact CD1-SD 4.15Å; A107-M111 VanDerWaalsContact O-CB 3.27Å; A107-M111 WeakPolarHBondContact O-CB 3.43Å; A107-M111 WeakPolarHBondContact O-CG 3.45Å; A107-M111 PolarHBondContact O-N 3.42Å; A108-M111 CarbonylContact O-C 3.57Å; S109-M111 VanDerWaalsContact C-N 3.27Å; S109-M111 PolarHBondContact O-N 2.94Å; M111-M113 HydrophobicContact CB-CG 4.42Å; M111-M113 HydrophobicContact CB-SD 4.39Å; M111-M113 HydrophobicContact CE-SD 4.32Å; M111-M113 PolarHBondContact O-N 3.37Å; M111-M113 VanDerWaalsContact O-N 3.11Å
112	Q	93.1	Very high	92.8	Very high	74 Å²	74	48.4 Å²	48.4	35%	0.346	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	26	175.1	-56.3	-177.6	1	0	0	115.1	F55 A108 S109 Y110 F114	F55-Q112 HydrophobicContact CB-CB 4.47Å; F55-Q112 HydrophobicContact CB-CG 4.42Å; A108-Q112 PolarHBondContact O-N 3.01Å; A108-Q112 VanDerWaalsContact O-N 3.07Å; S109-Q112 PolarHBondContact O-N 3.4Å; Y110-Q112 VanDerWaalsContact C-N 3.31Å; Y110-Q112 PolarHBondContact O-N 3.15Å; Q112-F114 HydrophobicContact CB-CE2 3.94Å; Q112-F114 HydrophobicContact CB-CZ 4.06Å; Q112-F114 HydrophobicContact CG-CZ 4.36Å; Q112-F114 WeakPolarHBondContact O-CD2 3.42Å; Q112-F114 WeakPolarHBondContact O-CE2 3.48Å; Q112-F114 PolarHBondContact O-N 2.93Å
113	M	92.3	Very high	92.5	Very high	13 Å²	13	42.8 Å²	42.8	6%	0.064	24%	0.243	C	C	.	.			trans	-83	63.6	176.4	-67.1	173.4	62.9	0	0	110.5	L85 Y88 A108 M111 A115 V116 A117	L85-M113 HydrophobicContact CB-CE 4.08Å; L85-M113 HydrophobicContact CB-SD 4.17Å; L85-M113 HydrophobicContact CD1-SD 4.18Å; L85-M113 HydrophobicContact CD2-CE 3.87Å; L85-M113 HydrophobicContact CD2-SD 4.34Å; L85-M113 HydrophobicContact CG-CE 4.43Å; L85-M113 HydrophobicContact CG-SD 4.47Å; Y88-M113 HydrophobicContact CD1-CE 3.81Å; Y88-M113 HydrophobicContact CE1-CE 4.16Å; A108-M113 HydrophobicContact CB-CB 4.15Å; A108-M113 PolarHBondContact O-N 2.88Å; M111-M113 HydrophobicContact CB-CG 4.42Å; M111-M113 HydrophobicContact CB-SD 4.39Å; M111-M113 HydrophobicContact CE-SD 4.32Å; M111-M113 PolarHBondContact O-N 3.37Å; M111-M113 VanDerWaalsContact O-N 3.11Å; M113-A115 VanDerWaalsContact C-N 3.29Å; M113-A115 PolarHBondContact O-N 3.08Å; M113-A115 VanDerWaalsContact O-N 3.15Å; M113-V116 HydrophobicContact CB-CB 4.34Å; M113-V116 HydrophobicContact CE-CG2 4.04Å; M113-V116 PolarHBondContact O-N 2.87Å; M113-A117 PolarHBondContact O-N 2.79Å
114	F	90.9	Very high	92.3	Very high	153 Å²	153	43.2 Å²	43.2	67%	0.671	24%	0.244	S	C	*	.	H	α-helix	trans	-54.4	-37	-168.9	-61.4	-70.9	0	0	0	114.8	Q112 A117 S118	Q112-F114 HydrophobicContact CB-CE2 3.94Å; Q112-F114 HydrophobicContact CB-CZ 4.06Å; Q112-F114 HydrophobicContact CG-CZ 4.36Å; Q112-F114 WeakPolarHBondContact O-CD2 3.42Å; Q112-F114 WeakPolarHBondContact O-CE2 3.48Å; Q112-F114 PolarHBondContact O-N 2.93Å; F114-A117 PolarHBondContact O-N 3.04Å; F114-S118 PolarHBondContact O-N 3.22Å
115	A	88.9	Confident	91.9	Very high	66 Å²	66	51 Å²	51	55%	0.545	28%	0.278	S	S	.	.	H	α-helix	trans	-61.8	-45.2	176.9	0	0	0	0	0	111.8	M113 S118 T119	M113-A115 VanDerWaalsContact C-N 3.29Å; M113-A115 PolarHBondContact O-N 3.08Å; M113-A115 VanDerWaalsContact O-N 3.15Å; A115-S118 WeakPolarHBondContact O-CB 3.45Å; A115-S118 PolarHBondContact O-N 3.03Å; A115-T119 PolarHBondContact O-N 3.39Å; A115-T119 VanDerWaalsContact O-N 3.12Å
116	V	91.2	Very high	91.2	Very high	4 Å²	4	51.2 Å²	51.2	2%	0.024	28%	0.282	C	S	.	.	H	α-helix	trans	-66.7	-45.6	176.5	171.1	0	0	0	0	110.8	L85 Y88 L94 A108 M113 S118 T119 C120	L85-V116 HydrophobicContact CD2-CB 4.47Å; L85-V116 HydrophobicContact CD2-CG1 3.6Å; Y88-V116 HydrophobicContact CD1-CG2 3.82Å; Y88-V116 HydrophobicContact CE1-CG2 3.49Å; Y88-V116 VanDerWaalsContact CE1-CG2 3.49Å; Y88-V116 HydrophobicContact CG-CG2 4.46Å; L94-V116 HydrophobicContact CD2-CB 4.3Å; L94-V116 HydrophobicContact CD2-CG1 3.39Å; L94-V116 HydrophobicContact CD2-CG2 4.11Å; A108-V116 HydrophobicContact CB-CB 4.21Å; A108-V116 HydrophobicContact CB-CG1 3.82Å; M113-V116 HydrophobicContact CB-CB 4.34Å; M113-V116 HydrophobicContact CE-CG2 4.04Å; M113-V116 PolarHBondContact O-N 2.87Å; V116-S118 PolarHBondContact O-N 3.46Å; V116-T119 WeakPolarHBondContact CA-OG1 3.26Å; V116-T119 PolarHBondContact O-N 2.88Å; V116-T119 PolarHBondContact O-OG1 3.49Å; V116-C120 PolarHBondContact O-N 3.43Å; V116-C120 PolarHBondContact O-SG 3.05Å; V116-C120 VanDerWaalsContact O-SG 3.37Å
117	A	93.3	Very high	90.1	Very high	12 Å²	12	50.3 Å²	50.3	10%	0.099	27%	0.272	C	S	.	.	H	α-helix	trans	-56.9	-35.5	175.9	0	0	0	0	0	112.5	L105 A108 M113 F114 S121	L105-A117 HydrophobicContact CD1-CB 3.85Å; L105-A117 WeakPolarHBondContact CD1-O 3.15Å; A108-A117 HydrophobicContact CB-CB 4.31Å; M113-A117 PolarHBondContact O-N 2.79Å; F114-A117 PolarHBondContact O-N 3.04Å; A117-S121 WeakPolarHBondContact O-CB 3.47Å; A117-S121 PolarHBondContact O-N 3.45Å; A117-S121 PolarHBondContact O-OG 2.92Å
118	S	91.1	Very high	88.4	Confident	56 Å²	56	56.2 Å²	56.2	39%	0.392	30%	0.302	S	S	.	.	H	α-helix	trans	-65	-49.4	171.8	-157.9	0	0	0	0	112	F114 A115 V116 C120 S121 E122	F114-S118 PolarHBondContact O-N 3.22Å; A115-S118 WeakPolarHBondContact O-CB 3.45Å; A115-S118 PolarHBondContact O-N 3.03Å; V116-S118 PolarHBondContact O-N 3.46Å; S118-C120 VanDerWaalsContact C-N 3.35Å; S118-C120 PolarHBondContact O-N 2.88Å; S118-S121 WeakPolarHBondContact O-CB 3.24Å; S118-S121 PolarHBondContact O-N 2.86Å; S118-S121 VanDerWaalsContact O-N 3.08Å; S118-E122 PolarHBondContact O-N 3.48Å; S118-E122 PolarHBondContact OG-OE1 2.87Å
119	T	89.8	Confident	86.4	Confident	38 Å²	38	63.4 Å²	63.4	23%	0.233	34%	0.34	C	S	.	.	H	α-helix	trans	-62.6	-37.9	179.3	57.1	0	0	0	0	113.2	F6 A115 V116 E122 F123	F6-T119 HydrophobicContact CD1-CG2 4.45Å; A115-T119 PolarHBondContact O-N 3.39Å; A115-T119 VanDerWaalsContact O-N 3.12Å; V116-T119 WeakPolarHBondContact CA-OG1 3.26Å; V116-T119 PolarHBondContact O-N 2.88Å; V116-T119 PolarHBondContact O-OG1 3.49Å; T119-E122 PolarHBondContact O-N 2.89Å; T119-F123 WeakPolarHBondContact O-CB 3.16Å; T119-F123 PolarHBondContact O-N 2.87Å
120	C	91.4	Very high	83.6	Confident	0 Å²	0	71 Å²	71	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-62.3	-45.5	170.9	-62.9	0	0	0	0	111.3	I101 L105 V116 S118 E122 F123 M124	I101-C120 HydrophobicContact CD1-CB 4.42Å; I101-C120 WeakPolarHBondContact CD1-O 3.35Å; I101-C120 HydrophobicContact CG1-CB 4.12Å; L105-C120 HydrophobicContact CB-CB 3.89Å; L105-C120 HydrophobicContact CD1-CB 4Å; L105-C120 HydrophobicContact CG-CB 4.39Å; V116-C120 PolarHBondContact O-N 3.43Å; V116-C120 PolarHBondContact O-SG 3.05Å; V116-C120 VanDerWaalsContact O-SG 3.37Å; S118-C120 VanDerWaalsContact C-N 3.35Å; S118-C120 PolarHBondContact O-N 2.88Å; C120-E122 VanDerWaalsContact C-N 3.34Å; C120-E122 PolarHBondContact O-N 3.48Å; C120-F123 PolarHBondContact O-N 3.38Å; C120-M124 WeakPolarHBondContact O-CG 3.43Å; C120-M124 PolarHBondContact O-N 2.89Å
121	S	92.2	Very high	80.8	Confident	56 Å²	56	70.2 Å²	70.2	39%	0.392	37%	0.367	S	S	.	.	H	α-helix	trans	-62.2	-40.9	179	-59.7	0	0	0	0	112.4	A117 S118 M124 K125	A117-S121 WeakPolarHBondContact O-CB 3.47Å; A117-S121 PolarHBondContact O-N 3.45Å; A117-S121 PolarHBondContact O-OG 2.92Å; S118-S121 WeakPolarHBondContact O-CB 3.24Å; S118-S121 PolarHBondContact O-N 2.86Å; S118-S121 VanDerWaalsContact O-N 3.08Å; S121-M124 PolarHBondContact O-N 3.31Å; S121-K125 WeakPolarHBondContact O-CB 3.43Å; S121-K125 PolarHBondContact O-N 3.47Å
122	E	89.4	Confident	78.2	Confident	121 Å²	121	76.1 Å²	76.1	57%	0.565	41%	0.405	S	S	*	.	H	α-helix	trans	-67.1	-40.8	174.6	-73.9	174.3	-146.7	0	0	112.4	S118 T119 C120 K125 S126	S118-E122 PolarHBondContact O-N 3.48Å; S118-E122 PolarHBondContact OG-OE1 2.87Å; T119-E122 PolarHBondContact O-N 2.89Å; C120-E122 VanDerWaalsContact C-N 3.34Å; C120-E122 PolarHBondContact O-N 3.48Å; E122-K125 PolarHBondContact O-N 2.94Å; E122-S126 WeakPolarHBondContact O-CB 3.46Å; E122-S126 PolarHBondContact O-N 2.92Å
123	F	87.6	Confident	75.4	Confident	5 Å²	5	78.2 Å²	78.2	2%	0.022	42%	0.424	C	S	.	.	H	α-helix	trans	-59.8	-50.6	172.6	179.2	-63.8	0	0	0	110.6	K4 F6 I96 T98 I101 T119 C120 K125 S126 S127	K4-F123 HydrophobicContact CB-CD2 4.02Å; K4-F123 HydrophobicContact CB-CE2 3.73Å; K4-F123 HydrophobicContact CD-CD2 3.66Å; K4-F123 HydrophobicContact CD-CE2 3.63Å; K4-F123 HydrophobicContact CG-CD2 4.06Å; K4-F123 HydrophobicContact CG-CE2 3.6Å; F6-F123 AromaticContact CE2-CD2 3.92Å; F6-F123 HydrophobicContact CE2-CD2 3.92Å; F6-F123 HydrophobicContact CZ-CB 4.29Å; F6-F123 HydrophobicContact CZ-CD2 4.04Å; I96-F123 HydrophobicContact CB-CD2 4.42Å; I96-F123 HydrophobicContact CB-CE2 4.43Å; I96-F123 HydrophobicContact CG2-CD2 4.41Å; I96-F123 HydrophobicContact CG2-CE2 4.45Å; T98-F123 HydrophobicContact CG2-CE1 4Å; T98-F123 HydrophobicContact CG2-CZ 4.11Å; I101-F123 HydrophobicContact CD1-CB 3.65Å; I101-F123 HydrophobicContact CD1-CD1 3.15Å; I101-F123 HydrophobicContact CD1-CD2 4.46Å; I101-F123 HydrophobicContact CD1-CE1 3.85Å; I101-F123 HydrophobicContact CD1-CG 3.54Å; T119-F123 WeakPolarHBondContact O-CB 3.16Å; T119-F123 PolarHBondContact O-N 2.87Å; C120-F123 PolarHBondContact O-N 3.38Å; F123-K125 VanDerWaalsContact C-N 3.33Å; F123-K125 PolarHBondContact O-N 3.26Å; F123-S126 CarbonylContact O-C 3.51Å; F123-S126 WeakPolarHBondContact O-CA 3.34Å; F123-S126 WeakPolarHBondContact O-CB 3.42Å; F123-S126 PolarHBondContact O-N 3.03Å; F123-S126 PolarHBondContact O-OG 2.72Å; F123-S127 WeakPolarHBondContact CD1-OG 3.48Å; F123-S127 WeakPolarHBondContact CE1-OG 3.45Å; F123-S127 PolarHBondContact O-N 3.16Å; F123-S127 PolarHBondContact O-OG 3.37Å
124	M	88.8	Confident	72.7	Confident	61 Å²	61	84.1 Å²	84.1	30%	0.3	46%	0.455	S	S	.	.	H	α-helix	trans	-57.2	-47.2	-179.7	-69.8	-164.9	-49.6	0	0	111.2	I101 L105 C120 S121 S126 S127 I128	I101-M124 HydrophobicContact CD1-CG 3.51Å; I101-M124 HydrophobicContact CG1-CG 3.91Å; I101-M124 HydrophobicContact CG2-CG 4.28Å; L105-M124 HydrophobicContact CD2-CE 3.33Å; L105-M124 HydrophobicContact CD2-SD 4.09Å; C120-M124 WeakPolarHBondContact O-CG 3.43Å; C120-M124 PolarHBondContact O-N 2.89Å; S121-M124 PolarHBondContact O-N 3.31Å; M124-S126 VanDerWaalsContact C-N 3.3Å; M124-S126 PolarHBondContact O-N 3.06Å; M124-S127 PolarHBondContact O-N 3.37Å; M124-S127 VanDerWaalsContact O-N 3.16Å; M124-I128 WeakPolarHBondContact O-CG1 3.37Å; M124-I128 PolarHBondContact O-N 3.41Å
125	K	85.6	Confident	69.7	Low	163 Å²	163	83.4 Å²	83.4	71%	0.709	46%	0.459	S	S	*	.	H	α-helix	trans	-57.5	-41.4	174.4	-176.9	-178.7	176.4	-175.4	0	112.1	S121 E122 F123 L129	S121-K125 WeakPolarHBondContact O-CB 3.43Å; S121-K125 PolarHBondContact O-N 3.47Å; E122-K125 PolarHBondContact O-N 2.94Å; F123-K125 VanDerWaalsContact C-N 3.33Å; F123-K125 PolarHBondContact O-N 3.26Å; K125-L129 PolarHBondContact O-N 3.18Å
126	S	80.1	Confident	67.1	Low	35 Å²	35	86.4 Å²	86.4	25%	0.245	47%	0.466	C	S	.	.	H	α-helix	trans	-65.5	-40.1	176.5	80.4	0	0	0	0	112.3	K4 E122 F123 M124 L129 W130	K4-S126 PolarHBondContact NZ-OG 2.89Å; E122-S126 WeakPolarHBondContact O-CB 3.46Å; E122-S126 PolarHBondContact O-N 2.92Å; F123-S126 CarbonylContact O-C 3.51Å; F123-S126 WeakPolarHBondContact O-CA 3.34Å; F123-S126 WeakPolarHBondContact O-CB 3.42Å; F123-S126 PolarHBondContact O-N 3.03Å; F123-S126 PolarHBondContact O-OG 2.72Å; M124-S126 VanDerWaalsContact C-N 3.3Å; M124-S126 PolarHBondContact O-N 3.06Å; S126-L129 PolarHBondContact O-N 3.16Å; S126-W130 VanDerWaalsContact O-CD1 3.3Å; S126-W130 PolarHBondContact O-N 3.22Å
127	S	72.3	Confident	64.2	Low	39 Å²	39	93.8 Å²	93.8	27%	0.273	51%	0.505	S	S	.	.	H	α-helix	trans	-73.9	-32.9	-175.3	-62.4	0	0	0	0	112.5	F123 M124 L129 W130	F123-S127 WeakPolarHBondContact CD1-OG 3.48Å; F123-S127 WeakPolarHBondContact CE1-OG 3.45Å; F123-S127 PolarHBondContact O-N 3.16Å; F123-S127 PolarHBondContact O-OG 3.37Å; M124-S127 PolarHBondContact O-N 3.37Å; M124-S127 VanDerWaalsContact O-N 3.16Å; S127-L129 VanDerWaalsContact C-N 3.31Å; S127-W130 PolarHBondContact O-N 3.28Å
