A0A087WXA8_HUMAN Loading...

Zinc finger protein 630

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087WXA8, Species HUMAN (Homo sapiens, Human), Gene ZNF630, Length 643 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.8	Very low	57.3	Low	150 Å²	150	96.5 Å²	96.5	74%	0.739	47%	0.474	S	S	*	.				0	133.3	0	-75.8	-179	-67.4	0	0	105.4	E3 M23	M1-E3 WeakPolarHBondContact O-CG 2.9Å; M1-E3 PolarHBondContact O-N 3.49Å; M1-E3 VanDerWaalsContact O-N 3.16Å; M1-M23 HydrophobicContact SD-SD 3.61Å; M1-M23 VanDerWaalsContact SD-SD 3.61Å
2	V	43.1	Very low	58.6	Low	45 Å²	45	95 Å²	95	27%	0.273	47%	0.469	S	S	.	.			trans	-38.5	116.7	-177.2	162.7	0	0	0	0	111.4	G4 E7 W8 L11	V2-G4 WeakPolarHBondContact CG1-O 3.42Å; V2-E7 VanDerWaalsContact CA-OE2 3.26Å; V2-E7 WeakPolarHBondContact CA-OE2 3.44Å; V2-E7 HydrophobicContact CB-CB 4.26Å; V2-E7 HydrophobicContact CG1-CB 3.3Å; V2-E7 HydrophobicContact CG1-CG 4.46Å; V2-E7 HydrophobicContact CG2-CB 4.24Å; V2-W8 HydrophobicContact CG1-CB 4.42Å; V2-L11 HydrophobicContact CG2-CD1 4.13Å; V2-L11 HydrophobicContact CG2-CD2 4.35Å; V2-L11 HydrophobicContact CG2-CG 4.5Å
3	E	40.7	Very low	59.4	Low	183 Å²	183	95.7 Å²	95.7	86%	0.855	49%	0.485	S	S	*	.			trans	-96.5	-1.7	-168.8	-64	-166.6	160.2	0	0	112.5	M1 E7	M1-E3 WeakPolarHBondContact O-CG 2.9Å; M1-E3 PolarHBondContact O-N 3.49Å; M1-E3 VanDerWaalsContact O-N 3.16Å; E3-E7 PolarHBondContact N-OE2 3.4Å
4	G	57.8	Low	59.6	Low	24 Å²	24	93.9 Å²	93.9	25%	0.247	49%	0.492	C	S	.	.	S	Bend	trans	-144.7	159.8	-179.1	0	0	0	0	0	116.2	V2 E6 E7 W8	V2-G4 WeakPolarHBondContact CG1-O 3.42Å; G4-E6 VanDerWaalsContact C-N 3.33Å; G4-E6 PolarHBondContact O-N 3.35Å; G4-E7 PolarHBondContact O-N 3.06Å; G4-W8 PolarHBondContact O-N 3.35Å
5	E	54.3	Low	59.8	Low	91 Å²	91	93.7 Å²	93.7	43%	0.425	49%	0.488	S	S	.	.	H	α-helix	trans	-62.1	-36.8	178.2	-176.1	176.1	-177.2	0	0	112.5	W8 Q9 W53	E5-W8 WeakPolarHBondContact O-CB 3.23Å; E5-W8 PolarHBondContact O-N 3.48Å; E5-Q9 PolarHBondContact O-N 3.42Å; E5-Q9 VanDerWaalsContact O-N 3.16Å; E5-W53 HydrophobicContact CB-CB 4.49Å; E5-W53 HydrophobicContact CB-CG 4.37Å; E5-W53 HydrophobicContact CG-CB 3.97Å; E5-W53 HydrophobicContact CG-CG 4.32Å
6	E	56.5	Low	60.8	Low	162 Å²	162	90.6 Å²	90.6	76%	0.757	47%	0.469	S	S	*	.	H	α-helix	trans	-64.9	-40.1	177.7	-64.4	-177.6	166.5	0	0	112.2	G4 W8 Q9 Q10	G4-E6 VanDerWaalsContact C-N 3.33Å; G4-E6 PolarHBondContact O-N 3.35Å; E6-W8 VanDerWaalsContact C-N 3.33Å; E6-Q9 PolarHBondContact O-N 3.46Å; E6-Q10 WeakPolarHBondContact O-CG 3.44Å; E6-Q10 PolarHBondContact O-N 3.2Å
7	E	62.7	Low	61.5	Low	96 Å²	96	89.2 Å²	89.2	45%	0.449	47%	0.466	S	S	.	.	H	α-helix	trans	-68.5	-32.2	175.3	-75.7	-175.3	164.2	0	0	111.4	V2 E3 G4 Q10 L11	V2-E7 VanDerWaalsContact CA-OE2 3.26Å; V2-E7 WeakPolarHBondContact CA-OE2 3.44Å; V2-E7 HydrophobicContact CB-CB 4.26Å; V2-E7 HydrophobicContact CG1-CB 3.3Å; V2-E7 HydrophobicContact CG1-CG 4.46Å; V2-E7 HydrophobicContact CG2-CB 4.24Å; E3-E7 PolarHBondContact N-OE2 3.4Å; G4-E7 PolarHBondContact O-N 3.06Å; E7-Q10 PolarHBondContact O-N 3.07Å; E7-L11 WeakPolarHBondContact O-CG 3.24Å