128	I	60.3	Low	61.3	Low	127 Å²	127	99 Å²	99	65%	0.651	54%	0.54	S	S	*	.	H	α-helix	trans	-63	-39.6	170.5	-65.5	163.5	0	0	0	110.7	M124 W130 S131	M124-I128 WeakPolarHBondContact O-CG1 3.37Å; M124-I128 PolarHBondContact O-N 3.41Å; I128-W130 PolarHBondContact O-N 3.46Å; I128-S131 PolarHBondContact O-N 3.21Å
129	L	52.3	Low	58.4	Low	152 Å²	152	101.9 Å²	101.9	80%	0.796	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.9	-11.6	-178.5	-152.4	75.5	0	0	0	113.9	K125 S126 S127	K125-L129 PolarHBondContact O-N 3.18Å; S126-L129 PolarHBondContact O-N 3.16Å; S127-L129 VanDerWaalsContact C-N 3.31Å
130	W	37.2	Very low	55.6	Low	221 Å²	221	105.4 Å²	105.4	84%	0.837	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92	-0.5	175.6	-88	71	0	0	0	113.9	S126 S127 I128 P132	S126-W130 VanDerWaalsContact O-CD1 3.3Å; S126-W130 PolarHBondContact O-N 3.22Å; S127-W130 PolarHBondContact O-N 3.28Å; I128-W130 PolarHBondContact O-N 3.46Å; W130-P132 VanDerWaalsContact O-CD 3.31Å; W130-P132 WeakPolarHBondContact O-CD 3.06Å
131	S	36.3	Very low	52.7	Low	77 Å²	77	111 Å²	111	54%	0.538	63%	0.626	S	S	.	*	S	Bend	trans	-75.1	115.8	165.6	-67.1	0	0	0	0	109.6	I128 T133	I128-S131 PolarHBondContact O-N 3.21Å; S131-T133 PolarHBondContact O-N 2.93Å
132	P	38.9	Very low	49.8	Very low	125 Å²	125	112.9 Å²	112.9	81%	0.812	64%	0.639	S	S	*	*			trans	-73.3	94.6	175.2	30.2	-33.2	0	0	0	109.4	W130 N134	W130-P132 VanDerWaalsContact O-CD 3.31Å; W130-P132 WeakPolarHBondContact O-CD 3.06Å; P132-N134 PolarHBondContact O-N 3.29Å
133	T	33.5	Very low	47	Very low	119 Å²	119	114 Å²	114	73%	0.73	65%	0.649	S	S	*	*			trans	-61.8	104.6	173.5	-57.4	0	0	0	0	109.5	S131 N135	S131-T133 PolarHBondContact O-N 2.93Å; T133-N135 PolarHBondContact O-N 2.88Å
134	N	34.8	Very low	44.5	Very low	136 Å²	136	122.3 Å²	122.3	73%	0.727	69%	0.69	S	S	*	*			trans	-58.5	92.4	171.2	172.7	29.9	0	0	0	110	P132 N136	P132-N134 PolarHBondContact O-N 3.29Å; N134-N136 PolarHBondContact O-N 3.04Å
135	N	28.9	Very low	41.7	Very low	138 Å²	138	123.9 Å²	123.9	74%	0.738	71%	0.712	S	S	*	*			trans	-104.6	59.8	-169.7	-157.7	42.6	0	0	0	111.8	T133	T133-N135 PolarHBondContact O-N 2.88Å
136	N	34.2	Very low	39.1	Very low	130 Å²	130	123 Å²	123	70%	0.695	72%	0.721	S	S	*	*			trans	-77.9	142.6	169.3	-92	-21.5	0	0	0	110.9	N134	N134-N136 PolarHBondContact O-N 3.04Å
137	N	30.8	Very low	36.7	Very low	159 Å²	159	127.7 Å²	127.7	85%	0.85	74%	0.743	S	S	*	*			trans	68.6	78	170.1	-60.2	-12.5	0	0	0	118.1
138	S	31.2	Very low	34.6	Very low	120 Å²	120	134.8 Å²	134.8	84%	0.839	77%	0.769	S	S	*	*				-138.9	123.4	126.7	66.2	0	0	0	0	110.7
139	S	31.6	Very low	32.9	Very low	118 Å²	118	132.2 Å²	132.2	83%	0.825	77%	0.766	S	S	*	*			trans	-80.4	133.9	-163.9	52.7	0	0	0	0	115
140	S	30.3	Very low	31.7	Very low	111 Å²	111	133.7 Å²	133.7	78%	0.776	77%	0.769	S	S	*	*			trans	-173.1	130.6	135.4	51.3	0	0	0	0	112.8
141	S	30	Very low	31.1	Very low	119 Å²	119	130.6 Å²	130.6	83%	0.832	76%	0.764	S	S	*	*			trans	40.4	133.7	146.6	-56.6	0	0	0	0	121.4
142	S	31.2	Very low	30.7	Very low	94 Å²	94	130.8 Å²	130.8	66%	0.657	77%	0.77	S	S	*	*			cis	-174.4	150.4	3.3	49.7	0	0	0	0	114
143	N	31.3	Very low	30.1	Very low	146 Å²	146	129.1 Å²	129.1	78%	0.781	77%	0.767	S	S	*	*			trans	78.8	132.1	147.5	-63.3	-12.8	0	0	0	122.7
144	M	34	Very low	30.3	Very low	179 Å²	179	128.9 Å²	128.9	88%	0.882	77%	0.767	S	S	*	*			trans	64.3	114.7	163.6	-59.1	-175.8	-179.6	0	0	116.7
145	A	30.7	Very low	29.9	Very low	93 Å²	93	130.8 Å²	130.8	77%	0.769	77%	0.772	S	S	*	*				66.6	130.8	51.1	0	0	0	0	0	111.9
146	V	31.8	Very low	29.8	Very low	145 Å²	145	129.8 Å²	129.8	88%	0.879	78%	0.776	S	S	*	*			cis	-142.3	172.3	40.9	165.3	0	0	0	0	112.7
147	D	29	Very low	29.5	Very low	133 Å²	133	127.9 Å²	127.9	71%	0.711	78%	0.778	S	S	*	*			trans	-60.4	161.7	-174.7	-98.5	-82.9	0	0	0	120.5
148	K	27.3	Very low	29.4	Very low	188 Å²	188	125.6 Å²	125.6	82%	0.817	77%	0.774	S	S	*	*			trans	1.7	158.8	137.1	-74.3	-179.8	171.1	174.9	0	120.4
149	A	25.9	Very low	29.4	Very low	73 Å²	73	125.2 Å²	125.2	60%	0.603	77%	0.772	S	S	*	*			cis	-178.1	170.6	-12	0	0	0	0	0	109.9
150	H	26.8	Very low	29.2	Very low	184 Å²	184	127.6 Å²	127.6	85%	0.852	77%	0.77	S	S	*	*			trans	62.5	160.1	153	-85.2	-35.8	0	0	0	117.8
151	E	24.8	Very low	29.1	Very low	155 Å²	155	127.4 Å²	127.4	72%	0.724	77%	0.767	S	S	*	*			cis	-160.5	167.9	-21.8	-132.4	-85.2	83	0	0	107.5
152	A	27.1	Very low	28.9	Very low	81 Å²	81	126 Å²	126	67%	0.669	76%	0.763	S	S	*	*			trans	63.6	146.6	159.5	0	0	0	0	0	120.5
153	A	27.2	Very low	28.8	Very low	91 Å²	91	129.8 Å²	129.8	75%	0.752	78%	0.775	S	S	*	*			trans	-96.1	176.6	163.2	0	0	0	0	0	110.1
154	P	38.3	Very low	28.7	Very low	113 Å²	113	128.9 Å²	128.9	73%	0.734	78%	0.775	S	S	*	*				-151.8	158.9	82.7	37.7	-18	0	0	0	118.5
155	E	26	Very low	29.1	Very low	176 Å²	176	125.3 Å²	125.3	82%	0.822	77%	0.765	S	S	*	*			trans	44.1	122.8	140.8	-60.3	-168.2	114.6	0	0	125.1
156	S	26.1	Very low	29.1	Very low	118 Å²	118	128.2 Å²	128.2	83%	0.825	77%	0.767	S	S	*	*			trans	81.5	125.6	131.1	76.2	0	0	0	0	122.3
157	A	29	Very low	28.8	Very low	90 Å²	90	128.5 Å²	128.5	74%	0.744	76%	0.763	S	S	*	*				170.8	150.5	113.5	0	0	0	0	0	113.5
158	S	27.4	Very low	28.8	Very low	110 Å²	110	125.6 Å²	125.6	77%	0.769	77%	0.765	S	S	*	*			trans	63.2	116.5	165.8	66.5	0	0	0	0	117.9
159	S	30.9	Very low	29	Very low	112 Å²	112	121.8 Å²	121.8	78%	0.783	76%	0.762	S	S	*	*				81.3	143	80.2	93.1	0	0	0	0	113.5
160	H	28.7	Very low	29.3	Very low	168 Å²	168	124.9 Å²	124.9	78%	0.778	77%	0.773	S	S	*	*			cis	-155.6	-180	1.4	-156.1	-101.9	0	0	0	110.5
161	C	28.1	Very low	29.6	Very low	108 Å²	108	121.4 Å²	121.4	73%	0.73	77%	0.769	S	S	*	*			trans	69.5	111.7	173.6	-54.4	0	0	0	0	115.1
162	A	26.5	Very low	30.7	Very low	90 Å²	90	119.3 Å²	119.3	74%	0.744	77%	0.769	S	S	*	*			cis	77.1	98.3	47	0	0	0	0	0	114.7
163	L	29	Very low	30.7	Very low	173 Å²	173	121.8 Å²	121.8	91%	0.906	78%	0.775	S	S	*	*				-169.1	137.3	103.5	-95	171.1	0	0	0	111.7
164	T	28	Very low	30.9	Very low	127 Å²	127	122.6 Å²	122.6	78%	0.779	78%	0.776	S	S	*	*			trans	-88.8	-179.8	163.4	49.3	0	0	0	0	108.4
165	P	42	Very low	30.8	Very low	103 Å²	103	122.1 Å²	122.1	67%	0.669	78%	0.775	S	S	*	*			cis	-151.1	-179.9	18.6	47.1	-27.7	0	0	0	119.2
166	L	31	Very low	30.9	Very low	155 Å²	155	121 Å²	121	81%	0.812	78%	0.775	S	S	*	*			trans	60.6	159	154.8	-94.2	79	0	0	0	117.7
167	D	26.1	Very low	31	Very low	151 Å²	151	121.9 Å²	121.9	81%	0.807	78%	0.779	S	S	*	*			cis	-158.2	175.8	-31	-147.2	-45.2	0	0	0	106.7
168	G	28.9	Very low	31.1	Very low	72 Å²	72	122.9 Å²	122.9	74%	0.742	78%	0.781	S	S	*	*			trans	128.7	121.1	167.2	0	0	0	0	0	113.7
169	S	32.1	Very low	31.3	Very low	107 Å²	107	123.8 Å²	123.8	75%	0.748	78%	0.782	S	S	*	*			trans	-111.3	-168.2	-178.2	61	0	0	0	0	112.1
170	V	31.3	Very low	31.3	Very low	139 Å²	139	126 Å²	126	84%	0.842	78%	0.782	S	S	*	*			trans	77.9	122.4	172.5	-50.2	0	0	0	0	120
171	S	32.7	Very low	31.5	Very low	110 Å²	110	125.6 Å²	125.6	77%	0.769	78%	0.78	S	S	*	*			trans	-66.6	-179.5	159.3	-34.6	0	0	0	0	111.1
172	P	48.3	Very low	31.7	Very low	112 Å²	112	131 Å²	131	73%	0.727	79%	0.785	S	S	*	*			cis	-147.3	-169.7	16.9	44	-22.8	0	0	0	118
173	V	28.3	Very low	31.8	Very low	132 Å²	132	134 Å²	134	80%	0.8	79%	0.789	S	S	*	*			trans	74.8	157.8	146.6	92.5	0	0	0	0	121.3
174	S	29.4	Very low	31.9	Very low	108 Å²	108	131.7 Å²	131.7	76%	0.755	78%	0.781	S	S	*	*			trans	86.3	117.7	-175.8	-39	0	0	0	0	113.2
175	S	37.3	Very low	32.1	Very low	104 Å²	104	131.4 Å²	131.4	73%	0.727	78%	0.781	S	S	*	*			cis	99	155	36.7	-160.2	0	0	0	0	112.7
176	D	27.4	Very low	31.6	Very low	152 Å²	152	134.5 Å²	134.5	81%	0.813	79%	0.791	S	S	*	*			trans	74.9	94.2	168.3	-53.1	-4.1	0	0	0	116.2
177	C	28.5	Very low	31.3	Very low	136 Å²	136	132.9 Å²	132.9	92%	0.919	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-98.9	127.9	166.5	-162.8	0	0	0	0	109.7
178	S	31.5	Very low	31.4	Very low	111 Å²	111	137.4 Å²	137.4	78%	0.776	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-69.9	144.3	-161.9	-52.8	0	0	0	0	115.7
179	V	31.4	Very low	31.5	Very low	130 Å²	130	142.2 Å²	142.2	79%	0.788	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-61.8	134.3	162.3	176.1	0	0	0	0	109.8	E181	V179-E181 HydrophobicContact CG1-CG 4.29Å
180	M	31.8	Very low	31.2	Very low	159 Å²	159	141.2 Å²	141.2	78%	0.783	79%	0.793	S	S	*	*			trans	-131	99.3	167.6	-174.3	65.5	73.5	0	0	109.2
181	E	32	Very low	31.3	Very low	158 Å²	158	146.2 Å²	146.2	74%	0.738	80%	0.797	S	S	*	*			trans	-63.5	149.5	175.1	-60.6	-175.4	118	0	0	111.4	V179	V179-E181 HydrophobicContact CG1-CG 4.29Å
182	R	32.1	Very low	31.4	Very low	223 Å²	223	152.3 Å²	152.3	84%	0.842	80%	0.802	S	S	*	*			trans	-128.9	111	163.4	-61.3	-163.1	-161.7	94.7	-0.4	110
183	N	28.5	Very low	30.6	Very low	153 Å²	153	156.5 Å²	156.5	82%	0.818	81%	0.809	S	S	*	*			trans	-66.3	138.8	177.5	-83.4	-75.5	0	0	0	111.7
184	V	31.3	Very low	30.6	Very low	124 Å²	124	162.1 Å²	162.1	75%	0.752	82%	0.816	S	S	*	*			trans	-107.2	130.1	171.3	179.1	0	0	0	0	108.3	I186	V184-I186 PolarHBondContact O-N 3Å
185	P	32.8	Very low	30.6	Very low	120 Å²	120	165.9 Å²	165.9	78%	0.779	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-73.8	120.7	-172.1	28.3	-34.7	0	0	0	112.5
186	I	30.3	Very low	30.1	Very low	169 Å²	169	166 Å²	166	87%	0.867	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-80.6	119.7	174.8	-63.8	175.6	0	0	0	110	V184	V184-I186 PolarHBondContact O-N 3Å
187	C	25.6	Very low	30	Very low	121 Å²	121	168.4 Å²	168.4	82%	0.818	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-69.7	149.7	174.9	-83.4	0	0	0	0	113.1	E189	C187-E189 PolarHBondContact O-N 2.95Å
188	R	28.9	Very low	30.1	Very low	246 Å²	246	168.1 Å²	168.1	93%	0.928	82%	0.817	S	S	*	*			trans	-91.2	95.5	-162.9	-171.2	178.9	-174.3	172.9	2.2	112.6
189	E	29.8	Very low	29.8	Very low	173 Å²	173	169.3 Å²	169.3	81%	0.808	82%	0.82	S	S	*	*			trans	-60.2	142.4	-177.8	-173.4	49.7	-108.9	0	0	113.9	C187	C187-E189 PolarHBondContact O-N 2.95Å
190	S	26.9	Very low	29.7	Very low	85 Å²	85	171.4 Å²	171.4	59%	0.594	82%	0.823	S	S	*	*			trans	-100.2	97.7	-164.7	-162.6	0	0	0	0	113.2	R192	S190-R192 PolarHBondContact O-N 3.14Å
191	R	32.3	Very low	29.5	Very low	245 Å²	245	168.8 Å²	168.8	93%	0.925	83%	0.827	S	S	*	*			trans	-63.7	106.1	174.3	-59.9	-171.8	-164.8	-153.1	6	111.8
192	R	34.3	Very low	29.2	Very low	237 Å²	237	166.3 Å²	166.3	89%	0.894	83%	0.827	S	S	*	*			trans	-97.9	106.3	159.1	-69.2	-164.6	178.8	-150.1	-0.2	110.7	S190	S190-R192 PolarHBondContact O-N 3.14Å
193	K	31.6	Very low	30.2	Very low	201 Å²	201	161 Å²	161	87%	0.874	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-52.5	138.2	174.9	-77.2	177	170.9	176.2	0	111.3
194	R	29.7	Very low	30	Very low	249 Å²	249	162.3 Å²	162.3	94%	0.94	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-88.5	130.8	148.6	-168	174.5	-109.1	-174.2	-3.8	107.6
195	K	28.5	Very low	29.7	Very low	187 Å²	187	161.4 Å²	161.4	81%	0.813	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-97.8	116.8	-175.7	-142.3	177.6	-176.6	-174.6	0	107.9
196	S	26.4	Very low	30.4	Very low	106 Å²	106	160.5 Å²	160.5	74%	0.741	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-83.2	143.2	164.4	39.1	0	0	0	0	109.3
197	F	26.5	Very low	30.4	Very low	203 Å²	203	159.3 Å²	159.3	89%	0.89	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-80	144.2	167.4	-90	-111.1	0	0	0	109.4
198	V	29.2	Very low	30.4	Very low	131 Å²	131	161.7 Å²	161.7	79%	0.794	81%	0.807	S	S	*	*			trans	-130.6	128.7	163.6	176.5	0	0	0	0	106.2
199	T	26.5	Very low	30.2	Very low	135 Å²	135	155.2 Å²	155.2	83%	0.828	80%	0.798	S	S	*	*			trans	-78.1	141.6	178.6	-56.4	0	0	0	0	110
200	M	28.6	Very low	30.1	Very low	175 Å²	175	152.3 Å²	152.3	86%	0.862	79%	0.792	S	S	*	*			trans	-74.3	138.6	-178.3	-67	-81.9	-77.2	0	0	112.2
201	A	27.7	Very low	30.2	Very low	103 Å²	103	153.6 Å²	153.6	85%	0.851	80%	0.797	S	S	*	*			trans	-145.8	143.7	158	0	0	0	0	0	109
202	S	25.9	Very low	30.3	Very low	106 Å²	106	149 Å²	149	74%	0.741	79%	0.786	S	S	*	*			trans	-172.7	157.7	-170.9	-175.1	0	0	0	0	107.5