8	W	69.8	Low	62.1	Low	3 Å²	3	90.5 Å²	90.5	1%	0.011	47%	0.473	C	S	.	.	H	α-helix	trans	-66.4	-39.3	175.3	-176.9	-105.2	0	0	0	111.7	V2 G4 E5 E6 Q10 L11 K16 H19 D51 P52	V2-W8 HydrophobicContact CG1-CB 4.42Å; G4-W8 PolarHBondContact O-N 3.35Å; E5-W8 WeakPolarHBondContact O-CB 3.23Å; E5-W8 PolarHBondContact O-N 3.48Å; E6-W8 VanDerWaalsContact C-N 3.33Å; W8-Q10 VanDerWaalsContact C-N 3.28Å; W8-Q10 PolarHBondContact O-N 3.11Å; W8-L11 HydrophobicContact CE3-CD1 3.7Å; W8-L11 HydrophobicContact CZ3-CD1 3.9Å; W8-L11 PolarHBondContact O-N 3.25Å; W8-K16 HydrophobicContact CH2-CB 3.94Å; W8-K16 HydrophobicContact CH2-CG 4.03Å; W8-K16 HydrophobicContact CZ2-CB 4.06Å; W8-K16 HydrophobicContact CZ2-CD 4.2Å; W8-K16 HydrophobicContact CZ2-CG 3.95Å; W8-K16 HydrophobicContact CZ3-CG 4.32Å; W8-K16 WeakPolarHBondContact O-CE 3.46Å; W8-K16 PolarHBondContact O-NZ 3.21Å; W8-H19 HydrophobicContact CH2-CB 4.21Å; W8-H19 AromaticContact CH2-CD2 3.72Å; W8-H19 HydrophobicContact CZ3-CB 3.75Å; W8-H19 AromaticContact CZ3-CD2 3.22Å; W8-H19 WeakPolarHBondContact CZ3-CD2 3.38Å; W8-H19 AromaticContact CZ3-CG 3.49Å; W8-H19 VanDerWaalsContact CZ3-CG 3.49Å; W8-H19 AromaticContact CZ3-NE2 3.87Å; W8-D51 PolarHBondContact NE1-OD1 3.03Å; W8-P52 HydrophobicContact CZ2-CG 4.19Å
9	Q	66.1	Low	62.9	Low	116 Å²	116	87.7 Å²	87.7	54%	0.542	46%	0.457	S	S	.	.	H	α-helix	trans	-68.8	-25.9	178.9	-67.1	-61.2	-11.2	0	0	113.3	E5 E6 L11	E5-Q9 PolarHBondContact O-N 3.42Å; E5-Q9 VanDerWaalsContact O-N 3.16Å; E6-Q9 PolarHBondContact O-N 3.46Å; Q9-L11 VanDerWaalsContact C-N 3.32Å
10	Q	66.4	Low	63.5	Low	158 Å²	158	86.5 Å²	86.5	74%	0.738	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-10.3	176.5	-65.9	178.8	22.4	0	0	113.7	E6 E7 W8	E6-Q10 WeakPolarHBondContact O-CG 3.44Å; E6-Q10 PolarHBondContact O-N 3.2Å; E7-Q10 PolarHBondContact O-N 3.07Å; W8-Q10 VanDerWaalsContact C-N 3.28Å; W8-Q10 PolarHBondContact O-N 3.11Å
11	L	68.7	Low	63.9	Low	34 Å²	34	86.5 Å²	86.5	18%	0.178	45%	0.447	C	S	.	.	S	Bend	trans	-76.4	133.7	177.7	-64.5	-175.6	0	0	0	111.8	V2 E7 W8 Q9 Q15 K16	V2-L11 HydrophobicContact CG2-CD1 4.13Å; V2-L11 HydrophobicContact CG2-CD2 4.35Å; V2-L11 HydrophobicContact CG2-CG 4.5Å; E7-L11 WeakPolarHBondContact O-CG 3.24Å; W8-L11 HydrophobicContact CE3-CD1 3.7Å; W8-L11 HydrophobicContact CZ3-CD1 3.9Å; W8-L11 PolarHBondContact O-N 3.25Å; Q9-L11 VanDerWaalsContact C-N 3.32Å; L11-Q15 HydrophobicContact CB-CB 4.05Å; L11-Q15 HydrophobicContact CD2-CB 4.07Å; L11-Q15 HydrophobicContact CG-CB 4.43Å; L11-K16 HydrophobicContact CB-CD 4.45Å; L11-K16 HydrophobicContact CB-CG 3.63Å; L11-K16 HydrophobicContact CD1-CG 4.3Å; L11-K16 VanDerWaalsContact O-CE 3.23Å; L11-K16 WeakPolarHBondContact O-CE 3.49Å
12	N	73	Confident	65.4	Low	78 Å²	78	82.5 Å²	82.5	42%	0.417	43%	0.431	S	S	.	.			trans	-70.8	163.3	171.1	70.6	42.8	0	0	0	111.5	A14 Q15 K16	N12-A14 PolarHBondContact O-N 3.5Å; N12-A14 VanDerWaalsContact O-N 3.15Å; N12-A14 PolarHBondContact OD1-N 3.1Å; N12-Q15 VanDerWaalsContact CG-OE1 3.26Å; N12-Q15 PolarHBondContact ND2-OE1 2.94Å; N12-Q15 PolarHBondContact O-N 3.47Å; N12-Q15 WeakPolarHBondContact OD1-CG 3.39Å; N12-Q15 PolarHBondContact OD1-N 3.03Å; N12-K16 PolarHBondContact O-N 3.1Å
13	P	68.7	Low	66.9	Low	104 Å²	104	82.4 Å²	82.4	68%	0.675	43%	0.428	S	S	*	.	H	α-helix	trans	-57.3	-32.8	-175.8	-27.8	36	0	0	0	114.6	T17	P13-T17 WeakPolarHBondContact O-CB 3.48Å; P13-T17 PolarHBondContact O-N 3.42Å; P13-T17 PolarHBondContact O-OG1 3.14Å
14	A	62.6	Low	68.6	Low	71 Å²	71	75.1 Å²	75.1	59%	0.587	39%	0.394	S	S	*	.	H	α-helix	trans	-70.8	-39.5	177.4	0	0	0	0	0	111.8	N12 T17 L18	N12-A14 PolarHBondContact O-N 3.5Å; N12-A14 VanDerWaalsContact O-N 3.15Å; N12-A14 PolarHBondContact OD1-N 3.1Å; A14-T17 PolarHBondContact O-N 3.16Å; A14-L18 WeakPolarHBondContact O-CB 3.17Å; A14-L18 PolarHBondContact O-N 3.44Å
15	Q	63.3	Low	69.5	Low	90 Å²	90	80.9 Å²	80.9	42%	0.421	42%	0.415	S	S	.	.	H	α-helix	trans	-68.4	-39.7	175.1	-71.5	169.3	-36.6	0	0	112.1	L11 N12 T17 L18 H19	L11-Q15 HydrophobicContact CB-CB 4.05Å; L11-Q15 HydrophobicContact CD2-CB 4.07Å; L11-Q15 HydrophobicContact CG-CB 4.43Å; N12-Q15 VanDerWaalsContact CG-OE1 3.26Å; N12-Q15 PolarHBondContact ND2-OE1 2.94Å; N12-Q15 PolarHBondContact O-N 3.47Å; N12-Q15 WeakPolarHBondContact OD1-CG 3.39Å; N12-Q15 PolarHBondContact OD1-N 3.03Å; Q15-T17 VanDerWaalsContact C-N 3.33Å; Q15-L18 PolarHBondContact O-N 3.41Å; Q15-H19 WeakPolarHBondContact O-CB 3.3Å; Q15-H19 PolarHBondContact O-N 3Å
16	K	75.4	Confident	70.2	Confident	45 Å²	45	79.9 Å²	79.9	20%	0.196	42%	0.415	C	S	.	.	H	α-helix	trans	-62.8	-40.1	173.3	-70.1	-177.3	172.6	177.1	0	111.8	W8 L11 N12 H19 R20	W8-K16 HydrophobicContact CH2-CB 3.94Å; W8-K16 HydrophobicContact CH2-CG 4.03Å; W8-K16 HydrophobicContact CZ2-CB 4.06Å; W8-K16 HydrophobicContact CZ2-CD 4.2Å; W8-K16 HydrophobicContact CZ2-CG 3.95Å; W8-K16 HydrophobicContact CZ3-CG 4.32Å; W8-K16 WeakPolarHBondContact O-CE 3.46Å; W8-K16 PolarHBondContact O-NZ 3.21Å; L11-K16 HydrophobicContact CB-CD 4.45Å; L11-K16 HydrophobicContact CB-CG 3.63Å; L11-K16 HydrophobicContact CD1-CG 4.3Å; L11-K16 VanDerWaalsContact O-CE 3.23Å; L11-K16 WeakPolarHBondContact O-CE 3.49Å; N12-K16 PolarHBondContact O-N 3.1Å; K16-H19 PolarHBondContact O-N 2.98Å; K16-R20 WeakPolarHBondContact O-CB 3.42Å; K16-R20 PolarHBondContact O-N 3.46Å