203	P	52.2	Low	30.2	Very low	113 Å²	113	145.6 Å²	145.6	73%	0.734	78%	0.782	S	S	*	*			cis	-109.9	-146.6	5.4	22.5	3.2	0	0	0	110.5
204	E	25.5	Very low	30.1	Very low	180 Å²	180	142 Å²	142	84%	0.841	78%	0.777	S	S	*	*			cis	-138.2	-136.8	12.3	-67.4	-171.1	79.1	0	0	113.5
205	S	25.7	Very low	30	Very low	104 Å²	104	135.9 Å²	135.9	73%	0.727	77%	0.767	S	S	*	*			trans	-166.5	-169.1	-161.9	73	0	0	0	0	110.8
206	P	46.2	Very low	30	Very low	101 Å²	101	133.5 Å²	133.5	66%	0.656	77%	0.768	S	S	*	*			cis	-129.7	-153.9	-35.3	30.3	-8.2	0	0	0	112.1
207	L	29.8	Very low	30	Very low	144 Å²	144	133.8 Å²	133.8	75%	0.754	77%	0.77	S	S	*	*			trans	86.1	146.8	165.7	-48.7	-177.7	0	0	0	116.4
208	K	27.3	Very low	31.4	Very low	172 Å²	172	128.9 Å²	128.9	75%	0.748	76%	0.759	S	S	*	*			cis	-159.8	154.3	2.4	-130.4	169.5	-176.2	177.1	0	111.7
209	C	22.6	Very low	31.4	Very low	110 Å²	110	130.9 Å²	130.9	74%	0.743	76%	0.76	S	S	*	*			trans	35.1	156.1	144.4	-69.8	0	0	0	0	124.2
210	T	27.9	Very low	31.7	Very low	112 Å²	112	131.7 Å²	131.7	69%	0.687	76%	0.757	S	S	*	*			cis	178.7	148.5	-15	-90.4	0	0	0	0	109.8
211	T	30.5	Very low	32.3	Very low	112 Å²	112	129.2 Å²	129.2	69%	0.687	75%	0.754	S	S	*	*			trans	69.1	147.9	159.8	-79	0	0	0	0	118.3
212	Q	33.6	Very low	32.4	Very low	148 Å²	148	131.3 Å²	131.3	69%	0.692	75%	0.751	S	S	*	*			cis	-155.2	149.7	-18.9	-102.9	169.7	1.2	0	0	107.3
213	M	32.3	Very low	33.2	Very low	165 Å²	165	132 Å²	132	81%	0.813	75%	0.753	S	S	*	*				45.1	136.2	99.7	-43	-179.2	-174.7	0	0	115
214	V	30.4	Very low	32.2	Very low	127 Å²	127	131.5 Å²	131.5	77%	0.77	75%	0.752	S	S	*	*				-160.3	169.6	51.2	159.6	0	0	0	0	112.1
215	T	27.7	Very low	33.2	Very low	120 Å²	120	128.6 Å²	128.6	74%	0.736	75%	0.749	S	S	*	*			trans	-37	173.2	175.9	57.9	0	0	0	0	119.8
216	T	27.8	Very low	33.3	Very low	137 Å²	137	129.3 Å²	129.3	84%	0.84	75%	0.754	S	S	*	*			cis	-153.4	176.5	36.2	31.9	0	0	0	0	115.5
217	S	26.7	Very low	32.4	Very low	111 Å²	111	134.1 Å²	134.1	78%	0.776	77%	0.765	S	S	*	*			trans	-113.6	-168.8	170.9	-149.6	0	0	0	0	109.5
218	P	54.7	Low	32.3	Very low	101 Å²	101	133 Å²	133	66%	0.656	77%	0.769	S	S	*	*			cis	-141.9	-160.8	-3.5	34.1	-8.1	0	0	0	116.1
219	Q	29.2	Very low	32.3	Very low	173 Å²	173	133 Å²	133	81%	0.808	78%	0.777	S	S	*	*			trans	109.5	151.8	155.3	-59.7	-64.7	5.3	0	0	121.1
220	I	33.7	Very low	32.5	Very low	151 Å²	151	131 Å²	131	77%	0.774	78%	0.775	S	S	*	*			trans	-143.2	154	179.9	-31	176.4	0	0	0	108.8
221	P	41.1	Very low	33	Very low	124 Å²	124	132 Å²	132	81%	0.805	78%	0.783	S	S	*	*				-150	176.5	112.3	37.2	-19	0	0	0	116.7
222	N	30.3	Very low	32.8	Very low	147 Å²	147	130.9 Å²	130.9	79%	0.786	79%	0.786	S	S	*	*			trans	-79.8	178	175.6	-118.7	-11.1	0	0	0	112.4
223	P	42.5	Very low	32.8	Very low	121 Å²	121	132.2 Å²	132.2	79%	0.786	79%	0.792	S	S	*	*			cis	-148	-173.4	35.3	43.4	-21.5	0	0	0	118.9
224	S	31.4	Very low	32.7	Very low	102 Å²	102	130 Å²	130	71%	0.713	79%	0.79	S	S	*	*			trans	-87.4	173	174.9	-31.6	0	0	0	0	113.9
225	P	45.9	Very low	32.7	Very low	118 Å²	118	131.4 Å²	131.4	77%	0.766	79%	0.792	S	S	*	*				-160.3	-166.4	77.1	44.5	-22.8	0	0	0	118.2
226	S	27.7	Very low	32.7	Very low	119 Å²	119	134.4 Å²	134.4	83%	0.832	80%	0.797	S	S	*	*			trans	107.9	160.1	154.9	77.5	0	0	0	0	120.4
227	F	28.1	Very low	32.8	Very low	203 Å²	203	133 Å²	133	89%	0.89	79%	0.793	S	S	*	*			trans	-126.7	160.7	-152.5	-88.3	-105.7	0	0	0	115
228	S	27.3	Very low	33.2	Very low	121 Å²	121	133.6 Å²	133.6	85%	0.846	80%	0.797	S	S	*	*			trans	-163.3	161.1	148.6	-67.2	0	0	0	0	111.5
229	D	26.2	Very low	32.2	Very low	170 Å²	170	135 Å²	135	91%	0.909	80%	0.799	S	S	*	*			trans	-86	172.5	-167.2	-83.4	-80.7	0	0	0	118.1
230	G	28	Very low	32.2	Very low	68 Å²	68	131.6 Å²	131.6	70%	0.701	80%	0.8	S	S	*	*			trans	-86.5	-148.8	179.9	0	0	0	0	0	115.8
231	P	38.1	Very low	32.1	Very low	133 Å²	133	131.6 Å²	131.6	86%	0.864	79%	0.794	S	S	*	*			cis	-140.3	-163.2	40.6	42.8	-24	0	0	0	116.2
232	A	27.3	Very low	31.9	Very low	90 Å²	90	128.8 Å²	128.8	74%	0.744	78%	0.776	S	S	*	*			trans	85.2	77.7	160.8	0	0	0	0	0	120.9
233	Q	32	Very low	31.9	Very low	176 Å²	176	130.4 Å²	130.4	82%	0.822	77%	0.772	S	S	*	*			trans	21.2	123	132.4	-65.7	-71	-16.3	0	0	121.1
234	P	30.8	Very low	31.8	Very low	117 Å²	117	128.8 Å²	128.8	76%	0.76	76%	0.759	S	S	*	*			trans	-99.3	144.1	141.1	35.7	-28.6	0	0	0	111.6
235	I	30.1	Very low	32.1	Very low	157 Å²	157	127.8 Å²	127.8	81%	0.805	74%	0.742	S	S	*	*			trans	-90.4	119	-177.8	-59.9	167.8	0	0	0	110.9
236	E	28.8	Very low	31.5	Very low	183 Å²	183	123.9 Å²	123.9	86%	0.855	72%	0.717	S	S	*	*			trans	-116	135.4	157.6	-73.8	-161	144.8	0	0	110.4
237	S	28.4	Very low	32.2	Very low	109 Å²	109	122.8 Å²	122.8	76%	0.762	70%	0.697	S	S	*	*			trans	-147.6	61.1	173.1	-84.6	0	0	0	0	111.7
238	S	36.8	Very low	32.7	Very low	122 Å²	122	116.7 Å²	116.7	85%	0.853	69%	0.692	S	S	*	*			trans	-99	75.7	172.1	-70.1	0	0	0	0	110.9
239	L	32.6	Very low	33.1	Very low	131 Å²	131	117.4 Å²	117.4	69%	0.686	69%	0.685	S	S	*	*			trans	-124.9	62.7	-177.8	-72.1	179.7	0	0	0	113.5	F241	L239-F241 HydrophobicContact CB-CD2 4.26Å; L239-F241 HydrophobicContact CB-CE2 3.8Å; L239-F241 HydrophobicContact CB-CZ 4.46Å; L239-F241 HydrophobicContact CD1-CE2 4.12Å; L239-F241 HydrophobicContact CD1-CZ 4.32Å; L239-F241 HydrophobicContact CD2-CE2 4.16Å; L239-F241 HydrophobicContact CD2-CZ 3.94Å; L239-F241 HydrophobicContact CG-CE2 4.25Å; L239-F241 HydrophobicContact CG-CZ 4.48Å; L239-F241 PolarHBondContact O-N 3.41Å; L239-F241 VanDerWaalsContact O-N 3.16Å
240	A	30	Very low	33.1	Very low	101 Å²	101	116.4 Å²	116.4	84%	0.835	68%	0.68	S	S	*	*			trans	-78.4	88.4	165.7	0	0	0	0	0	110.5	P242	A240-P242 WeakPolarHBondContact O-CD 3.49Å
241	F	31	Very low	34.1	Very low	151 Å²	151	122.8 Å²	122.8	66%	0.662	68%	0.682	S	S	*	*			trans	-71.2	124.5	177.4	-72.7	-80.1	0	0	0	111.8	L239	L239-F241 HydrophobicContact CB-CD2 4.26Å; L239-F241 HydrophobicContact CB-CE2 3.8Å; L239-F241 HydrophobicContact CB-CZ 4.46Å; L239-F241 HydrophobicContact CD1-CE2 4.12Å; L239-F241 HydrophobicContact CD1-CZ 4.32Å; L239-F241 HydrophobicContact CD2-CE2 4.16Å; L239-F241 HydrophobicContact CD2-CZ 3.94Å; L239-F241 HydrophobicContact CG-CE2 4.25Å; L239-F241 HydrophobicContact CG-CZ 4.48Å; L239-F241 PolarHBondContact O-N 3.41Å; L239-F241 VanDerWaalsContact O-N 3.16Å
242	P	36.8	Very low	33.8	Very low	65 Å²	65	124.5 Å²	124.5	42%	0.422	67%	0.672	S	S	.	*			trans	-79.5	124.2	173.7	31.3	-31.7	0	0	0	110.4	A240 T244	A240-P242 WeakPolarHBondContact O-CD 3.49Å; P242-T244 PolarHBondContact O-N 3.17Å
243	W	29.3	Very low	34	Very low	182 Å²	182	128 Å²	128	69%	0.689	67%	0.67	S	S	*	*			trans	-77.5	109.8	-179.8	-70.2	55.5	0	0	0	110.9	M17 F245	M17-W243 HydrophobicContact CE-CH2 3.48Å; M17-W243 VanDerWaalsContact CE-CH2 3.48Å; M17-W243 HydrophobicContact CE-CZ2 4.36Å; M17-W243 HydrophobicContact CE-CZ3 3.83Å; M17-W243 HydrophobicContact SD-CH2 3.29Å; M17-W243 WeakPolarHBondContact SD-CH2 3.39Å; M17-W243 HydrophobicContact SD-CZ3 3.42Å; M17-W243 WeakPolarHBondContact SD-CZ3 3.44Å; W243-F245 HydrophobicContact CE3-CE2 4.4Å
244	T	41	Very low	33.8	Very low	86 Å²	86	127 Å²	127	53%	0.528	67%	0.666	S	S	.	*			trans	-95.9	97	169.2	52	0	0	0	0	109.3	P242	P242-T244 PolarHBondContact O-N 3.17Å
245	F	37.5	Very low	33.5	Very low	82 Å²	82	126.4 Å²	126.4	36%	0.36	66%	0.664	S	S	.	*			trans	-57.2	157.8	163.1	-88.3	-102.4	0	0	0	110.1	C51 W243 F247	C51-F245 HydrophobicContact CB-CE1 4.29Å; C51-F245 HydrophobicContact CB-CZ 4.3Å; W243-F245 HydrophobicContact CE3-CE2 4.4Å; F245-F247 HydrophobicContact CB-CD2 4.22Å; F245-F247 PolarHBondContact O-N 3.4Å
246	P	34.4	Very low	33.3	Very low	36 Å²	36	124.6 Å²	124.6	23%	0.234	66%	0.656	C	S	.	*	S	Bend	trans	-64.1	-10.4	-177.5	30.6	-40.7	0	0	0	114.3	G248	P246-G248 PolarHBondContact O-N 3.01Å
247	F	41.4	Very low	33.1	Very low	95 Å²	95	124.4 Å²	124.4	42%	0.417	65%	0.652	S	S	.	*	S	Bend	trans	-74.3	88.6	167.6	-48.4	-60	0	0	0	109	H8 F245 I249	H8-F247 AromaticContact CE1-CE1 3.99Å; F245-F247 HydrophobicContact CB-CD2 4.22Å; F245-F247 PolarHBondContact O-N 3.4Å; F247-I249 WeakPolarHBondContact O-CD1 3.45Å; F247-I249 PolarHBondContact O-N 3.21Å
248	G	38.3	Very low	33.1	Very low	75 Å²	75	124.2 Å²	124.2	77%	0.773	65%	0.651	S	S	*	*			trans	-61.4	100.9	-168.2	0	0	0	0	0	115	P246	P246-G248 PolarHBondContact O-N 3.01Å
249	I	35.8	Very low	32.5	Very low	136 Å²	136	128.4 Å²	128.4	70%	0.697	65%	0.654	S	S	*	*			trans	-118.7	101.6	156.7	-65.2	79.7	0	0	0	106.9	F247	F247-I249 WeakPolarHBondContact O-CD1 3.45Å; F247-I249 PolarHBondContact O-N 3.21Å
250	D	27.9	Very low	32.2	Very low	150 Å²	150	129.4 Å²	129.4	80%	0.802	66%	0.659	S	S	*	*			trans	-71.7	152.6	-178.2	-152.6	-17.7	0	0	0	112
251	R	47.6	Very low	31.8	Very low	201 Å²	201	130.1 Å²	130.1	76%	0.758	65%	0.653	S	S	*	*			trans	-151	149.2	-175.7	-117.8	-173.5	179.4	-149.4	0.7	112.8
252	R	32.1	Very low	31.5	Very low	170 Å²	170	131.4 Å²	131.4	64%	0.642	66%	0.661	S	S	*	*			trans	86.8	155.3	-171.8	-49.9	164.1	-69.7	-169.3	1.4	111.2
253	F	31.6	Very low	30.9	Very low	162 Å²	162	133.2 Å²	133.2	71%	0.711	68%	0.675	S	S	*	*			cis	-134.7	163.2	16.4	-105	-79.8	0	0	0	114.6
254	H	27	Very low	31.1	Very low	157 Å²	157	129.6 Å²	129.6	73%	0.727	68%	0.675	S	S	*	*			trans	10.7	147.3	154.4	-84.7	-128.4	0	0	0	121.1
255	S	25.5	Very low	30.4	Very low	104 Å²	104	136.3 Å²	136.3	73%	0.727	69%	0.691	S	S	*	*				-168.5	133.2	62.9	-177.4	0	0	0	0	115.8
256	D	25	Very low	29.7	Very low	119 Å²	119	137.6 Å²	137.6	64%	0.636	71%	0.709	S	S	*	*			trans	8.6	123.6	134.5	-128.5	-51.5	0	0	0	120.4
257	K	26	Very low	29.4	Very low	179 Å²	179	143.3 Å²	143.3	78%	0.778	74%	0.737	S	S	*	*				174.1	134.3	99.3	-90.4	-161.7	-180	-170	0	116.4
258	S	27.7	Very low	28.7	Very low	104 Å²	104	147.5 Å²	147.5	73%	0.727	76%	0.757	S	S	*	*			trans	23.2	130.9	148.9	65.3	0	0	0	0	122.8
259	K	24.8	Very low	28.3	Very low	210 Å²	210	148.2 Å²	148.2	91%	0.913	76%	0.756	S	S	*	*				-154.5	156.2	117.4	-138	-179.2	180	-173.8	0	113.8
260	L	24.6	Very low	27.9	Very low	152 Å²	152	145.7 Å²	145.7	80%	0.796	76%	0.763	S	S	*	*			trans	-95.3	170.4	176.9	-120.6	167.9	0	0	0	111.2
261	T	22.6	Very low	27.9	Very low	117 Å²	117	143.1 Å²	143.1	72%	0.718	76%	0.763	S	S	*	*			trans	74.7	130.4	171.4	-48.2	0	0	0	0	112.4
262	E	23.9	Very low	27.8	Very low	178 Å²	178	140 Å²	140	83%	0.832	77%	0.769	S	S	*	*				-156.4	168.2	51.6	-154.1	156.4	131.9	0	0	113.9
263	S	24.4	Very low	27.6	Very low	103 Å²	103	134.6 Å²	134.6	72%	0.72	77%	0.766	S	S	*	*			trans	-139.5	144.2	170.1	174.3	0	0	0	0	110.1
264	P	34.8	Very low	27.6	Very low	105 Å²	105	134 Å²	134	68%	0.682	78%	0.776	S	S	*	*			trans	-140.2	126.1	140.6	32.6	-16.6	0	0	0	115.8
265	R	25.6	Very low	27.7	Very low	228 Å²	228	131.2 Å²	131.2	86%	0.86	77%	0.774	S	S	*	*				40.8	133.8	129	-54.8	-178.4	-178	120.9	-0.8	121.9
266	C	23	Very low	27.9	Very low	109 Å²	109	136 Å²	136	74%	0.736	79%	0.785	S	S	*	*				-170.2	136.1	110.3	-95.1	0	0	0	0	108.6
267	L	27	Very low	28.1	Very low	156 Å²	156	133.9 Å²	133.9	82%	0.817	79%	0.792	S	S	*	*				59.9	126.6	79.2	-68.6	170.5	0	0	0	112.6
268	E	27.1	Very low	28.2	Very low	182 Å²	182	132.2 Å²	132.2	85%	0.85	80%	0.796	S	S	*	*			cis	-130	-167.3	4.5	-61.5	-172.1	69.3	0	0	110.4
269	A	30.7	Very low	28.4	Very low	90 Å²	90	134 Å²	134	74%	0.744	80%	0.803	S	S	*	*			cis	-159.6	170.7	10.8	0	0	0	0	0	112.4
270	G	27.4	Very low	28.5	Very low	83 Å²	83	127.9 Å²	127.9	86%	0.856	79%	0.791	S	S	*	*			trans	89.6	105.3	150.1	0	0	0	0	0	119
271	A	28.4	Very low	28.7	Very low	97 Å²	97	131.8 Å²	131.8	80%	0.802	80%	0.795	S	S	*	*			trans	-136.7	179	161.3	0	0	0	0	0	107.7
272	P	44.3	Very low	29	Very low	134 Å²	134	136.6 Å²	136.6	87%	0.87	80%	0.8	S	S	*	*			cis	-121	-176.8	-5.7	33	-12.7	0	0	0	112.4
273	G	28.5	Very low	29.2	Very low	57 Å²	57	135.5 Å²	135.5	59%	0.588	80%	0.799	S	S	*	*			cis	160.4	-161.3	-4.1	0	0	0	0	0	111.3
274	T	31.5	Very low	29.4	Very low	150 Å²	150	135.3 Å²	135.3	92%	0.92	80%	0.798	S	S	*	*			trans	64.1	138.4	179.5	60.4	0	0	0	0	116.4
275	S	28.8	Very low	29	Very low	98 Å²	98	136.3 Å²	136.3	69%	0.685	80%	0.798	S	S	*	*			cis	-158.9	140.7	-6	47.1	0	0	0	0	111.8