17	T	72.8	Confident	70.9	Confident	67 Å²	67	74 Å²	74	41%	0.411	39%	0.386	S	S	.	.	H	α-helix	trans	-65.4	-46.6	175.5	-56.1	0	0	0	0	111.2	P13 A14 Q15 H19 R20 D21	P13-T17 WeakPolarHBondContact O-CB 3.48Å; P13-T17 PolarHBondContact O-N 3.42Å; P13-T17 PolarHBondContact O-OG1 3.14Å; A14-T17 PolarHBondContact O-N 3.16Å; Q15-T17 VanDerWaalsContact C-N 3.33Å; T17-H19 VanDerWaalsContact C-N 3.32Å; T17-H19 PolarHBondContact O-N 2.95Å; T17-R20 WeakPolarHBondContact O-CB 3.26Å; T17-R20 PolarHBondContact O-N 2.89Å; T17-D21 PolarHBondContact O-N 3.48Å
18	L	72.3	Confident	71.4	Confident	112 Å²	112	72.6 Å²	72.6	59%	0.586	38%	0.382	S	S	*	.	H	α-helix	trans	-61	-41.3	176.2	-177.3	64	0	0	0	111.8	A14 Q15 D21 V22	A14-L18 WeakPolarHBondContact O-CB 3.17Å; A14-L18 PolarHBondContact O-N 3.44Å; Q15-L18 PolarHBondContact O-N 3.41Å; L18-D21 PolarHBondContact O-N 3.35Å; L18-V22 HydrophobicContact CD1-CG2 4.22Å; L18-V22 HydrophobicContact CG-CG2 4.41Å; L18-V22 WeakPolarHBondContact O-CB 3.32Å; L18-V22 WeakPolarHBondContact O-CG2 3.43Å; L18-V22 PolarHBondContact O-N 2.97Å
19	H	76.7	Confident	70.9	Confident	37 Å²	37	78 Å²	78	17%	0.171	41%	0.407	C	S	.	.	H	α-helix	trans	-62.6	-44.4	175.5	-177.4	96.1	0	0	0	111.8	W8 Q15 K16 T17 V22 M23	W8-H19 HydrophobicContact CH2-CB 4.21Å; W8-H19 AromaticContact CH2-CD2 3.72Å; W8-H19 HydrophobicContact CZ3-CB 3.75Å; W8-H19 AromaticContact CZ3-CD2 3.22Å; W8-H19 WeakPolarHBondContact CZ3-CD2 3.38Å; W8-H19 AromaticContact CZ3-CG 3.49Å; W8-H19 VanDerWaalsContact CZ3-CG 3.49Å; W8-H19 AromaticContact CZ3-NE2 3.87Å; Q15-H19 WeakPolarHBondContact O-CB 3.3Å; Q15-H19 PolarHBondContact O-N 3Å; K16-H19 PolarHBondContact O-N 2.98Å; T17-H19 VanDerWaalsContact C-N 3.32Å; T17-H19 PolarHBondContact O-N 2.95Å; H19-V22 PolarHBondContact O-N 3.31Å; H19-M23 WeakPolarHBondContact O-CB 3.46Å; H19-M23 WeakPolarHBondContact O-CG 3.37Å; H19-M23 PolarHBondContact O-N 2.83Å
20	R	76.3	Confident	70.4	Confident	64 Å²	64	75.3 Å²	75.3	24%	0.242	40%	0.396	C	S	.	.	H	α-helix	trans	-56.8	-51.1	174.2	175.7	-179.7	-73.4	154.6	-2.3	110.9	K16 T17 V22 M23 L24 L46 G49	K16-R20 WeakPolarHBondContact O-CB 3.42Å; K16-R20 PolarHBondContact O-N 3.46Å; T17-R20 WeakPolarHBondContact O-CB 3.26Å; T17-R20 PolarHBondContact O-N 2.89Å; R20-V22 PolarHBondContact O-N 3.27Å; R20-M23 PolarHBondContact O-N 3.02Å; R20-L24 HydrophobicContact CG-CD1 3.94Å; R20-L24 HydrophobicContact CG-CG 4.39Å; R20-L24 VanDerWaalsContact O-CG 3.3Å; R20-L24 WeakPolarHBondContact O-CG 3.41Å; R20-L24 PolarHBondContact O-N 3.42Å; R20-L46 HydrophobicContact CB-CD2 4.08Å; R20-L46 WeakPolarHBondContact CD-O 3.2Å; R20-L46 HydrophobicContact CG-CB 4.26Å; R20-L46 HydrophobicContact CG-CD2 4.12Å; R20-L46 PolarHBondContact NE-O 3.42Å; R20-G49 PolarHBondContact NH2-O 2.83Å
21	D	71.7	Confident	70.1	Confident	86 Å²	86	68.4 Å²	68.4	46%	0.46	37%	0.365	S	S	.	.	H	α-helix	trans	-63	-43.3	-177	-69.1	-15.8	0	0	0	111.7	T17 L18 M23 L24 E25	T17-D21 PolarHBondContact O-N 3.48Å; L18-D21 PolarHBondContact O-N 3.35Å; D21-M23 PolarHBondContact O-N 3.31Å; D21-L24 PolarHBondContact O-N 2.96Å; D21-E25 VanDerWaalsContact O-CB 3.22Å; D21-E25 WeakPolarHBondContact O-CB 3.36Å; D21-E25 PolarHBondContact O-N 3.23Å