276	E	29.2	Very low	29	Very low	204 Å²	204	133.9 Å²	133.9	95%	0.953	79%	0.793	S	S	*	*			trans	46.7	142.3	148.6	-55.2	-166.4	128.4	0	0	122.2
277	G	30	Very low	29.3	Very low	76 Å²	76	135.7 Å²	135.7	78%	0.784	80%	0.795	S	S	*	*			trans	167.5	45.8	175.8	0	0	0	0	0	116.5
278	V	28.7	Very low	29.1	Very low	143 Å²	143	135 Å²	135	87%	0.867	80%	0.797	S	S	*	*			trans	-83.8	114	-176.7	177.9	0	0	0	0	112.5
279	V	31.2	Very low	28.9	Very low	143 Å²	143	131.9 Å²	131.9	87%	0.867	80%	0.795	S	S	*	*			trans	-145.8	149.1	146.1	-163	0	0	0	0	109
280	A	27.1	Very low	28.7	Very low	80 Å²	80	136.3 Å²	136.3	66%	0.661	80%	0.8	S	S	*	*			trans	-125.8	148.2	177.3	0	0	0	0	0	111.9
281	R	29.1	Very low	28.6	Very low	235 Å²	235	135.7 Å²	135.7	89%	0.887	78%	0.782	S	S	*	*			trans	169.6	133.6	131.4	-93.9	159.9	179.6	-169.2	-0.1	114.5
282	R	29.1	Very low	28.7	Very low	217 Å²	217	136.8 Å²	136.8	82%	0.819	78%	0.784	S	S	*	*			trans	45.4	122.4	137.4	-63.8	-173.7	176.5	-158.5	-2.2	121.5
283	L	28.5	Very low	28.1	Very low	156 Å²	156	139.3 Å²	139.3	82%	0.817	78%	0.782	S	S	*	*				37.1	116.6	120.8	-60.1	161	0	0	0	118.5
284	S	28	Very low	28.1	Very low	99 Å²	99	142.5 Å²	142.5	69%	0.692	79%	0.789	S	S	*	*				164.4	135.1	100.2	-106	0	0	0	0	114.9
285	D	25.8	Very low	27.9	Very low	126 Å²	126	141.4 Å²	141.4	67%	0.674	78%	0.782	S	S	*	*			trans	71.1	124.9	134.3	-60.3	-46.2	0	0	0	125.6
286	F	25	Very low	27.7	Very low	176 Å²	176	141.3 Å²	141.3	77%	0.772	78%	0.781	S	S	*	*			trans	86.6	116.9	135	-83.9	-126.8	0	0	0	124.4
287	L	29.3	Very low	27.5	Very low	148 Å²	148	136.7 Å²	136.7	78%	0.775	77%	0.772	S	S	*	*			trans	55.6	118.6	137.1	-57.8	-179.5	0	0	0	123.8
288	T	24	Very low	28.4	Very low	141 Å²	141	137.9 Å²	137.9	87%	0.865	77%	0.766	S	S	*	*				-173.6	140.8	119	24.6	0	0	0	0	106.7
289	C	23.4	Very low	28.4	Very low	117 Å²	117	138 Å²	138	79%	0.791	77%	0.766	S	S	*	*			cis	97.1	93.5	28.1	-166.6	0	0	0	0	114.5
290	E	24.5	Very low	28.2	Very low	183 Å²	183	135.1 Å²	135.1	86%	0.855	76%	0.757	S	S	*	*			trans	-173.9	166.8	139	-95.7	-148.3	82.7	0	0	109.7
291	S	26.6	Very low	28.2	Very low	70 Å²	70	136.8 Å²	136.8	49%	0.49	76%	0.759	S	S	.	*			cis	172.3	117.9	-39.6	171.6	0	0	0	0	110.2
292	S	29.7	Very low	28.3	Very low	120 Å²	120	134.3 Å²	134.3	84%	0.839	76%	0.758	S	S	*	*			trans	-179.2	119.3	156.2	-80.5	0	0	0	0	108
293	K	31.8	Very low	28.5	Very low	187 Å²	187	132.4 Å²	132.4	81%	0.813	76%	0.759	S	S	*	*			cis	75.5	142	32.1	-63.1	-168.4	171	178.9	0	114.1
294	V	28.6	Very low	28.6	Very low	123 Å²	123	134.9 Å²	134.9	75%	0.745	77%	0.766	S	S	*	*			cis	-152.1	166.5	11.3	81.5	0	0	0	0	112.9
295	V	27.6	Very low	28.5	Very low	128 Å²	128	137.1 Å²	137.1	78%	0.776	77%	0.77	S	S	*	*			trans	69.4	150.3	165.3	159.5	0	0	0	0	116.5
296	S	25.4	Very low	28.7	Very low	95 Å²	95	135.9 Å²	135.9	66%	0.664	77%	0.767	S	S	*	*			cis	-161.1	164.4	-35.8	-77.8	0	0	0	0	107.3
297	S	24.1	Very low	28.8	Very low	108 Å²	108	139 Å²	139	76%	0.755	77%	0.774	S	S	*	*			cis	81.8	155.7	19.7	-128.6	0	0	0	0	115.7
298	P	48.3	Very low	28.8	Very low	101 Å²	101	137.9 Å²	137.9	66%	0.656	77%	0.772	S	S	*	*			cis	-141.8	176.8	1.1	43.5	-25.8	0	0	0	118
299	V	29.3	Very low	28.9	Very low	144 Å²	144	139.3 Å²	139.3	87%	0.873	77%	0.767	S	S	*	*			trans	71.3	148.3	143.3	154.7	0	0	0	0	118.1
300	A	26.9	Very low	29.3	Very low	83 Å²	83	138.7 Å²	138.7	69%	0.686	76%	0.759	S	S	*	*			cis	-138.2	-176.2	19.5	0	0	0	0	0	115.8
301	T	28	Very low	29.5	Very low	115 Å²	115	137.5 Å²	137.5	71%	0.706	75%	0.753	S	S	*	*			trans	-64	-177.5	161.5	38.4	0	0	0	0	111.9
302	E	29.5	Very low	29.5	Very low	183 Å²	183	144.3 Å²	144.3	86%	0.855	77%	0.768	S	S	*	*			cis	-156.6	179.2	50	-47.4	-168.3	147.7	0	0	113.3
303	E	34.2	Very low	29.4	Very low	178 Å²	178	146.1 Å²	146.1	83%	0.832	77%	0.768	S	S	*	*			trans	-138.5	123.7	-168.2	59.5	-160.3	89	0	0	112.3
304	E	30.2	Very low	29.4	Very low	208 Å²	208	141.3 Å²	141.3	97%	0.972	76%	0.758	S	S	*	*			trans	-163.5	-178.6	165.9	-129.7	-176.9	-175.1	0	0	113.5
305	D	27.1	Very low	29.4	Very low	145 Å²	145	141.9 Å²	141.9	78%	0.775	76%	0.757	S	S	*	*			trans	-132.1	167.4	-146.1	-162.8	14.3	0	0	0	116.6
306	V	29.7	Very low	29.6	Very low	101 Å²	101	143.8 Å²	143.8	61%	0.612	76%	0.757	S	S	*	*			trans	34.4	115	169.5	-176.4	0	0	0	0	119.8
307	R	26.3	Very low	30	Very low	242 Å²	242	147 Å²	147	91%	0.913	76%	0.761	S	S	*	*				-155.8	135.2	121.2	-139.2	151.7	-66.8	-149.4	3.1	116.6
308	V	30.5	Very low	30.4	Very low	123 Å²	123	147.5 Å²	147.5	75%	0.745	76%	0.76	S	S	*	*			trans	-89.2	141.1	164.9	176.1	0	0	0	0	109.4	V310	V308-V310 HydrophobicContact CG1-CG2 4.38Å
309	K	26.1	Very low	29.4	Very low	171 Å²	171	148.9 Å²	148.9	74%	0.743	76%	0.758	S	S	*	*			trans	-135.9	127	152.9	-165.8	-169.8	178.6	-156.6	0	110.1	E311	K309-E311 WeakPolarHBondContact CE-OE2 3.37Å; K309-E311 IonicContact NZ-OE2 2.59Å; K309-E311 PolarHBondContact NZ-OE2 3.45Å
310	V	30.4	Very low	29.4	Very low	105 Å²	105	149.7 Å²	149.7	64%	0.636	75%	0.752	S	S	*	*			trans	-91.5	140.6	167.7	176.2	0	0	0	0	108.3	V308	V308-V310 HydrophobicContact CG1-CG2 4.38Å
311	E	29.4	Very low	29.7	Very low	157 Å²	157	149.6 Å²	149.6	73%	0.734	75%	0.751	S	S	*	*			trans	-133	152.6	156.8	-148.2	148.4	141.8	0	0	108.9	K309	K309-E311 WeakPolarHBondContact CE-OE2 3.37Å; K309-E311 IonicContact NZ-OE2 2.59Å; K309-E311 PolarHBondContact NZ-OE2 3.45Å
312	R	27.1	Very low	29.6	Very low	213 Å²	213	149.5 Å²	149.5	80%	0.804	76%	0.755	S	S	*	*			trans	-152.4	178.9	-163.9	-148.3	-176.5	-180	101.6	-0.4	108.9
313	L	27.9	Very low	29.5	Very low	159 Å²	159	146.1 Å²	146.1	83%	0.832	75%	0.752	S	S	*	*			trans	81.9	141.5	-179.5	-46.1	170.4	0	0	0	113.2
314	S	30.6	Very low	29.4	Very low	86 Å²	86	146.4 Å²	146.4	60%	0.601	75%	0.753	S	S	*	*			cis	-166.2	-161.9	-19.8	-84.6	0	0	0	0	107.1
315	D	28.3	Very low	30.7	Very low	135 Å²	135	141 Å²	141	72%	0.722	74%	0.737	S	S	*	*			cis	-147.3	168.1	6	-83.2	-62.1	0	0	0	110.5
316	E	33.2	Very low	30.7	Very low	167 Å²	167	140.2 Å²	140.2	78%	0.78	74%	0.736	S	S	*	*			trans	25.5	130.6	150	-61.8	176.5	122.6	0	0	121.7
317	E	33.4	Very low	30.8	Very low	162 Å²	162	140.6 Å²	140.6	76%	0.757	74%	0.743	S	S	*	*			cis	106.3	132.9	39.7	-167.1	169.3	152.7	0	0	111.3
318	V	31.8	Very low	30.9	Very low	120 Å²	120	133.3 Å²	133.3	73%	0.727	74%	0.735	S	S	*	*				175.2	141.1	104.9	149.1	0	0	0	0	113.1
319	Q	27.8	Very low	31	Very low	129 Å²	129	132.2 Å²	132.2	60%	0.603	73%	0.733	S	S	*	*			trans	55.7	117.6	158.9	-98.7	46.7	30.8	0	0	126.3
320	E	29.9	Very low	31.2	Very low	161 Å²	161	132 Å²	132	75%	0.752	74%	0.735	S	S	*	*				44.2	154.8	115.7	-64.1	-170	84.6	0	0	124.1
321	A	31.9	Very low	31.2	Very low	81 Å²	81	131.8 Å²	131.8	67%	0.669	74%	0.738	S	S	*	*			cis	-175.7	-177.9	-18.9	0	0	0	0	0	110.6
322	S	26.1	Very low	31.4	Very low	114 Å²	114	129.1 Å²	129.1	80%	0.797	74%	0.737	S	S	*	*			trans	77	141.3	167.4	-162.7	0	0	0	0	117.4
323	S	28.6	Very low	31.7	Very low	112 Å²	112	127 Å²	127	78%	0.783	74%	0.738	S	S	*	*			cis	-159.9	171.9	-15.6	-90.1	0	0	0	0	111.6
324	Q	31.4	Very low	32	Very low	183 Å²	183	123.7 Å²	123.7	86%	0.855	73%	0.728	S	S	*	*			trans	-108.8	-178.6	179.6	-97.3	-169.7	6	0	0	111.8
325	P	56.6	Low	32	Very low	96 Å²	96	125.8 Å²	125.8	62%	0.623	73%	0.733	S	S	*	*			cis	-140.8	-158.1	-34	37.1	-15.7	0	0	0	114.3
326	V	28.4	Very low	32.3	Very low	127 Å²	127	127.2 Å²	127.2	77%	0.77	74%	0.735	S	S	*	*			trans	80.4	133.3	150.4	-69.8	0	0	0	0	126
327	S	30.8	Very low	32.2	Very low	109 Å²	109	128 Å²	128	76%	0.762	74%	0.739	S	S	*	*			trans	84.9	98.7	138.7	-70	0	0	0	0	124.5
328	A	28.9	Very low	32.1	Very low	90 Å²	90	126.4 Å²	126.4	74%	0.744	74%	0.74	S	S	*	*				57.9	150.1	115.5	0	0	0	0	0	124.2
329	S	31.7	Very low	32.3	Very low	100 Å²	100	127.2 Å²	127.2	70%	0.699	75%	0.745	S	S	*	*			trans	75.7	157.5	166.6	-57.2	0	0	0	0	117.3
330	Q	31.1	Very low	32.9	Very low	167 Å²	167	127.1 Å²	127.1	78%	0.78	76%	0.756	S	S	*	*			cis	-162.5	145.9	-22.5	-108.9	169.8	78.2	0	0	109.6
331	S	30.2	Very low	32.8	Very low	99 Å²	99	123.3 Å²	123.3	69%	0.692	76%	0.759	S	S	*	*			trans	41.7	144.4	149	66.3	0	0	0	0	125.2
332	S	34.3	Very low	32.8	Very low	102 Å²	102	125 Å²	125	71%	0.713	77%	0.766	S	S	*	*			trans	96	126.6	130.2	-91.3	0	0	0	0	123.5
333	M	32.4	Very low	33	Very low	167 Å²	167	129.2 Å²	129.2	82%	0.823	77%	0.773	S	S	*	*			trans	60	150.6	153.8	-44.5	-47	-81.8	0	0	117.6
334	S	33.9	Very low	33.2	Very low	90 Å²	90	133 Å²	133	63%	0.629	78%	0.778	S	S	*	*			cis	-148.6	-177.6	-5.3	-105	0	0	0	0	106.4
335	D	31.9	Very low	33	Very low	131 Å²	131	131.5 Å²	131.5	70%	0.701	78%	0.782	S	S	*	*			cis	-163.2	179.5	36.8	-131.6	-47.5	0	0	0	114.6
336	Q	34.5	Very low	31.6	Very low	164 Å²	164	134.5 Å²	134.5	77%	0.766	79%	0.787	S	S	*	*			trans	-67.6	156.9	-167.6	-56.1	147.8	74.8	0	0	117.3
337	Q	31.3	Very low	31.7	Very low	185 Å²	185	137.8 Å²	137.8	86%	0.864	79%	0.794	S	S	*	*				-175.5	154	107.9	-102.2	178.5	-1.6	0	0	117.1
338	T	31.1	Very low	31.7	Very low	128 Å²	128	139.6 Å²	139.6	79%	0.785	79%	0.791	S	S	*	*			trans	86.9	115.2	157.9	-54.3	0	0	0	0	120.8
339	V	34.5	Very low	31.8	Very low	136 Å²	136	143.3 Å²	143.3	82%	0.824	80%	0.797	S	S	*	*			trans	-147.5	137.7	167	176.5	0	0	0	0	102.7
340	P	42	Very low	31.8	Very low	128 Å²	128	146.2 Å²	146.2	83%	0.831	80%	0.804	S	S	*	*				-150.8	-178.2	60	42.4	-21.5	0	0	0	117.2
341	G	27.4	Very low	31.7	Very low	80 Å²	80	146.1 Å²	146.1	83%	0.825	81%	0.807	S	S	*	*			trans	160.8	98.1	167.4	0	0	0	0	0	111.9
342	S	32.5	Very low	31.6	Very low	117 Å²	117	146.2 Å²	146.2	82%	0.818	81%	0.808	S	S	*	*			trans	-129.6	130.8	-176.4	58.3	0	0	0	0	111.6
343	E	30.3	Very low	31.9	Very low	202 Å²	202	147.1 Å²	147.1	94%	0.944	81%	0.811	S	S	*	*			trans	-151.6	152.3	165.3	-120.4	162.2	-163.8	0	0	110.7
344	Q	31.2	Very low	31.7	Very low	191 Å²	191	147.8 Å²	147.8	89%	0.893	81%	0.812	S	S	*	*			trans	-111.6	135.6	-172.4	-58.5	170.2	-66.2	0	0	110.4
345	V	28.8	Very low	31.6	Very low	153 Å²	153	148.3 Å²	148.3	93%	0.927	82%	0.816	S	S	*	*			trans	-134.9	146.5	151.2	-177.9	0	0	0	0	108.7
346	Q	26.1	Very low	31.6	Very low	158 Å²	158	147.8 Å²	147.8	74%	0.738	82%	0.822	S	S	*	*			trans	-111.4	138.5	-172.1	163.2	-171.4	-11.6	0	0	109.1
347	E	31.1	Very low	31.4	Very low	196 Å²	196	144.5 Å²	144.5	92%	0.916	82%	0.818	S	S	*	*			trans	-145.7	138.8	156.7	-130.8	172.2	-174.1	0	0	110.5
348	E	29.5	Very low	31.4	Very low	148 Å²	148	144 Å²	144	69%	0.692	82%	0.819	S	S	*	*			trans	-84.3	159.6	174.5	-67	175.4	65.5	0	0	110.3
349	L	32	Very low	31.3	Very low	168 Å²	168	141.5 Å²	141.5	88%	0.88	82%	0.819	S	S	*	*				-171.8	125.6	113.2	-99.2	166	0	0	0	111.3
350	L	31.2	Very low	31	Very low	161 Å²	161	140.8 Å²	140.8	84%	0.843	82%	0.82	S	S	*	*			trans	-93.2	131.1	174.9	-67.2	166.7	0	0	0	110.1
351	I	28.6	Very low	30.7	Very low	165 Å²	165	143.6 Å²	143.6	85%	0.846	82%	0.824	S	S	*	*			trans	-133.7	119.6	158	-56.6	-177.7	0	0	0	109.5
352	S	29.3	Very low	30.7	Very low	101 Å²	101	147 Å²	147	71%	0.706	82%	0.824	S	S	*	*			trans	-109.6	154.5	163.7	-84	0	0	0	0	109.4
353	P	40.1	Very low	30.8	Very low	120 Å²	120	150.4 Å²	150.4	78%	0.779	83%	0.827	S	S	*	*			trans	-70.1	154.4	-173.6	29.4	-36.1	0	0	0	112.7
354	Q	27.8	Very low	30.7	Very low	182 Å²	182	144.3 Å²	144.3	85%	0.85	82%	0.818	S	S	*	*			trans	-126.7	159.8	170.4	-71.5	-62.9	-19.7	0	0	110.8
355	S	32.1	Very low	30.6	Very low	101 Å²	101	141.7 Å²	141.7	71%	0.706	82%	0.815	S	S	*	*			trans	-125.3	-175.8	-171.6	62.9	0	0	0	0	111.4
356	S	31.3	Very low	30.6	Very low	119 Å²	119	140.1 Å²	140.1	83%	0.832	81%	0.811	S	S	*	*			trans	73.8	162.4	175.7	85	0	0	0	0	115.9
357	S	31.6	Very low	30.9	Very low	96 Å²	96	141.4 Å²	141.4	67%	0.671	82%	0.817	S	S	*	*			cis	-173.3	149.4	-35.1	-176.7	0	0	0	0	109.7
358	I	31.5	Very low	30.6	Very low	173 Å²	173	137.8 Å²	137.8	89%	0.887	81%	0.813	S	S	*	*			trans	64.7	135.8	160.7	-76.7	164.7	0	0	0	118.7
359	G	27.9	Very low	30.4	Very low	76 Å²	76	138.7 Å²	138.7	78%	0.784	82%	0.822	S	S	*	*			trans	-175.2	134.5	165.5	0	0	0	0	0	109.3
360	S	29.4	Very low	31.1	Very low	122 Å²	122	136.3 Å²	136.3	85%	0.853	82%	0.816	S	S	*	*			trans	-129.8	147.5	-170.2	-171.8	0	0	0	0	112.3
361	M	34.8	Very low	30.7	Very low	187 Å²	187	134.1 Å²	134.1	92%	0.921	81%	0.814	S	S	*	*			trans	-151.6	162.1	152	68.2	-179.9	-173.2	0	0	110.3
362	D	28.1	Very low	31	Very low	152 Å²	152	134.4 Å²	134.4	81%	0.813	81%	0.814	S	S	*	*			trans	-132.7	-176.6	-167.5	-174.3	-150.8	0	0	0	110.8
363	E	33.5	Very low	30.8	Very low	188 Å²	188	139.1 Å²	139.1	88%	0.879	83%	0.825	S	S	*	*			trans	80.8	139.5	-178.7	-55.2	-155.5	113.6	0	0	116.4
364	G	29.1	Very low	30.4	Very low	74 Å²	74	139.2 Å²	139.2	76%	0.763	83%	0.828	S	S	*	*			cis	-158.3	170.9	7.7	0	0	0	0	0	116.4
365	V	28	Very low	30.4	Very low	135 Å²	135	137.7 Å²	137.7	82%	0.818	83%	0.832	S	S	*	*			trans	-70.8	145.9	-166.9	164.6	0	0	0	0	115
366	S	29.2	Very low	30.2	Very low	121 Å²	121	137.8 Å²	137.8	85%	0.846	83%	0.832	S	S	*	*			trans	-150.3	127.1	136.4	49.6	0	0	0	0	111.7
367	E	32.8	Very low	30.1	Very low	185 Å²	185	139.8 Å²	139.8	86%	0.864	83%	0.834	S	S	*	*			trans	-94.3	140.4	173.3	-66.7	-177.7	92.3	0	0	110.8
368	S	25.3	Very low	30.2	Very low	119 Å²	119	140 Å²	140	83%	0.832	84%	0.841	S	S	*	*			trans	-162.6	127.2	150.3	54	0	0	0	0	113.7
369	L	25.4	Very low	30.5	Very low	168 Å²	168	135.3 Å²	135.3	88%	0.88	84%	0.836	S	S	*	*			trans	-155.3	161.5	163	-90.7	178.2	0	0	0	106.8
370	P	45.2	Very low	30.7	Very low	118 Å²	118	135.4 Å²	135.4	77%	0.766	84%	0.836	S	S	*	*			cis	-126.3	173.4	-6.8	40.5	-27	0	0	0	113.5
371	S	22.7	Very low	31.4	Very low	115 Å²	115	134.5 Å²	134.5	80%	0.804	82%	0.819	S	S	*	*			trans	-155.7	158.8	142.1	-163.7	0	0	0	0	111.5
372	M	35	Very low	31.6	Very low	171 Å²	171	129.1 Å²	129.1	84%	0.842	80%	0.804	S	S	*	*			trans	-108.4	129.3	179	-67.3	-95.6	81.9	0	0	110.3
373	Q	26.1	Very low	32.2	Very low	199 Å²	199	130.3 Å²	130.3	93%	0.93	81%	0.805	S	S	*	*			trans	-153.6	140.5	150.7	-120.3	165.2	5.5	0	0	111.8
374	S	31.8	Very low	32.8	Very low	122 Å²	122	126.1 Å²	126.1	85%	0.853	79%	0.788	S	S	*	*			trans	-98.1	130.3	-172.2	-52.7	0	0	0	0	111.5
375	T	26.8	Very low	33.6	Very low	150 Å²	150	124.5 Å²	124.5	92%	0.92	76%	0.762	S	S	*	*			trans	-128.1	149.2	158.9	53.4	0	0	0	0	109.7
376	S	29.2	Very low	34.7	Very low	103 Å²	103	126.1 Å²	126.1	72%	0.72	76%	0.761	S	S	*	*			trans	-112.4	136.5	-162	56.8	0	0	0	0	113.6
377	N	28.8	Very low	35.8	Very low	162 Å²	162	128.6 Å²	128.6	87%	0.866	75%	0.752	S	S	*	*			trans	62.9	143.3	159	-67.8	-7.9	0	0	0	117.4
378	A	33.9	Very low	36.8	Very low	100 Å²	100	121 Å²	121	83%	0.826	72%	0.717	S	S	*	*			cis	-150.6	144.9	-10.4	0	0	0	0	0	109.4
379	G	37.1	Very low	38	Very low	75 Å²	75	121.6 Å²	121.6	77%	0.773	71%	0.707	S	S	*	*			trans	171.2	-4.1	-178.4	0	0	0	0	0	117.3	H381	G379-H381 PolarHBondContact O-N 2.74Å
380	G	32.5	Very low	39.2	Very low	77 Å²	77	117.3 Å²	117.3	79%	0.794	70%	0.703	S	S	*	*			trans	-70	95.1	-177.6	0	0	0	0	0	113.6
381	H	45	Very low	39.7	Very low	103 Å²	103	113.3 Å²	113.3	48%	0.477	68%	0.675	S	S	.	*			trans	-150.2	7.2	170.6	-147.8	-58.2	0	0	0	114.4	G379 R425	G379-H381 PolarHBondContact O-N 2.74Å; H381-R425 PolarHBondContact NE2-NH1 2.95Å
382	A	38.9	Very low	40.8	Very low	75 Å²	75	115.8 Å²	115.8	62%	0.62	67%	0.674	S	S	*	*	S	Bend	trans	-90.8	-38.1	-179.6	0	0	0	0	0	113.3	D384 D385	A382-D384 VanDerWaalsContact C-N 3.34Å; A382-D384 PolarHBondContact O-N 3.31Å; A382-D385 PolarHBondContact O-N 3.27Å
383	E	40.6	Very low	41.6	Very low	177 Å²	177	109.4 Å²	109.4	83%	0.827	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-23.3	-167.4	-62.2	164.2	-144.5	0	0	114.8
384	D	45.4	Very low	42.4	Very low	99 Å²	99	104 Å²	104	53%	0.529	62%	0.622	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85.6	-13.9	176.9	-91.7	-49.8	0	0	0	112.9	A382 A454	A382-D384 VanDerWaalsContact C-N 3.34Å; A382-D384 PolarHBondContact O-N 3.31Å; D384-A454 WeakPolarHBondContact OD1-CB 3.46Å
385	D	46.9	Very low	43.1	Very low	41 Å²	41	104 Å²	104	22%	0.219	60%	0.604	C	S	.	*	T	Hydrogen-bonded Turn	trans	-79.8	-42.8	-172.5	-104.1	-93.8	0	0	0	113.4	A382 R387 L388 E389 Q427	A382-D385 PolarHBondContact O-N 3.27Å; D385-R387 PolarHBondContact O-N 3.29Å; D385-R387 VanDerWaalsContact O-N 3.14Å; D385-L388 WeakPolarHBondContact O-CA 3.17Å; D385-L388 WeakPolarHBondContact O-CB 3.34Å; D385-L388 PolarHBondContact O-N 2.87Å; D385-E389 PolarHBondContact O-N 3.27Å; D385-Q427 PolarHBondContact OD1-NE2 2.84Å; D385-Q427 PolarHBondContact OD2-NE2 3.04Å
386	E	50.3	Low	44.1	Very low	169 Å²	169	105.4 Å²	105.4	79%	0.79	60%	0.601	S	S	*	*	H	α-helix	trans	-56.3	-35.5	-178.7	-77.2	-174.2	72.4	0	0	112.8	L388 E389	E386-L388 PolarHBondContact O-N 3.43Å; E386-E389 PolarHBondContact O-N 3.01Å
387	R	51.9	Low	45	Very low	172 Å²	172	102.7 Å²	102.7	65%	0.649	58%	0.577	S	S	*	*	H	α-helix	trans	-73.5	-11	178.6	-167.9	169.8	174.8	88.8	9.1	113.4	D385 I391 F442	D385-R387 PolarHBondContact O-N 3.29Å; D385-R387 VanDerWaalsContact O-N 3.14Å; R387-I391 WeakPolarHBondContact O-CD1 3.35Å; R387-F442 HydrophobicContact CG-CE1 4.42Å
388	L	54.2	Low	45.7	Very low	27 Å²	27	101 Å²	101	14%	0.141	56%	0.56	C	S	.	*	H	α-helix	trans	-95.4	-21.6	175.9	-75.3	158.1	0	0	0	113.3	D385 E386 I391 L434 F442	D385-L388 WeakPolarHBondContact O-CA 3.17Å; D385-L388 WeakPolarHBondContact O-CB 3.34Å; D385-L388 PolarHBondContact O-N 2.87Å; E386-L388 PolarHBondContact O-N 3.43Å; L388-I391 HydrophobicContact CD2-CD1 4.16Å; L388-L434 HydrophobicContact CD2-CD1 4.46Å; L388-F442 HydrophobicContact CD2-CE2 4.38Å; L388-F442 HydrophobicContact CD2-CZ 4.19Å; L388-F442 HydrophobicContact CG-CZ 4.43Å
389	E	50.8	Low	46.5	Very low	131 Å²	131	98.4 Å²	98.4	61%	0.612	53%	0.532	S	S	*	.	H	α-helix	trans	-68.7	-39.3	176.5	-73.8	-69.2	104.1	0	0	112.2	D385 E386 I391 K430	D385-E389 PolarHBondContact O-N 3.27Å; E386-E389 PolarHBondContact O-N 3.01Å; E389-I391 PolarHBondContact O-N 3.28Å; E389-K430 IonicContact OE1-NZ 2.77Å; E389-K430 PolarHBondContact OE1-NZ 2.98Å
390	G	50	Low	46.7	Very low	77 Å²	77	98.5 Å²	98.5	79%	0.794	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	9.3	179.2	0	0	0	0	0	116.2
391	I	56.3	Low	47.2	Very low	35 Å²	35	100 Å²	100	18%	0.179	52%	0.516	C	S	.	.	S	Bend	trans	-104.2	111.4	-179.1	-62	167.9	0	0	0	109	R387 L388 E389 Y393 P441	R387-I391 WeakPolarHBondContact O-CD1 3.35Å; L388-I391 HydrophobicContact CD2-CD1 4.16Å; E389-I391 PolarHBondContact O-N 3.28Å; I391-Y393 HydrophobicContact CB-CE2 4.33Å; I391-Y393 HydrophobicContact CG2-CE2 4.45Å; I391-Y393 WeakPolarHBondContact O-CD2 3.47Å; I391-Y393 PolarHBondContact O-N 3.05Å; I391-P441 HydrophobicContact CD1-CB 3.48Å; I391-P441 VanDerWaalsContact CD1-CB 3.48Å; I391-P441 HydrophobicContact CD1-CG 3.69Å; I391-P441 HydrophobicContact CG1-CB 4.29Å
392	Q	45.1	Very low	47.1	Very low	167 Å²	167	98 Å²	98	78%	0.78	51%	0.514	S	S	*	.			trans	-63.2	96.3	173.9	-169.2	72.6	38.5	0	0	110.5	P394	Q392-P394 WeakPolarHBondContact O-CD 3.42Å
393	Y	51.7	Low	47.3	Very low	36 Å²	36	99 Å²	99	14%	0.141	52%	0.522	C	S	.	.			trans	-68.4	121.2	172.1	-74.6	-95.2	0	0	0	109	I391 Y395 K430 L434	I391-Y393 HydrophobicContact CB-CE2 4.33Å; I391-Y393 HydrophobicContact CG2-CE2 4.45Å; I391-Y393 WeakPolarHBondContact O-CD2 3.47Å; I391-Y393 PolarHBondContact O-N 3.05Å; Y393-Y395 PolarHBondContact O-N 3.34Å; Y393-Y395 VanDerWaalsContact O-N 3.12Å; Y393-K430 HydrophobicContact CE1-CB 4.49Å; Y393-L434 HydrophobicContact CD1-CD2 4.2Å; Y393-L434 HydrophobicContact CE1-CD1 4.42Å; Y393-L434 HydrophobicContact CE1-CD2 3.61Å; Y393-L434 HydrophobicContact CE1-CG 3.84Å
394	P	43.7	Very low	47.6	Very low	86 Å²	86	101.2 Å²	101.2	56%	0.558	52%	0.523	S	S	*	.	S	Bend	trans	-73.5	-1.7	-179	32.4	-38.5	0	0	0	113.4	Q392 I439	Q392-P394 WeakPolarHBondContact O-CD 3.42Å; P394-I439 HydrophobicContact CG-CD1 3.73Å
395	Y	45.4	Very low	47.5	Very low	121 Å²	121	102.8 Å²	102.8	48%	0.475	54%	0.538	S	S	.	.	S	Bend	trans	-105.9	112.2	169.5	-65.9	-80.5	0	0	0	108.3	Y393 L397	Y393-Y395 PolarHBondContact O-N 3.34Å; Y393-Y395 VanDerWaalsContact O-N 3.12Å; Y395-L397 VanDerWaalsContact C-N 3.27Å; Y395-L397 PolarHBondContact O-N 3.01Å
396	H	48.9	Very low	47.5	Very low	181 Å²	181	103.3 Å²	103.3	84%	0.838	55%	0.554	S	S	*	*			trans	-61.5	96.4	157	-103.5	-101.2	0	0	0	107.3	Y398	H396-Y398 PolarHBondContact O-N 2.92Å
397	L	47.3	Very low	47.5	Very low	45 Å²	45	102 Å²	102	24%	0.236	56%	0.557	C	S	.	*			trans	-71.9	104.1	-179.7	-63.2	176	0	0	0	108.3	Y395 I399 K430 M433	Y395-L397 VanDerWaalsContact C-N 3.27Å; Y395-L397 PolarHBondContact O-N 3.01Å; L397-I399 HydrophobicContact CB-CD1 3.83Å; L397-I399 HydrophobicContact CB-CG1 3.57Å; L397-I399 HydrophobicContact CD1-CD1 4.15Å; L397-I399 WeakPolarHBondContact O-CG1 3.49Å; L397-I399 PolarHBondContact O-N 3.26Å; L397-K430 HydrophobicContact CD1-CG 4.3Å; L397-M433 HydrophobicContact CD1-CG 4.28Å; L397-M433 HydrophobicContact CD2-CE 4.04Å; L397-M433 HydrophobicContact CD2-CG 3.92Å
398	Y	44.7	Very low	47.4	Very low	126 Å²	126	100.3 Å²	100.3	49%	0.494	56%	0.561	S	S	.	*			trans	-66.1	85	160.4	-102.6	-90.9	0	0	0	108.3	E54 S58 H396 S400	E54-Y398 HydrophobicContact CG-CE1 4.42Å; E54-Y398 HydrophobicContact CG-CE2 3.97Å; S58-Y398 PolarHBondContact OG-OH 3.44Å; H396-Y398 PolarHBondContact O-N 2.92Å; Y398-S400 PolarHBondContact O-N 2.81Å
399	I	50.4	Low	47	Very low	47 Å²	47	102 Å²	102	24%	0.241	59%	0.585	C	S	.	*			trans	-86.4	62.8	177	-51.6	178.6	0	0	0	108.1	L397 P401 F414 I426	L397-I399 HydrophobicContact CB-CD1 3.83Å; L397-I399 HydrophobicContact CB-CG1 3.57Å; L397-I399 HydrophobicContact CD1-CD1 4.15Å; L397-I399 WeakPolarHBondContact O-CG1 3.49Å; L397-I399 PolarHBondContact O-N 3.26Å; I399-P401 VanDerWaalsContact O-CD 3.31Å; I399-P401 WeakPolarHBondContact O-CD 3.29Å; I399-F414 HydrophobicContact CG2-CD1 3.61Å; I399-F414 HydrophobicContact CG2-CE1 3.93Å; I399-I426 HydrophobicContact CB-CD1 4.45Å; I399-I426 HydrophobicContact CD1-CD1 3.74Å; I399-I426 HydrophobicContact CD1-CG1 3.62Å; I399-I426 HydrophobicContact CG2-CD1 3.94Å; I399-I426 HydrophobicContact CG2-CG1 4.09Å
400	S	40.8	Very low	47.2	Very low	77 Å²	77	102.1 Å²	102.1	54%	0.538	60%	0.597	S	S	.	*			trans	-62.1	120.2	172.7	-54.6	0	0	0	0	108.7	Y398 S402	Y398-S400 PolarHBondContact O-N 2.81Å; S400-S402 PolarHBondContact O-N 2.82Å; S400-S402 VanDerWaalsContact O-N 3.09Å
401	P	43.5	Very low	48	Very low	108 Å²	108	103.6 Å²	103.6	70%	0.701	59%	0.587	S	S	*	*			trans	-57.9	119.5	171.3	-21.6	33.6	0	0	0	108.3	I399 A403	I399-P401 VanDerWaalsContact O-CD 3.31Å; I399-P401 WeakPolarHBondContact O-CD 3.29Å; P401-A403 PolarHBondContact O-N 3.04Å
402	S	42.6	Very low	48.8	Very low	61 Å²	61	108.4 Å²	108.4	43%	0.427	60%	0.603	S	S	.	*			trans	-75.1	75.5	-179.5	-71.1	0	0	0	0	110.3	S400 R404	S400-S402 PolarHBondContact O-N 2.82Å; S400-S402 VanDerWaalsContact O-N 3.09Å; S402-R404 PolarHBondContact O-N 3.48Å
403	A	43.7	Very low	50.2	Low	95 Å²	95	103 Å²	103	79%	0.785	58%	0.582	S	S	*	*			trans	-72.8	56.6	176.6	0	0	0	0	0	112.1	P401	P401-A403 PolarHBondContact O-N 3.04Å
404	R	46.1	Very low	51.6	Low	224 Å²	224	103.6 Å²	103.6	85%	0.845	59%	0.586	S	S	*	*			trans	-137.1	109.6	163.4	-67.5	-168.4	-138.6	-101.6	1.1	108.5	S402 G406	S402-R404 PolarHBondContact O-N 3.48Å; R404-G406 PolarHBondContact O-N 2.89Å
405	P	42.5	Very low	53.5	Low	133 Å²	133	103.5 Å²	103.5	86%	0.864	58%	0.578	S	S	*	*			trans	-73.5	77	175.3	30	-33.6	0	0	0	110.8	T407	P405-T407 VanDerWaalsContact C-N 3.35Å; P405-T407 PolarHBondContact O-N 3.15Å
406	G	47	Very low	55.3	Low	52 Å²	52	97.9 Å²	97.9	54%	0.536	56%	0.556	S	S	.	*			trans	-77.2	75.8	-179.2	0	0	0	0	0	113.4	R404 N408	R404-G406 PolarHBondContact O-N 2.89Å; G406-N408 PolarHBondContact O-N 2.68Å
407	T	51.7	Low	56.7	Low	142 Å²	142	94.3 Å²	94.3	87%	0.871	55%	0.549	S	S	*	.	S	Bend	trans	52	4.4	164.3	57.5	0	0	0	0	118.8	P405	P405-T407 VanDerWaalsContact C-N 3.35Å; P405-T407 PolarHBondContact O-N 3.15Å
408	N	50	Low	58.1	Low	136 Å²	136	96.1 Å²	96.1	73%	0.727	56%	0.562	S	S	*	*	S	Bend	trans	-127.5	141.4	167.1	-67.2	-96.8	0	0	0	107.5	G406	G406-N408 PolarHBondContact O-N 2.68Å