22	V	74.8	Confident	69.5	Low	67 Å²	67	69 Å²	69	41%	0.406	37%	0.371	S	S	.	.	H	α-helix	trans	-63.7	-42.2	177	171.1	0	0	0	0	111.3	L18 H19 R20 T26	L18-V22 HydrophobicContact CD1-CG2 4.22Å; L18-V22 HydrophobicContact CG-CG2 4.41Å; L18-V22 WeakPolarHBondContact O-CB 3.32Å; L18-V22 WeakPolarHBondContact O-CG2 3.43Å; L18-V22 PolarHBondContact O-N 2.97Å; H19-V22 PolarHBondContact O-N 3.31Å; R20-V22 PolarHBondContact O-N 3.27Å; V22-T26 WeakPolarHBondContact O-CB 3.38Å; V22-T26 PolarHBondContact O-N 2.85Å; V22-T26 PolarHBondContact O-OG1 3.49Å
23	M	75.3	Confident	68.5	Low	42 Å²	42	68.2 Å²	68.2	21%	0.207	37%	0.37	C	S	.	.	H	α-helix	trans	-67.5	-42.5	179.3	-72.6	-66.3	-79.7	0	0	112.2	M1 H19 R20 D21 Y27 I43 L46	M1-M23 HydrophobicContact SD-SD 3.61Å; M1-M23 VanDerWaalsContact SD-SD 3.61Å; H19-M23 WeakPolarHBondContact O-CB 3.46Å; H19-M23 WeakPolarHBondContact O-CG 3.37Å; H19-M23 PolarHBondContact O-N 2.83Å; R20-M23 PolarHBondContact O-N 3.02Å; D21-M23 PolarHBondContact O-N 3.31Å; M23-Y27 WeakPolarHBondContact O-CB 3.38Å; M23-Y27 PolarHBondContact O-N 3.05Å; M23-I43 HydrophobicContact CB-CD1 4.26Å; M23-L46 HydrophobicContact CB-CD1 3.86Å; M23-L46 HydrophobicContact CG-CD1 4.34Å
24	L	76.4	Confident	67.3	Low	30 Å²	30	65.8 Å²	65.8	16%	0.157	36%	0.364	C	S	.	.	H	α-helix	trans	-68.7	-40.4	176.8	-65.3	-177.9	0	0	0	111.9	R20 D21 Y27 N28 I43 L46 E47	R20-L24 HydrophobicContact CG-CD1 3.94Å; R20-L24 HydrophobicContact CG-CG 4.39Å; R20-L24 VanDerWaalsContact O-CG 3.3Å; R20-L24 WeakPolarHBondContact O-CG 3.41Å; R20-L24 PolarHBondContact O-N 3.42Å; D21-L24 PolarHBondContact O-N 2.96Å; L24-Y27 PolarHBondContact O-N 3.11Å; L24-N28 WeakPolarHBondContact O-CB 3.39Å; L24-N28 VanDerWaalsContact O-CG 3.31Å; L24-N28 PolarHBondContact O-N 3.09Å; L24-N28 PolarHBondContact O-ND2 3.1Å; L24-I43 HydrophobicContact CD2-CG2 3.82Å; L24-L46 HydrophobicContact CD2-CB 4.22Å; L24-E47 HydrophobicContact CD1-CG 4.14Å; L24-E47 HydrophobicContact CD2-CG 3.53Å; L24-E47 HydrophobicContact CG-CG 4.5Å
25	E	75	Confident	66.3	Low	146 Å²	146	64.9 Å²	64.9	68%	0.682	35%	0.352	S	S	*	.	H	α-helix	trans	-69	-37.2	177.4	-171.6	154.3	-158.9	0	0	111.7	D21 N28 H29	D21-E25 VanDerWaalsContact O-CB 3.22Å; D21-E25 WeakPolarHBondContact O-CB 3.36Å; D21-E25 PolarHBondContact O-N 3.23Å; E25-N28 PolarHBondContact O-N 3.4Å; E25-H29 WeakPolarHBondContact O-CB 3.43Å; E25-H29 PolarHBondContact O-N 3.44Å
26	T	69.1	Low	65.6	Low	70 Å²	70	64.6 Å²	64.6	43%	0.429	36%	0.361	S	S	.	.	H	α-helix	trans	-63.7	-46.8	173.8	-60.3	0	0	0	0	111.3	V22 N28 H29 L30	V22-T26 WeakPolarHBondContact O-CB 3.38Å; V22-T26 PolarHBondContact O-N 2.85Å; V22-T26 PolarHBondContact O-OG1 3.49Å; T26-N28 PolarHBondContact O-N 2.87Å; T26-H29 WeakPolarHBondContact O-CB 3.35Å; T26-H29 PolarHBondContact O-N 2.82Å; T26-H29 VanDerWaalsContact O-N 3.16Å; T26-L30 HydrophobicContact CG2-CD1 4.48Å; T26-L30 WeakPolarHBondContact O-CG 3.28Å; T26-L30 PolarHBondContact O-N 2.79Å