409	G	44.2	Very low	60	Low	62 Å²	62	93 Å²	93	64%	0.639	56%	0.558	S	S	*	*			trans	-60.3	164.6	-163.2	0	0	0	0	0	116.3	D411	G409-D411 PolarHBondContact O-N 2.95Å
410	P	55.4	Low	61.4	Low	134 Å²	134	92.4 Å²	92.4	87%	0.87	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	7.8	-169.6	29.1	-37.3	0	0	0	116	R412	P410-R412 VanDerWaalsContact C-N 3.28Å; P410-R412 PolarHBondContact O-N 2.87Å
411	D	66.2	Low	63.3	Low	108 Å²	108	91.9 Å²	91.9	58%	0.578	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-23.3	-169.6	-173.8	57.9	0	0	0	114.5	G409 T424	G409-D411 PolarHBondContact O-N 2.95Å; D411-T424 WeakPolarHBondContact O-CG2 3.31Å
412	R	73.9	Confident	65.3	Low	135 Å²	135	91 Å²	91	51%	0.509	54%	0.539	S	S	.	.			trans	-136.9	79.6	-174.2	-56.9	-173.2	-168.8	-172.5	5.2	112.7	P410 R422 F423 T424	P410-R412 VanDerWaalsContact C-N 3.28Å; P410-R412 PolarHBondContact O-N 2.87Å; R412-R422 HydrophobicContact CB-CB 3.82Å; R412-R422 VanDerWaalsContact O-CZ 3.28Å; R412-R422 PolarHBondContact O-NE 2.56Å; R412-R422 PolarHBondContact O-NH2 3.39Å; R412-F423 CarbonylContact C-O 3.6Å; R412-F423 WeakPolarHBondContact CA-O 3.42Å; R412-T424 HydrophobicContact CG-CG2 4.04Å
413	P	74.8	Confident	67.2	Low	54 Å²	54	89.8 Å²	89.8	35%	0.351	53%	0.526	S	S	.	.			trans	-75.2	-27.1	-175.3	27.9	-33.4	0	0	0	114	R422	P413-R422 PolarHBondContact O-NH2 3.36Å; P413-R422 VanDerWaalsContact O-NH2 3.16Å
414	F	80.3	Confident	69.1	Low	49 Å²	49	88.3 Å²	88.3	22%	0.215	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	137.4	-176.9	-53.8	-75.5	0	0	0	111.4	I399 R422 F423 I426 L429	I399-F414 HydrophobicContact CG2-CD1 3.61Å; I399-F414 HydrophobicContact CG2-CE1 3.93Å; F414-R422 CarbonylContact O-C 3.6Å; F414-R422 VanDerWaalsContact O-CA 3.25Å; F414-R422 WeakPolarHBondContact O-CA 3.36Å; F414-F423 HydrophobicContact CB-CB 4.36Å; F414-F423 PolarHBondContact N-O 3.2Å; F414-F423 PolarHBondContact O-N 3.34Å; F414-I426 HydrophobicContact CD1-CB 4.15Å; F414-I426 HydrophobicContact CD1-CG1 4.24Å; F414-I426 HydrophobicContact CE1-CB 3.78Å; F414-I426 HydrophobicContact CE1-CD1 4.14Å; F414-I426 HydrophobicContact CE1-CG1 4.02Å; F414-I426 HydrophobicContact CE2-CB 4.23Å; F414-I426 HydrophobicContact CZ-CB 3.83Å; F414-L429 HydrophobicContact CB-CB 4.41Å; F414-L429 HydrophobicContact CB-CD2 4.07Å
415	Q	83.9	Confident	70.9	Confident	84 Å²	84	83.5 Å²	83.5	39%	0.393	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	140.8	-179.5	-171.9	166.9	25.1	0	0	111.9	G420 R422 L429	Q415-G420 WeakPolarHBondContact CG-O 3.49Å; Q415-G420 PolarHBondContact NE2-O 3.44Å; Q415-R422 HydrophobicContact CB-CG 4.26Å; Q415-R422 HydrophobicContact CG-CG 4Å; Q415-L429 WeakPolarHBondContact O-CD2 3.29Å
416	C	84	Confident	72.7	Confident	2 Å²	2	80.5 Å²	80.5	1%	0.014	47%	0.466	C	S	.	.			trans	-75.4	125.6	172.6	177.3	0	0	0	0	111	T418 C419 G420 V421 F423 L429 H432 H436	C416-T418 VanDerWaalsContact C-N 3.32Å; C416-T418 PolarHBondContact O-N 3.27Å; C416-T418 PolarHBondContact SG-N 2.9Å; C416-T418 VanDerWaalsContact SG-N 3.39Å; C416-C419 VanDerWaalsContact SG-SG 3.62Å; C416-G420 VanDerWaalsContact O-CA 3.27Å; C416-G420 WeakPolarHBondContact O-CA 3.24Å; C416-G420 PolarHBondContact O-N 3.09Å; C416-V421 PolarHBondContact N-O 3.15Å; C416-F423 HydrophobicContact CB-CE2 4.29Å; C416-L429 HydrophobicContact CB-CD1 3.88Å; C416-H432 VanDerWaalsContact SG-CD2 3.55Å; C416-H436 PolarHBondContact SG-NE2 2.92Å; C416-H436 VanDerWaalsContact SG-NE2 3.42Å
417	P	77.7	Confident	74.4	Confident	106 Å²	106	81 Å²	81	69%	0.688	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-31.3	177	27.6	-34.6	0	0	0	112.7	M433	P417-M433 HydrophobicContact CG-CE 4.19Å; P417-M433 HydrophobicContact CG-SD 4.43Å
418	T	77.2	Confident	75.9	Confident	83 Å²	83	77.2 Å²	77.2	51%	0.509	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-27	-173.6	-43.1	0	0	0	0	113.9	C416 H436	C416-T418 VanDerWaalsContact C-N 3.32Å; C416-T418 PolarHBondContact O-N 3.27Å; C416-T418 PolarHBondContact SG-N 2.9Å; C416-T418 VanDerWaalsContact SG-N 3.39Å; T418-H436 HydrophobicContact CG2-CB 4.18Å
419	C	83.7	Confident	77.6	Confident	61 Å²	61	71 Å²	71	41%	0.412	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145	9.3	-177.2	69.8	0	0	0	0	115.5	C416 V421 H432 H436	C416-C419 VanDerWaalsContact SG-SG 3.62Å; C419-V421 PolarHBondContact O-N 3.37Å; C419-H432 PolarHBondContact SG-NE2 3.44Å; C419-H436 PolarHBondContact SG-NE2 2.82Å
420	G	80.1	Confident	79.4	Confident	34 Å²	34	70.9 Å²	70.9	35%	0.351	38%	0.377	S	S	.	.			trans	71.4	-3.6	173.5	0	0	0	0	0	116.6	Q415 C416 R422	Q415-G420 WeakPolarHBondContact CG-O 3.49Å; Q415-G420 PolarHBondContact NE2-O 3.44Å; C416-G420 VanDerWaalsContact O-CA 3.27Å; C416-G420 WeakPolarHBondContact O-CA 3.24Å; C416-G420 PolarHBondContact O-N 3.09Å; G420-R422 PolarHBondContact O-N 3.32Å
421	V	82.1	Confident	80.7	Confident	66 Å²	66	65.9 Å²	65.9	40%	0.4	34%	0.342	S	S	.	.			trans	-61.8	133.5	179.6	177.8	0	0	0	0	110.9	C416 C419 F423	C416-V421 PolarHBondContact N-O 3.15Å; C419-V421 PolarHBondContact O-N 3.37Å; V421-F423 HydrophobicContact CB-CE2 4.12Å; V421-F423 HydrophobicContact CB-CZ 4.13Å; V421-F423 HydrophobicContact CG1-CE1 4.05Å; V421-F423 HydrophobicContact CG1-CE2 3.8Å; V421-F423 HydrophobicContact CG1-CZ 3.47Å; V421-F423 VanDerWaalsContact CG1-CZ 3.47Å; V421-F423 WeakPolarHBondContact O-CE2 3.33Å
422	R	83.9	Confident	81.6	Confident	91 Å²	91	61.9 Å²	61.9	34%	0.343	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	142.4	-178.2	-55.4	-169.9	69.3	89.9	5.2	112.8	R412 P413 F414 Q415 G420	R412-R422 HydrophobicContact CB-CB 3.82Å; R412-R422 VanDerWaalsContact O-CZ 3.28Å; R412-R422 PolarHBondContact O-NE 2.56Å; R412-R422 PolarHBondContact O-NH2 3.39Å; P413-R422 PolarHBondContact O-NH2 3.36Å; P413-R422 VanDerWaalsContact O-NH2 3.16Å; F414-R422 CarbonylContact O-C 3.6Å; F414-R422 VanDerWaalsContact O-CA 3.25Å; F414-R422 WeakPolarHBondContact O-CA 3.36Å; Q415-R422 HydrophobicContact CB-CG 4.26Å; Q415-R422 HydrophobicContact CG-CG 4Å; G420-R422 PolarHBondContact O-N 3.32Å
423	F	82.8	Confident	82.1	Confident	34 Å²	34	55.6 Å²	55.6	15%	0.149	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	148.1	-175	-59.6	-82.2	0	0	0	112.1	R412 F414 C416 V421 N428 L429 H432	R412-F423 CarbonylContact C-O 3.6Å; R412-F423 WeakPolarHBondContact CA-O 3.42Å; F414-F423 HydrophobicContact CB-CB 4.36Å; F414-F423 PolarHBondContact N-O 3.2Å; F414-F423 PolarHBondContact O-N 3.34Å; C416-F423 HydrophobicContact CB-CE2 4.29Å; V421-F423 HydrophobicContact CB-CE2 4.12Å; V421-F423 HydrophobicContact CB-CZ 4.13Å; V421-F423 HydrophobicContact CG1-CE1 4.05Å; V421-F423 HydrophobicContact CG1-CE2 3.8Å; V421-F423 HydrophobicContact CG1-CZ 3.47Å; V421-F423 VanDerWaalsContact CG1-CZ 3.47Å; V421-F423 WeakPolarHBondContact O-CE2 3.33Å; F423-N428 HydrophobicContact CB-CB 4.13Å; F423-N428 HydrophobicContact CD1-CB 3.77Å; F423-N428 HydrophobicContact CG-CB 4.17Å; F423-L429 HydrophobicContact CD2-CB 3.97Å; F423-L429 HydrophobicContact CD2-CD1 4.1Å; F423-L429 HydrophobicContact CE2-CD1 4.1Å; F423-L429 HydrophobicContact CG-CB 4.47Å; F423-H432 HydrophobicContact CE1-CB 4.16Å; F423-H432 HydrophobicContact CE2-CB 3.95Å; F423-H432 AromaticContact CE2-CD2 3.91Å; F423-H432 AromaticContact CE2-CG 3.86Å; F423-H432 HydrophobicContact CZ-CB 3.5Å; F423-H432 AromaticContact CZ-CD2 3.86Å; F423-H432 AromaticContact CZ-CG 3.39Å; F423-H432 AromaticContact CZ-ND1 3.66Å
424	T	84.9	Confident	82.5	Confident	65 Å²	65	53 Å²	53	40%	0.399	28%	0.28	S	S	.	.	S	Bend	trans	-71.3	-31.6	174.1	53.1	0	0	0	0	112.8	D411 R412	D411-T424 WeakPolarHBondContact O-CG2 3.31Å; R412-T424 HydrophobicContact CG-CG2 4.04Å
425	R	83.2	Confident	82.6	Confident	123 Å²	123	55 Å²	55	46%	0.464	29%	0.292	S	S	.	.	S	Bend	trans	-130.6	148.3	-174.6	-62.6	-176.1	-176	169.7	-0.4	112.4	H381 Q427 N428 L429	H381-R425 PolarHBondContact NE2-NH1 2.95Å; R425-Q427 PolarHBondContact O-N 3.21Å; R425-N428 WeakPolarHBondContact O-CB 3.35Å; R425-N428 PolarHBondContact O-N 3.15Å; R425-L429 PolarHBondContact O-N 3.26Å
426	I	80.6	Confident	82.4	Confident	70 Å²	70	54.3 Å²	54.3	36%	0.359	29%	0.288	S	S	.	.	H	α-helix	trans	-61.9	-38.7	178.9	-163.4	168.2	0	0	0	113.1	I399 F414 N428 L429 K430	I399-I426 HydrophobicContact CB-CD1 4.45Å; I399-I426 HydrophobicContact CD1-CD1 3.74Å; I399-I426 HydrophobicContact CD1-CG1 3.62Å; I399-I426 HydrophobicContact CG2-CD1 3.94Å; I399-I426 HydrophobicContact CG2-CG1 4.09Å; F414-I426 HydrophobicContact CD1-CB 4.15Å; F414-I426 HydrophobicContact CD1-CG1 4.24Å; F414-I426 HydrophobicContact CE1-CB 3.78Å; F414-I426 HydrophobicContact CE1-CD1 4.14Å; F414-I426 HydrophobicContact CE1-CG1 4.02Å; F414-I426 HydrophobicContact CE2-CB 4.23Å; F414-I426 HydrophobicContact CZ-CB 3.83Å; I426-N428 VanDerWaalsContact C-N 3.34Å; I426-N428 PolarHBondContact O-N 2.77Å; I426-L429 WeakPolarHBondContact O-CB 3.48Å; I426-L429 PolarHBondContact O-N 3.15Å; I426-L429 VanDerWaalsContact O-N 3.13Å; I426-K430 PolarHBondContact O-N 3.4Å
427	Q	81.6	Confident	82.1	Confident	61 Å²	61	55.8 Å²	55.8	29%	0.285	30%	0.298	S	S	.	.	H	α-helix	trans	-60.4	-41.8	175.7	-67	155.2	-32.2	0	0	111.8	D385 R425 L429 K430 Q431	D385-Q427 PolarHBondContact OD1-NE2 2.84Å; D385-Q427 PolarHBondContact OD2-NE2 3.04Å; R425-Q427 PolarHBondContact O-N 3.21Å; Q427-L429 PolarHBondContact O-N 2.89Å; Q427-K430 PolarHBondContact O-N 3.47Å; Q427-Q431 WeakPolarHBondContact O-CB 3.49Å; Q427-Q431 PolarHBondContact O-N 3.16Å
428	N	83.6	Confident	82.3	Confident	64 Å²	64	52.8 Å²	52.8	34%	0.342	29%	0.287	S	S	.	.	H	α-helix	trans	-63.3	-32.5	177.7	-72.6	-32.5	0	0	0	111.7	F423 R425 I426 H432	F423-N428 HydrophobicContact CB-CB 4.13Å; F423-N428 HydrophobicContact CD1-CB 3.77Å; F423-N428 HydrophobicContact CG-CB 4.17Å; R425-N428 WeakPolarHBondContact O-CB 3.35Å; R425-N428 PolarHBondContact O-N 3.15Å; I426-N428 VanDerWaalsContact C-N 3.34Å; I426-N428 PolarHBondContact O-N 2.77Å; N428-H432 VanDerWaalsContact O-CB 3.24Å; N428-H432 WeakPolarHBondContact O-CB 3.29Å; N428-H432 PolarHBondContact O-N 3.01Å
429	L	84.8	Confident	82.5	Confident	6 Å²	6	51.4 Å²	51.4	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-71.5	-50.7	170.8	175	58.2	0	0	0	111.9	F414 Q415 C416 F423 R425 I426 Q427 Q431 H432 M433	F414-L429 HydrophobicContact CB-CB 4.41Å; F414-L429 HydrophobicContact CB-CD2 4.07Å; Q415-L429 WeakPolarHBondContact O-CD2 3.29Å; C416-L429 HydrophobicContact CB-CD1 3.88Å; F423-L429 HydrophobicContact CD2-CB 3.97Å; F423-L429 HydrophobicContact CD2-CD1 4.1Å; F423-L429 HydrophobicContact CE2-CD1 4.1Å; F423-L429 HydrophobicContact CG-CB 4.47Å; R425-L429 PolarHBondContact O-N 3.26Å; I426-L429 WeakPolarHBondContact O-CB 3.48Å; I426-L429 PolarHBondContact O-N 3.15Å; I426-L429 VanDerWaalsContact O-N 3.13Å; Q427-L429 PolarHBondContact O-N 2.89Å; L429-Q431 VanDerWaalsContact C-N 3.27Å; L429-Q431 PolarHBondContact O-N 3.04Å; L429-H432 WeakPolarHBondContact O-CB 3.49Å; L429-H432 PolarHBondContact O-N 3.18Å; L429-M433 HydrophobicContact CD1-CG 4.12Å; L429-M433 HydrophobicContact CD1-SD 4.29Å; L429-M433 WeakPolarHBondContact O-CG 3.33Å; L429-M433 PolarHBondContact O-N 3.16Å
430	K	83.6	Confident	82.6	Confident	59 Å²	59	53.8 Å²	53.8	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-49.3	-50.2	173.8	-75.3	-171	177.9	-176	0	110.7	E389 Y393 L397 I426 Q427 H432 M433	E389-K430 IonicContact OE1-NZ 2.77Å; E389-K430 PolarHBondContact OE1-NZ 2.98Å; Y393-K430 HydrophobicContact CE1-CB 4.49Å; L397-K430 HydrophobicContact CD1-CG 4.3Å; I426-K430 PolarHBondContact O-N 3.4Å; Q427-K430 PolarHBondContact O-N 3.47Å; K430-H432 VanDerWaalsContact C-N 3.34Å; K430-H432 PolarHBondContact O-N 2.84Å; K430-M433 PolarHBondContact O-N 3.19Å
431	Q	83.1	Confident	82.6	Confident	28 Å²	28	53.8 Å²	53.8	13%	0.131	27%	0.273	C	S	.	.	H	α-helix	trans	-67	-28.9	179.4	177	58.9	96.9	0	0	113.4	Q427 L429 T452 R453	Q427-Q431 WeakPolarHBondContact O-CB 3.49Å; Q427-Q431 PolarHBondContact O-N 3.16Å; L429-Q431 VanDerWaalsContact C-N 3.27Å; L429-Q431 PolarHBondContact O-N 3.04Å; Q431-T452 PolarHBondContact NE2-O 3.24Å; Q431-T452 PolarHBondContact OE1-O 3.46Å; Q431-R453 HydrophobicContact CG-CG 4.3Å