27	Y	72.3	Confident	64.5	Low	37 Å²	37	65.3 Å²	65.3	15%	0.145	38%	0.381	C	S	.	.	H	α-helix	trans	-60.2	-45	174.6	178.4	-102.7	0	0	0	111.9	M23 L24 H29 L30 V31 K39 I43	M23-Y27 WeakPolarHBondContact O-CB 3.38Å; M23-Y27 PolarHBondContact O-N 3.05Å; L24-Y27 PolarHBondContact O-N 3.11Å; Y27-H29 PolarHBondContact O-N 3.13Å; Y27-L30 WeakPolarHBondContact O-CB 3.38Å; Y27-L30 PolarHBondContact O-N 2.79Å; Y27-L30 VanDerWaalsContact O-N 3.13Å; Y27-V31 HydrophobicContact CD1-CG2 4.26Å; Y27-V31 HydrophobicContact CE1-CG2 3.8Å; Y27-V31 HydrophobicContact CE2-CG2 4.11Å; Y27-V31 WeakPolarHBondContact O-CG2 3.27Å; Y27-V31 PolarHBondContact O-N 3.19Å; Y27-K39 HydrophobicContact CE1-CD 4.46Å; Y27-K39 HydrophobicContact CE1-CG 4.18Å; Y27-K39 HydrophobicContact CE2-CG 4.43Å; Y27-K39 WeakPolarHBondContact OH-CB 3.47Å; Y27-I43 HydrophobicContact CD1-CG2 3.69Å; Y27-I43 HydrophobicContact CD2-CG1 4.12Å; Y27-I43 HydrophobicContact CD2-CG2 4.38Å; Y27-I43 HydrophobicContact CE1-CG2 4.14Å; Y27-I43 HydrophobicContact CG-CD1 4.45Å; Y27-I43 HydrophobicContact CG-CG1 4.11Å; Y27-I43 HydrophobicContact CG-CG2 3.83Å
28	N	71.8	Confident	63.5	Low	68 Å²	68	70.3 Å²	70.3	36%	0.364	40%	0.403	S	S	.	.	H	α-helix	trans	-60.7	-32.3	175.6	-81.1	-52.4	0	0	0	113	L24 E25 T26 S32	L24-N28 WeakPolarHBondContact O-CB 3.39Å; L24-N28 VanDerWaalsContact O-CG 3.31Å; L24-N28 PolarHBondContact O-N 3.09Å; L24-N28 PolarHBondContact O-ND2 3.1Å; E25-N28 PolarHBondContact O-N 3.4Å; T26-N28 PolarHBondContact O-N 2.87Å; N28-S32 VanDerWaalsContact O-CB 3.3Å; N28-S32 WeakPolarHBondContact O-CB 3.43Å; N28-S32 PolarHBondContact O-N 2.88Å; N28-S32 PolarHBondContact O-OG 3.3Å
29	H	59.9	Low	63.1	Low	115 Å²	115	68 Å²	68	53%	0.532	39%	0.388	S	S	.	.	H	α-helix	trans	-71.6	-42.4	174.4	-160.2	75.1	0	0	0	112	E25 T26 Y27 V31 S32 V33	E25-H29 WeakPolarHBondContact O-CB 3.43Å; E25-H29 PolarHBondContact O-N 3.44Å; T26-H29 WeakPolarHBondContact O-CB 3.35Å; T26-H29 PolarHBondContact O-N 2.82Å; T26-H29 VanDerWaalsContact O-N 3.16Å; Y27-H29 PolarHBondContact O-N 3.13Å; H29-V31 VanDerWaalsContact C-N 3.34Å; H29-V31 PolarHBondContact O-N 3.24Å; H29-S32 WeakPolarHBondContact O-CB 3.5Å; H29-S32 PolarHBondContact O-N 3.06Å; H29-S32 VanDerWaalsContact O-N 3.11Å; H29-V33 PolarHBondContact O-N 3.02Å
30	L	56.9	Low	62.8	Low	61 Å²	61	69.4 Å²	69.4	32%	0.319	40%	0.401	S	S	.	.	H	α-helix	trans	-60.4	-42.7	175.6	-70	172.1	0	0	0	111.8	T26 Y27 S32 V33 C35	T26-L30 HydrophobicContact CG2-CD1 4.48Å; T26-L30 WeakPolarHBondContact O-CG 3.28Å; T26-L30 PolarHBondContact O-N 2.79Å; Y27-L30 WeakPolarHBondContact O-CB 3.38Å; Y27-L30 PolarHBondContact O-N 2.79Å; Y27-L30 VanDerWaalsContact O-N 3.13Å; L30-S32 VanDerWaalsContact C-N 3.33Å; L30-S32 PolarHBondContact O-N 2.66Å; L30-V33 WeakPolarHBondContact O-CG2 3.42Å; L30-V33 PolarHBondContact O-N 3.21Å; L30-C35 WeakPolarHBondContact O-CB 3.46Å; L30-C35 PolarHBondContact O-N 3.18Å