432	H	84.6	Confident	82.7	Confident	25 Å²	25	51 Å²	51	12%	0.116	26%	0.256	C	S	.	.	H	α-helix	trans	-73.7	-36.9	172.8	175	80.8	0	0	0	112.2	C416 C419 F423 N428 L429 K430 L434 I435 H436	C416-H432 VanDerWaalsContact SG-CD2 3.55Å; C419-H432 PolarHBondContact SG-NE2 3.44Å; F423-H432 HydrophobicContact CE1-CB 4.16Å; F423-H432 HydrophobicContact CE2-CB 3.95Å; F423-H432 AromaticContact CE2-CD2 3.91Å; F423-H432 AromaticContact CE2-CG 3.86Å; F423-H432 HydrophobicContact CZ-CB 3.5Å; F423-H432 AromaticContact CZ-CD2 3.86Å; F423-H432 AromaticContact CZ-CG 3.39Å; F423-H432 AromaticContact CZ-ND1 3.66Å; N428-H432 VanDerWaalsContact O-CB 3.24Å; N428-H432 WeakPolarHBondContact O-CB 3.29Å; N428-H432 PolarHBondContact O-N 3.01Å; L429-H432 WeakPolarHBondContact O-CB 3.49Å; L429-H432 PolarHBondContact O-N 3.18Å; K430-H432 VanDerWaalsContact C-N 3.34Å; K430-H432 PolarHBondContact O-N 2.84Å; H432-L434 PolarHBondContact O-N 2.85Å; H432-I435 VanDerWaalsContact O-CB 3.27Å; H432-I435 WeakPolarHBondContact O-CB 3.49Å; H432-I435 WeakPolarHBondContact O-CG1 3.26Å; H432-I435 PolarHBondContact O-N 2.97Å; H432-H436 AromaticContact CD2-CD2 3.99Å; H432-H436 AromaticContact CD2-NE2 3.65Å; H432-H436 AromaticContact CE1-NE2 3.77Å; H432-H436 AromaticContact NE2-CD2 3.77Å; H432-H436 AromaticContact NE2-CE1 3.94Å; H432-H436 AromaticContact NE2-NE2 2.97Å; H432-H436 PolarHBondContact NE2-NE2 2.87Å
433	M	83.4	Confident	82.9	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.015	26%	0.258	C	S	.	.	H	α-helix	trans	-63.2	-23.4	179	-66.2	-59.6	-64.2	0	0	113.6	L397 P417 L429 K430 I435 H436 S437	L397-M433 HydrophobicContact CD1-CG 4.28Å; L397-M433 HydrophobicContact CD2-CE 4.04Å; L397-M433 HydrophobicContact CD2-CG 3.92Å; P417-M433 HydrophobicContact CG-CE 4.19Å; P417-M433 HydrophobicContact CG-SD 4.43Å; L429-M433 HydrophobicContact CD1-CG 4.12Å; L429-M433 HydrophobicContact CD1-SD 4.29Å; L429-M433 WeakPolarHBondContact O-CG 3.33Å; L429-M433 PolarHBondContact O-N 3.16Å; K430-M433 PolarHBondContact O-N 3.19Å; M433-I435 PolarHBondContact O-N 2.85Å; M433-H436 PolarHBondContact O-N 3.08Å; M433-H436 VanDerWaalsContact O-N 3.17Å; M433-S437 PolarHBondContact O-N 3.02Å; M433-S437 PolarHBondContact O-OG 3.02Å
434	L	84.1	Confident	83.2	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-18.3	169.8	-67	177.9	0	0	0	113.9	L388 Y393 H432 S437 G438 I439 P441	L388-L434 HydrophobicContact CD2-CD1 4.46Å; Y393-L434 HydrophobicContact CD1-CD2 4.2Å; Y393-L434 HydrophobicContact CE1-CD1 4.42Å; Y393-L434 HydrophobicContact CE1-CD2 3.61Å; Y393-L434 HydrophobicContact CE1-CG 3.84Å; H432-L434 PolarHBondContact O-N 2.85Å; L434-S437 WeakPolarHBondContact CA-OG 3.25Å; L434-G438 PolarHBondContact O-N 3.07Å; L434-I439 HydrophobicContact CD2-CB 3.9Å; L434-I439 HydrophobicContact CD2-CG2 3.92Å; L434-I439 PolarHBondContact O-N 2.88Å; L434-P441 HydrophobicContact CD1-CG 4.21Å
435	I	81.9	Confident	83.3	Confident	91 Å²	91	52 Å²	52	47%	0.467	26%	0.264	S	S	.	.	H	α-helix	trans	-76.1	-43.7	174.4	-55.8	174.4	0	0	0	110.1	H432 M433 G438	H432-I435 VanDerWaalsContact O-CB 3.27Å; H432-I435 WeakPolarHBondContact O-CB 3.49Å; H432-I435 WeakPolarHBondContact O-CG1 3.26Å; H432-I435 PolarHBondContact O-N 2.97Å; M433-I435 PolarHBondContact O-N 2.85Å; I435-G438 PolarHBondContact O-N 2.92Å
436	H	79.6	Confident	83.4	Confident	68 Å²	68	53.6 Å²	53.6	32%	0.315	27%	0.27	S	S	.	.	H	α-helix	trans	-74.2	-38.5	-178.7	-61	-57.5	0	0	0	112.8	C416 T418 C419 H432 M433 G438	C416-H436 PolarHBondContact SG-NE2 2.92Å; C416-H436 VanDerWaalsContact SG-NE2 3.42Å; T418-H436 HydrophobicContact CG2-CB 4.18Å; C419-H436 PolarHBondContact SG-NE2 2.82Å; H432-H436 AromaticContact CD2-CD2 3.99Å; H432-H436 AromaticContact CD2-NE2 3.65Å; H432-H436 AromaticContact CE1-NE2 3.77Å; H432-H436 AromaticContact NE2-CD2 3.77Å; H432-H436 AromaticContact NE2-CE1 3.94Å; H432-H436 AromaticContact NE2-NE2 2.97Å; H432-H436 PolarHBondContact NE2-NE2 2.87Å; M433-H436 PolarHBondContact O-N 3.08Å; M433-H436 VanDerWaalsContact O-N 3.17Å; H436-G438 PolarHBondContact O-N 2.94Å
437	S	77.7	Confident	83.8	Confident	33 Å²	33	52.7 Å²	52.7	23%	0.231	27%	0.269	C	S	.	.	S	Bend	trans	-74.6	-10.4	174.5	65.6	0	0	0	0	113.7	M433 L434 I439	M433-S437 PolarHBondContact O-N 3.02Å; M433-S437 PolarHBondContact O-OG 3.02Å; L434-S437 WeakPolarHBondContact CA-OG 3.25Å; S437-I439 PolarHBondContact O-N 2.91Å; S437-I439 VanDerWaalsContact O-N 3.07Å; S437-I439 WeakPolarHBondContact OG-CG1 3.42Å; S437-I439 PolarHBondContact OG-N 3.3Å
438	G	81.1	Confident	84	Confident	43 Å²	43	51.5 Å²	51.5	44%	0.443	27%	0.274	S	S	.	.			trans	67.2	-0.5	-173.9	0	0	0	0	0	115.1	L434 I435 H436 K440	L434-G438 PolarHBondContact O-N 3.07Å; I435-G438 PolarHBondContact O-N 2.92Å; H436-G438 PolarHBondContact O-N 2.94Å; G438-K440 PolarHBondContact O-N 2.89Å
439	I	82.3	Confident	84.1	Confident	55 Å²	55	54.3 Å²	54.3	28%	0.282	28%	0.282	S	S	.	.			trans	-68.2	126.1	-174.4	-65.7	174.2	0	0	0	110.3	P394 L434 S437 P441	P394-I439 HydrophobicContact CG-CD1 3.73Å; L434-I439 HydrophobicContact CD2-CB 3.9Å; L434-I439 HydrophobicContact CD2-CG2 3.92Å; L434-I439 PolarHBondContact O-N 2.88Å; S437-I439 PolarHBondContact O-N 2.91Å; S437-I439 VanDerWaalsContact O-N 3.07Å; S437-I439 WeakPolarHBondContact OG-CG1 3.42Å; S437-I439 PolarHBondContact OG-N 3.3Å; I439-P441 WeakPolarHBondContact O-CD 3.49Å
440	K	84.9	Confident	84.3	Confident	110 Å²	110	59.8 Å²	59.8	48%	0.478	31%	0.306	S	S	.	.			trans	-122.9	83.4	-177.2	-70.9	161.8	-172.5	170.6	0	109.3	G438 F442 K450 F451 T452	G438-K440 PolarHBondContact O-N 2.89Å; K440-F442 VanDerWaalsContact C-N 3.29Å; K440-F442 PolarHBondContact O-N 3.03Å; K440-K450 HydrophobicContact CB-CB 3.53Å; K440-K450 HydrophobicContact CD-CB 4.3Å; K440-K450 HydrophobicContact CG-CB 4.49Å; K440-F451 CarbonylContact C-O 3.59Å; K440-F451 VanDerWaalsContact C-O 3.27Å; K440-F451 VanDerWaalsContact CA-O 3.25Å; K440-F451 WeakPolarHBondContact CA-O 3.38Å; K440-T452 HydrophobicContact CG-CG2 3.83Å
441	P	80.6	Confident	84.4	Confident	35 Å²	35	59.2 Å²	59.2	23%	0.227	30%	0.304	C	S	.	.			trans	-77.7	-15.1	-170.4	31.2	-33.2	0	0	0	113.2	I391 L434 I439 Q443 F451	I391-P441 HydrophobicContact CD1-CB 3.48Å; I391-P441 VanDerWaalsContact CD1-CB 3.48Å; I391-P441 HydrophobicContact CD1-CG 3.69Å; I391-P441 HydrophobicContact CG1-CB 4.29Å; L434-P441 HydrophobicContact CD1-CG 4.21Å; I439-P441 WeakPolarHBondContact O-CD 3.49Å; P441-Q443 PolarHBondContact O-N 3.07Å; P441-F451 WeakPolarHBondContact CD-O 3.2Å
442	F	85.1	Confident	84.4	Confident	8 Å²	8	59.4 Å²	59.4	4%	0.035	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	93.7	-180	-58.3	-78.2	0	0	0	110.1	R387 L388 K440 K450 F451 A454 L457	R387-F442 HydrophobicContact CG-CE1 4.42Å; L388-F442 HydrophobicContact CD2-CE2 4.38Å; L388-F442 HydrophobicContact CD2-CZ 4.19Å; L388-F442 HydrophobicContact CG-CZ 4.43Å; K440-F442 VanDerWaalsContact C-N 3.29Å; K440-F442 PolarHBondContact O-N 3.03Å; F442-K450 CarbonylContact O-C 3.27Å; F442-K450 WeakPolarHBondContact O-CA 3.47Å; F442-F451 HydrophobicContact CB-CB 4.26Å; F442-F451 PolarHBondContact N-O 3.27Å; F442-F451 PolarHBondContact O-N 2.9Å; F442-A454 HydrophobicContact CD1-CB 4.03Å; F442-A454 HydrophobicContact CE1-CB 3.63Å; F442-A454 HydrophobicContact CE2-CB 4.47Å; F442-A454 HydrophobicContact CZ-CB 3.88Å; F442-L457 HydrophobicContact CB-CB 4.03Å; F442-L457 HydrophobicContact CB-CD2 3.89Å
443	Q	88.4	Confident	84.4	Confident	84 Å²	84	64.1 Å²	64.1	39%	0.393	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	147.3	175.1	-175.8	163.4	-40.6	0	0	111.4	P441 K449 K450 L457	P441-Q443 PolarHBondContact O-N 3.07Å; Q443-K449 CarbonylContact C-O 3.55Å; Q443-K450 HydrophobicContact CB-CG 4.26Å; Q443-K450 HydrophobicContact CG-CG 4.15Å; Q443-L457 VanDerWaalsContact O-CD2 3.3Å; Q443-L457 WeakPolarHBondContact O-CD2 3.35Å
444	C	88.7	Confident	84.4	Confident	1 Å²	1	65 Å²	65	1%	0.007	33%	0.331	C	S	.	.			trans	-95.1	119	172.5	-175.7	0	0	0	0	111.1	R446 C447 G448 K449 F451 L457 H464	C444-R446 PolarHBondContact O-N 3.33Å; C444-C447 PolarHBondContact O-N 3.03Å; C444-G448 WeakPolarHBondContact O-CA 3.31Å; C444-G448 PolarHBondContact O-N 3.14Å; C444-K449 WeakPolarHBondContact CB-O 3.25Å; C444-K449 PolarHBondContact N-O 3.13Å; C444-F451 HydrophobicContact CB-CE2 4.33Å; C444-L457 HydrophobicContact CB-CD1 3.54Å; C444-H464 PolarHBondContact SG-NE2 3.47Å
445	D	86.5	Confident	84.5	Confident	124 Å²	124	72.2 Å²	72.2	66%	0.663	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-40.3	-172.8	-36.8	-68.2	0	0	0	111.6	C447 R461	D445-C447 VanDerWaalsContact C-N 3.31Å; D445-C447 PolarHBondContact O-N 3.16Å; D445-R461 IonicContact OD2-NH1 3.38Å; D445-R461 PolarHBondContact OD2-NH1 2.98Å
446	R	84.3	Confident	84.7	Confident	158 Å²	158	70 Å²	70	60%	0.596	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-18.1	179.3	-73.4	-169	-179	-169.3	5.2	115.1	C444 H464	C444-R446 PolarHBondContact O-N 3.33Å; R446-H464 PolarHBondContact NH1-O 3.03Å
447	C	89.1	Confident	85.2	Confident	51 Å²	51	67.8 Å²	67.8	35%	0.345	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155.5	13.1	-174.1	76.2	0	0	0	0	117.1	C444 D445 K449 H460 H464	C444-C447 PolarHBondContact O-N 3.03Å; D445-C447 VanDerWaalsContact C-N 3.31Å; D445-C447 PolarHBondContact O-N 3.16Å; C447-K449 PolarHBondContact O-N 2.94Å; C447-H460 PolarHBondContact SG-NE2 3.26Å; C447-H464 VanDerWaalsContact SG-CE1 3.54Å; C447-H464 PolarHBondContact SG-NE2 3.37Å
448	G	85.9	Confident	85.7	Confident	36 Å²	36	73.1 Å²	73.1	37%	0.371	36%	0.362	S	S	.	.			trans	68.8	-6.8	176.2	0	0	0	0	0	116.7	C444 K450	C444-G448 WeakPolarHBondContact O-CA 3.31Å; C444-G448 PolarHBondContact O-N 3.14Å; G448-K450 WeakPolarHBondContact O-CG 3.47Å; G448-K450 PolarHBondContact O-N 3.04Å
449	K	87.3	Confident	86	Confident	122 Å²	122	74.4 Å²	74.4	53%	0.53	36%	0.357	S	S	.	.			trans	-64.6	128.2	-177	-69.4	175.2	-170.5	166.3	0	110.8	Q443 C444 C447 F451	Q443-K449 CarbonylContact C-O 3.55Å; C444-K449 WeakPolarHBondContact CB-O 3.25Å; C444-K449 PolarHBondContact N-O 3.13Å; C447-K449 PolarHBondContact O-N 2.94Å; K449-F451 HydrophobicContact CB-CE2 3.84Å; K449-F451 HydrophobicContact CB-CZ 4.04Å; K449-F451 VanDerWaalsContact O-CE2 3.29Å; K449-F451 WeakPolarHBondContact O-CE2 3.49Å
450	K	88.5	Confident	86.3	Confident	121 Å²	121	72.9 Å²	72.9	53%	0.526	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	141	-177.5	-43.7	-162.2	-167.5	-141.3	0	112.2	K440 F442 Q443 G448	K440-K450 HydrophobicContact CB-CB 3.53Å; K440-K450 HydrophobicContact CD-CB 4.3Å; K440-K450 HydrophobicContact CG-CB 4.49Å; F442-K450 CarbonylContact O-C 3.27Å; F442-K450 WeakPolarHBondContact O-CA 3.47Å; Q443-K450 HydrophobicContact CB-CG 4.26Å; Q443-K450 HydrophobicContact CG-CG 4.15Å; G448-K450 WeakPolarHBondContact O-CG 3.47Å; G448-K450 PolarHBondContact O-N 3.04Å
451	F	84.8	Confident	86.3	Confident	47 Å²	47	73.3 Å²	73.3	21%	0.206	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	154.1	-175.7	-58.7	-90.7	0	0	0	111.2	K440 P441 F442 C444 K449 L457 H460	K440-F451 CarbonylContact C-O 3.59Å; K440-F451 VanDerWaalsContact C-O 3.27Å; K440-F451 VanDerWaalsContact CA-O 3.25Å; K440-F451 WeakPolarHBondContact CA-O 3.38Å; P441-F451 WeakPolarHBondContact CD-O 3.2Å; F442-F451 HydrophobicContact CB-CB 4.26Å; F442-F451 PolarHBondContact N-O 3.27Å; F442-F451 PolarHBondContact O-N 2.9Å; C444-F451 HydrophobicContact CB-CE2 4.33Å; K449-F451 HydrophobicContact CB-CE2 3.84Å; K449-F451 HydrophobicContact CB-CZ 4.04Å; K449-F451 VanDerWaalsContact O-CE2 3.29Å; K449-F451 WeakPolarHBondContact O-CE2 3.49Å; F451-L457 HydrophobicContact CD2-CB 4.15Å; F451-L457 HydrophobicContact CD2-CD1 4.12Å; F451-L457 HydrophobicContact CE2-CD1 4.27Å; F451-H460 HydrophobicContact CE1-CB 4.21Å; F451-H460 HydrophobicContact CE2-CB 4.05Å; F451-H460 AromaticContact CE2-CD2 3.36Å; F451-H460 WeakPolarHBondContact CE2-CD2 3.18Å; F451-H460 AromaticContact CE2-CG 3.88Å; F451-H460 HydrophobicContact CZ-CB 3.65Å; F451-H460 AromaticContact CZ-CD2 3.32Å; F451-H460 WeakPolarHBondContact CZ-CD2 3.21Å; F451-H460 AromaticContact CZ-CG 3.46Å; F451-H460 VanDerWaalsContact CZ-CG 3.46Å