31	V	59.6	Low	62	Low	13 Å²	13	72.3 Å²	72.3	8%	0.079	42%	0.421	C	S	.	.	H	α-helix	trans	-64.8	-38.9	173.7	171.2	0	0	0	0	111.4	Y27 H29 V33 G34 Y310	Y27-V31 HydrophobicContact CD1-CG2 4.26Å; Y27-V31 HydrophobicContact CE1-CG2 3.8Å; Y27-V31 HydrophobicContact CE2-CG2 4.11Å; Y27-V31 WeakPolarHBondContact O-CG2 3.27Å; Y27-V31 PolarHBondContact O-N 3.19Å; H29-V31 VanDerWaalsContact C-N 3.34Å; H29-V31 PolarHBondContact O-N 3.24Å; V31-V33 PolarHBondContact O-N 3.42Å; V31-G34 PolarHBondContact O-N 3.11Å; V31-G34 VanDerWaalsContact O-N 3.12Å; V31-Y310 HydrophobicContact CG1-CG 4.42Å; V31-Y310 WeakPolarHBondContact CG1-O 3.39Å
32	S	54.9	Low	61.9	Low	45 Å²	45	71 Å²	71	32%	0.315	42%	0.416	S	S	.	.	H	α-helix	trans	-67.5	-20.3	-179	-68.1	0	0	0	0	114.3	N28 H29 L30 R312	N28-S32 VanDerWaalsContact O-CB 3.3Å; N28-S32 WeakPolarHBondContact O-CB 3.43Å; N28-S32 PolarHBondContact O-N 2.88Å; N28-S32 PolarHBondContact O-OG 3.3Å; H29-S32 WeakPolarHBondContact O-CB 3.5Å; H29-S32 PolarHBondContact O-N 3.06Å; H29-S32 VanDerWaalsContact O-N 3.11Å; L30-S32 VanDerWaalsContact C-N 3.33Å; L30-S32 PolarHBondContact O-N 2.66Å; S32-R312 PolarHBondContact OG-NE 3.41Å; S32-R312 PolarHBondContact OG-NH1 2.86Å; S32-R312 PolarHBondContact OG-NH2 3.36Å
33	V	52.9	Low	62	Low	62 Å²	62	68.2 Å²	68.2	38%	0.376	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	7	175.7	-61.1	0	0	0	0	113.4	H29 L30 V31	H29-V33 PolarHBondContact O-N 3.02Å; L30-V33 WeakPolarHBondContact O-CG2 3.42Å; L30-V33 PolarHBondContact O-N 3.21Å; V31-V33 PolarHBondContact O-N 3.42Å
34	G	43.3	Very low	62	Low	54 Å²	54	71.4 Å²	71.4	56%	0.557	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	14	172.2	0	0	0	0	0	115.1	V31 S36	V31-G34 PolarHBondContact O-N 3.11Å; V31-G34 VanDerWaalsContact O-N 3.12Å; G34-S36 PolarHBondContact O-N 3.34Å
35	C	42.4	Very low	61.6	Low	51 Å²	51	72.3 Å²	72.3	35%	0.345	41%	0.414	S	S	.	.			trans	-69.9	111.9	168.9	-67.7	0	0	0	0	108.9	L30	L30-C35 WeakPolarHBondContact O-CB 3.46Å; L30-C35 PolarHBondContact O-N 3.18Å
36	S	48.6	Very low	61.7	Low	85 Å²	85	65.4 Å²	65.4	59%	0.594	38%	0.382	S	S	*	.			trans	-105	85.3	-178.1	44.7	0	0	0	0	110	G34 Y310	G34-S36 PolarHBondContact O-N 3.34Å; S36-Y310 VanDerWaalsContact CB-CE1 3.4Å; S36-Y310 WeakPolarHBondContact CB-OH 3.07Å
37	G	52.3	Low	62	Low	60 Å²	60	66.2 Å²	66.2	62%	0.619	38%	0.381	S	S	*	.			trans	-122	161.7	172.7	0	0	0	0	0	111.3
38	I	50.7	Low	61.9	Low	171 Å²	171	69.6 Å²	69.6	88%	0.877	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-59.2	135.6	169.7	-61.9	170	0	0	0	108.2	P40	I38-P40 WeakPolarHBondContact O-CD 3.38Å