452	T	83.3	Confident	86.6	Confident	33 Å²	33	75.4 Å²	75.4	20%	0.202	36%	0.356	C	S	.	.	S	Bend	trans	-83.3	-15.9	176.1	50.5	0	0	0	0	113.5	Q431 K440	Q431-T452 PolarHBondContact NE2-O 3.24Å; Q431-T452 PolarHBondContact OE1-O 3.46Å; K440-T452 HydrophobicContact CG-CG2 3.83Å
453	R	84.4	Confident	86.5	Confident	123 Å²	123	81.7 Å²	81.7	46%	0.464	38%	0.383	S	S	.	.	S	Bend	trans	-133.6	141.6	-174	-66.5	178.3	-179.8	-173.1	0.3	112.2	Q431 S456 L457	Q431-R453 HydrophobicContact CG-CG 4.3Å; R453-S456 WeakPolarHBondContact O-CB 3.43Å; R453-S456 PolarHBondContact O-N 3.49Å; R453-L457 PolarHBondContact O-N 2.9Å
454	A	83.4	Confident	86	Confident	21 Å²	21	79.3 Å²	79.3	17%	0.174	37%	0.372	C	S	.	.	H	α-helix	trans	-57	-50.5	175	0	0	0	0	0	112.7	D384 F442 S456 L457 K458	D384-A454 WeakPolarHBondContact OD1-CB 3.46Å; F442-A454 HydrophobicContact CD1-CB 4.03Å; F442-A454 HydrophobicContact CE1-CB 3.63Å; F442-A454 HydrophobicContact CE2-CB 4.47Å; F442-A454 HydrophobicContact CZ-CB 3.88Å; A454-S456 PolarHBondContact O-N 2.84Å; A454-L457 CarbonylContact O-C 3.56Å; A454-L457 WeakPolarHBondContact O-CA 3.01Å; A454-L457 WeakPolarHBondContact O-CB 3.39Å; A454-L457 PolarHBondContact O-N 3.46Å; A454-K458 PolarHBondContact O-N 2.93Å
455	Y	86.1	Confident	85	Confident	152 Å²	152	83 Å²	83	60%	0.596	39%	0.389	S	S	*	.	H	α-helix	trans	-53.9	-38.5	176	176.9	-100	0	0	0	113.3	L457 K458 M459	Y455-L457 VanDerWaalsContact C-N 3.35Å; Y455-K458 PolarHBondContact O-N 2.93Å; Y455-M459 HydrophobicContact CD1-CG 4.16Å; Y455-M459 HydrophobicContact CD2-CG 4.26Å; Y455-M459 HydrophobicContact CE1-CG 3.65Å; Y455-M459 HydrophobicContact CE2-CE 3.92Å; Y455-M459 HydrophobicContact CE2-CG 3.76Å; Y455-M459 HydrophobicContact CE2-SD 4.15Å; Y455-M459 HydrophobicContact CG-CG 4.44Å; Y455-M459 VanDerWaalsContact CZ-CG 3.43Å; Y455-M459 WeakPolarHBondContact O-CB 3.43Å; Y455-M459 WeakPolarHBondContact O-CG 3.47Å; Y455-M459 PolarHBondContact O-N 2.83Å
456	S	87	Confident	83.8	Confident	44 Å²	44	82 Å²	82	31%	0.308	39%	0.388	S	S	.	.	H	α-helix	trans	-68.4	-33.3	177.5	-59.7	0	0	0	0	112.7	R453 A454 H460	R453-S456 WeakPolarHBondContact O-CB 3.43Å; R453-S456 PolarHBondContact O-N 3.49Å; A454-S456 PolarHBondContact O-N 2.84Å; S456-H460 WeakPolarHBondContact O-CB 3.36Å; S456-H460 PolarHBondContact O-N 2.66Å; S456-H460 VanDerWaalsContact O-N 3.16Å
457	L	90.2	Very high	82.5	Confident	22 Å²	22	80.8 Å²	80.8	12%	0.115	39%	0.392	C	S	.	.	H	α-helix	trans	-69.9	-43.4	169.6	172.6	61.5	0	0	0	111.4	F442 Q443 C444 F451 R453 A454 Y455 H460 R461	F442-L457 HydrophobicContact CB-CB 4.03Å; F442-L457 HydrophobicContact CB-CD2 3.89Å; Q443-L457 VanDerWaalsContact O-CD2 3.3Å; Q443-L457 WeakPolarHBondContact O-CD2 3.35Å; C444-L457 HydrophobicContact CB-CD1 3.54Å; F451-L457 HydrophobicContact CD2-CB 4.15Å; F451-L457 HydrophobicContact CD2-CD1 4.12Å; F451-L457 HydrophobicContact CE2-CD1 4.27Å; R453-L457 PolarHBondContact O-N 2.9Å; A454-L457 CarbonylContact O-C 3.56Å; A454-L457 WeakPolarHBondContact O-CA 3.01Å; A454-L457 WeakPolarHBondContact O-CB 3.39Å; A454-L457 PolarHBondContact O-N 3.46Å; Y455-L457 VanDerWaalsContact C-N 3.35Å; L457-H460 CarbonylContact O-C 3.55Å; L457-H460 WeakPolarHBondContact O-CA 3.24Å; L457-H460 WeakPolarHBondContact O-CB 3.49Å; L457-H460 PolarHBondContact O-N 3.4Å; L457-R461 HydrophobicContact CD1-CG 4.13Å; L457-R461 PolarHBondContact O-N 3.34Å
458	K	87.8	Confident	80.8	Confident	145 Å²	145	82.2 Å²	82.2	63%	0.63	40%	0.402	S	S	*	.	H	α-helix	trans	-58.1	-51.5	177.5	-166.6	169.1	-175.3	170.5	0	111	A454 Y455 H460 R461 L462	A454-K458 PolarHBondContact O-N 2.93Å; Y455-K458 PolarHBondContact O-N 2.93Å; K458-H460 PolarHBondContact O-N 3.44Å; K458-R461 PolarHBondContact O-N 2.23Å; K458-R461 VanDerWaalsContact O-N 3.12Å; K458-L462 PolarHBondContact O-N 3.39Å
459	M	87.1	Confident	79	Confident	71 Å²	71	84.3 Å²	84.3	35%	0.35	41%	0.411	S	S	.	.	H	α-helix	trans	-63.3	-21	173.7	-69.5	-63.5	107.8	0	0	114.1	Y455 L462	Y455-M459 HydrophobicContact CD1-CG 4.16Å; Y455-M459 HydrophobicContact CD2-CG 4.26Å; Y455-M459 HydrophobicContact CE1-CG 3.65Å; Y455-M459 HydrophobicContact CE2-CE 3.92Å; Y455-M459 HydrophobicContact CE2-CG 3.76Å; Y455-M459 HydrophobicContact CE2-SD 4.15Å; Y455-M459 HydrophobicContact CG-CG 4.44Å; Y455-M459 VanDerWaalsContact CZ-CG 3.43Å; Y455-M459 WeakPolarHBondContact O-CB 3.43Å; Y455-M459 WeakPolarHBondContact O-CG 3.47Å; Y455-M459 PolarHBondContact O-N 2.83Å; M459-L462 HydrophobicContact CE-CD1 3.53Å; M459-L462 HydrophobicContact SD-CD1 4.18Å
460	H	88.3	Confident	76.9	Confident	23 Å²	23	83.3 Å²	83.3	11%	0.106	42%	0.418	C	S	.	.	H	α-helix	trans	-81.9	-38.1	171.9	179.6	39.7	0	0	0	112.5	C447 F451 S456 L457 K458 L462 K463 H464	C447-H460 PolarHBondContact SG-NE2 3.26Å; F451-H460 HydrophobicContact CE1-CB 4.21Å; F451-H460 HydrophobicContact CE2-CB 4.05Å; F451-H460 AromaticContact CE2-CD2 3.36Å; F451-H460 WeakPolarHBondContact CE2-CD2 3.18Å; F451-H460 AromaticContact CE2-CG 3.88Å; F451-H460 HydrophobicContact CZ-CB 3.65Å; F451-H460 AromaticContact CZ-CD2 3.32Å; F451-H460 WeakPolarHBondContact CZ-CD2 3.21Å; F451-H460 AromaticContact CZ-CG 3.46Å; F451-H460 VanDerWaalsContact CZ-CG 3.46Å; S456-H460 WeakPolarHBondContact O-CB 3.36Å; S456-H460 PolarHBondContact O-N 2.66Å; S456-H460 VanDerWaalsContact O-N 3.16Å; L457-H460 CarbonylContact O-C 3.55Å; L457-H460 WeakPolarHBondContact O-CA 3.24Å; L457-H460 WeakPolarHBondContact O-CB 3.49Å; L457-H460 PolarHBondContact O-N 3.4Å; K458-H460 PolarHBondContact O-N 3.44Å; H460-L462 PolarHBondContact O-N 3.05Å; H460-K463 WeakPolarHBondContact O-CB 3.39Å; H460-K463 PolarHBondContact O-N 2.87Å; H460-K463 VanDerWaalsContact O-N 3.08Å; H460-H464 AromaticContact CD2-NE2 3.84Å; H460-H464 AromaticContact CE1-CE1 3.71Å; H460-H464 AromaticContact CE1-NE2 3.25Å; H460-H464 PolarHBondContact CE1-NE2 3.33Å; H460-H464 VanDerWaalsContact CE1-NE2 3.25Å; H460-H464 AromaticContact NE2-CE1 3.79Å; H460-H464 AromaticContact NE2-NE2 3.07Å; H460-H464 PolarHBondContact NE2-NE2 3.04Å
461	R	86.3	Confident	75	Confident	118 Å²	118	82.6 Å²	82.6	45%	0.445	43%	0.426	S	S	.	.	H	α-helix	trans	-59.8	-44.3	177	-75.6	175.9	62	143.1	-10	112.1	D445 L457 K458 K463 H464 E465	D445-R461 IonicContact OD2-NH1 3.38Å; D445-R461 PolarHBondContact OD2-NH1 2.98Å; L457-R461 HydrophobicContact CD1-CG 4.13Å; L457-R461 PolarHBondContact O-N 3.34Å; K458-R461 PolarHBondContact O-N 2.23Å; K458-R461 VanDerWaalsContact O-N 3.12Å; R461-K463 PolarHBondContact O-N 3.01Å; R461-H464 WeakPolarHBondContact O-CB 3.42Å; R461-H464 PolarHBondContact O-N 3.36Å; R461-E465 PolarHBondContact O-N 2.98Å
462	L	86.9	Confident	73.5	Confident	79 Å²	79	87.7 Å²	87.7	41%	0.414	46%	0.461	S	S	.	.	H	α-helix	trans	-52.6	-31.4	173.3	-61.1	-177.5	0	0	0	113.3	K458 M459 H460 H464 E465 V466	K458-L462 PolarHBondContact O-N 3.39Å; M459-L462 HydrophobicContact CE-CD1 3.53Å; M459-L462 HydrophobicContact SD-CD1 4.18Å; H460-L462 PolarHBondContact O-N 3.05Å; L462-H464 VanDerWaalsContact C-N 3.34Å; L462-E465 WeakPolarHBondContact CD2-OE2 3.29Å; L462-E465 PolarHBondContact O-N 3.02Å; L462-V466 WeakPolarHBondContact O-CG2 3.41Å; L462-V466 PolarHBondContact O-N 3.08Å
463	K	81.4	Confident	71.5	Confident	140 Å²	140	95.3 Å²	95.3	61%	0.609	51%	0.508	S	S	*	.	H	α-helix	trans	-74.1	-23.3	178.2	-60.6	-172.4	-179.4	-167.5	0	113.4	H460 R461 I467	H460-K463 WeakPolarHBondContact O-CB 3.39Å; H460-K463 PolarHBondContact O-N 2.87Å; H460-K463 VanDerWaalsContact O-N 3.08Å; R461-K463 PolarHBondContact O-N 3.01Å; K463-I467 VanDerWaalsContact O-CD1 3.25Å; K463-I467 WeakPolarHBondContact O-CD1 3.47Å; K463-I467 WeakPolarHBondContact O-CG1 3.3Å
464	H	79.5	Confident	70.9	Confident	35 Å²	35	93.9 Å²	93.9	16%	0.162	51%	0.51	C	S	.	.	H	α-helix	trans	-78.2	-31.2	169.3	-62.1	-66.2	0	0	0	111.6	C444 R446 C447 H460 R461 L462 S468	C444-H464 PolarHBondContact SG-NE2 3.47Å; R446-H464 PolarHBondContact NH1-O 3.03Å; C447-H464 VanDerWaalsContact SG-CE1 3.54Å; C447-H464 PolarHBondContact SG-NE2 3.37Å; H460-H464 AromaticContact CD2-NE2 3.84Å; H460-H464 AromaticContact CE1-CE1 3.71Å; H460-H464 AromaticContact CE1-NE2 3.25Å; H460-H464 PolarHBondContact CE1-NE2 3.33Å; H460-H464 VanDerWaalsContact CE1-NE2 3.25Å; H460-H464 AromaticContact NE2-CE1 3.79Å; H460-H464 AromaticContact NE2-NE2 3.07Å; H460-H464 PolarHBondContact NE2-NE2 3.04Å; R461-H464 WeakPolarHBondContact O-CB 3.42Å; R461-H464 PolarHBondContact O-N 3.36Å; L462-H464 VanDerWaalsContact C-N 3.34Å; H464-S468 PolarHBondContact O-N 2.6Å; H464-S468 VanDerWaalsContact O-N 3.14Å; H464-S468 PolarHBondContact O-OG 3.29Å; H464-S468 VanDerWaalsContact O-OG 3.06Å
465	E	67.3	Low	70.2	Confident	78 Å²	78	97.7 Å²	97.7	36%	0.364	53%	0.528	S	S	.	.	H	α-helix	trans	-71.2	-46.1	179.1	-71.3	147.6	-147.8	0	0	111.3	R461 L462 I467 S468 S469	R461-E465 PolarHBondContact O-N 2.98Å; L462-E465 WeakPolarHBondContact CD2-OE2 3.29Å; L462-E465 PolarHBondContact O-N 3.02Å; E465-I467 PolarHBondContact O-N 2.92Å; E465-S468 WeakPolarHBondContact CA-OG 3.39Å; E465-S468 PolarHBondContact O-N 2.97Å; E465-S468 PolarHBondContact O-OG 3.44Å; E465-S469 PolarHBondContact O-N 3Å
466	V	61.8	Low	69.4	Low	103 Å²	103	94.7 Å²	94.7	62%	0.624	52%	0.524	S	S	*	.	H	α-helix	trans	-64.2	-24.6	174.2	173.1	0	0	0	0	113.2	L462 S469	L462-V466 WeakPolarHBondContact O-CG2 3.41Å; L462-V466 PolarHBondContact O-N 3.08Å; V466-S469 PolarHBondContact O-OG 2.99Å; V466-S469 VanDerWaalsContact O-OG 3.07Å
467	I	56.5	Low	68.3	Low	133 Å²	133	97.7 Å²	97.7	68%	0.682	54%	0.537	S	S	*	.	H	α-helix	trans	-81.7	-29.3	173.3	-69.4	170.9	0	0	0	111.3	K463 E465 S469	K463-I467 VanDerWaalsContact O-CD1 3.25Å; K463-I467 WeakPolarHBondContact O-CD1 3.47Å; K463-I467 WeakPolarHBondContact O-CG1 3.3Å; E465-I467 PolarHBondContact O-N 2.92Å; I467-S469 VanDerWaalsContact C-N 3.29Å; I467-S469 PolarHBondContact O-N 3.14Å
468	S	53.2	Low	67	Low	80 Å²	80	102.4 Å²	102.4	56%	0.559	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-3.7	173.2	49	0	0	0	0	114.7	H464 E465	H464-S468 PolarHBondContact O-N 2.6Å; H464-S468 VanDerWaalsContact O-N 3.14Å; H464-S468 PolarHBondContact O-OG 3.29Å; H464-S468 VanDerWaalsContact O-OG 3.06Å; E465-S468 WeakPolarHBondContact CA-OG 3.39Å; E465-S468 PolarHBondContact O-N 2.97Å; E465-S468 PolarHBondContact O-OG 3.44Å
469	S	49	Very low	65.6	Low	81 Å²	81	99.6 Å²	99.6	57%	0.566	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	19.6	179.2	65.7	0	0	0	0	114.5	E465 V466 I467 P471	E465-S469 PolarHBondContact O-N 3Å; V466-S469 PolarHBondContact O-OG 2.99Å; V466-S469 VanDerWaalsContact O-OG 3.07Å; I467-S469 VanDerWaalsContact C-N 3.29Å; I467-S469 PolarHBondContact O-N 3.14Å; S469-P471 VanDerWaalsContact O-CD 3.24Å; S469-P471 WeakPolarHBondContact O-CD 3.36Å
470	C	41.6	Very low	64	Low	100 Å²	100	101.6 Å²	101.6	68%	0.676	57%	0.573	S	S	*	*			trans	-86.2	105.2	160.7	-71	0	0	0	0	108.4	T472	C470-T472 PolarHBondContact O-N 2.59Å
471	P	49.7	Very low	62.2	Low	107 Å²	107	107.7 Å²	107.7	70%	0.695	61%	0.609	S	S	*	*			trans	-64.9	131.9	168	28.8	-33.5	0	0	0	108.9	S469 T473	S469-P471 VanDerWaalsContact O-CD 3.24Å; S469-P471 WeakPolarHBondContact O-CD 3.36Å; P471-T473 HydrophobicContact CB-CG2 4.44Å; P471-T473 PolarHBondContact O-N 3.03Å
472	T	52.7	Low	60.1	Low	153 Å²	153	106.8 Å²	106.8	94%	0.939	62%	0.623	S	S	*	*			trans	-74.1	108.7	170.9	-42.3	0	0	0	0	108.4	C470	C470-T472 PolarHBondContact O-N 2.59Å
473	T	42.2	Very low	57.7	Low	193 Å²	193	109.4 Å²	109.4	100%	1.184	64%	0.642	S	S	*	*			trans	-121.3	0	174.4	59.8	0	0	0	0	109.6	P471	P471-T473 HydrophobicContact CB-CG2 4.44Å; P471-T473 PolarHBondContact O-N 3.03Å

Retrieved 473 of 473 residues in 57.3 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).