39	K	63.8	Low	61.6	Low	65 Å²	65	68.6 Å²	68.6	28%	0.283	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-60.3	122.1	-179.1	-174.4	174	-163.2	163.8	0	109.6	Y27 I43 E47	Y27-K39 HydrophobicContact CE1-CD 4.46Å; Y27-K39 HydrophobicContact CE1-CG 4.18Å; Y27-K39 HydrophobicContact CE2-CG 4.43Å; Y27-K39 WeakPolarHBondContact OH-CB 3.47Å; K39-I43 HydrophobicContact CG-CB 4.35Å; K39-I43 HydrophobicContact CG-CG2 4.19Å; K39-E47 VanDerWaalsContact CE-OE1 3.27Å; K39-E47 WeakPolarHBondContact CE-OE1 3.43Å; K39-E47 WeakPolarHBondContact CE-OE2 3.42Å; K39-E47 IonicContact NZ-OE1 3.87Å; K39-E47 PolarHBondContact NZ-OE1 2.99Å; K39-E47 IonicContact NZ-OE2 3.36Å; K39-E47 PolarHBondContact NZ-OE2 3.49Å
40	P	70.7	Confident	61.8	Low	66 Å²	66	69.3 Å²	69.3	43%	0.429	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-63.4	140.4	-179.7	-22.3	33	0	0	0	111.8	I38 V42 I43 F44	I38-P40 WeakPolarHBondContact O-CD 3.38Å; P40-V42 PolarHBondContact O-N 2.87Å; P40-V42 VanDerWaalsContact O-N 3.15Å; P40-I43 HydrophobicContact CB-CG1 4.28Å; P40-I43 HydrophobicContact CG-CG1 4.36Å; P40-I43 WeakPolarHBondContact O-CA 3.28Å; P40-I43 WeakPolarHBondContact O-CB 3.49Å; P40-I43 PolarHBondContact O-N 3.4Å; P40-F44 PolarHBondContact O-N 3.33Å; P40-F44 VanDerWaalsContact O-N 3.15Å
41	D	60.5	Low	62.2	Low	125 Å²	125	69.5 Å²	69.5	67%	0.668	41%	0.406	S	S	*	.	H	α-helix	trans	-57.2	-33.4	-176.8	-65.6	-34.5	0	0	0	113.4	I43 F44 K45	D41-I43 VanDerWaalsContact C-N 3.31Å; D41-I43 PolarHBondContact O-N 3.06Å; D41-F44 WeakPolarHBondContact O-CB 3.16Å; D41-F44 PolarHBondContact O-N 2.83Å; D41-K45 WeakPolarHBondContact O-CG 3.37Å; D41-K45 PolarHBondContact O-N 2.88Å
42	V	69.6	Low	62.3	Low	57 Å²	57	69.2 Å²	69.2	35%	0.345	40%	0.404	S	S	.	.	H	α-helix	trans	-60.9	-40.2	174.9	173.6	0	0	0	0	111.5	P40 L46 P52	P40-V42 PolarHBondContact O-N 2.87Å; P40-V42 VanDerWaalsContact O-N 3.15Å; V42-L46 HydrophobicContact CG1-CD1 4.05Å; V42-L46 WeakPolarHBondContact O-CB 3.32Å; V42-L46 WeakPolarHBondContact O-CG 3.46Å; V42-L46 PolarHBondContact O-N 3.29Å; V42-P52 HydrophobicContact CG1-CB 4.17Å
43	I	76.2	Confident	62.7	Low	9 Å²	9	72.6 Å²	72.6	5%	0.046	41%	0.41	C	S	.	.	H	α-helix	trans	-69.4	-39.7	175.9	-60.1	-59.2	0	0	0	110.1	M23 L24 Y27 K39 P40 D41 L46 E47	M23-I43 HydrophobicContact CB-CD1 4.26Å; L24-I43 HydrophobicContact CD2-CG2 3.82Å; Y27-I43 HydrophobicContact CD1-CG2 3.69Å; Y27-I43 HydrophobicContact CD2-CG1 4.12Å; Y27-I43 HydrophobicContact CD2-CG2 4.38Å; Y27-I43 HydrophobicContact CE1-CG2 4.14Å; Y27-I43 HydrophobicContact CG-CD1 4.45Å; Y27-I43 HydrophobicContact CG-CG1 4.11Å; Y27-I43 HydrophobicContact CG-CG2 3.83Å; K39-I43 HydrophobicContact CG-CB 4.35Å; K39-I43 HydrophobicContact CG-CG2 4.19Å; P40-I43 HydrophobicContact CB-CG1 4.28Å; P40-I43 HydrophobicContact CG-CG1 4.36Å; P40-I43 WeakPolarHBondContact O-CA 3.28Å; P40-I43 WeakPolarHBondContact O-CB 3.49Å; P40-I43 PolarHBondContact O-N 3.4Å; D41-I43 VanDerWaalsContact C-N 3.31Å; D41-I43 PolarHBondContact O-N 3.06Å; I43-L46 PolarHBondContact O-N 3.45Å; I43-E47 WeakPolarHBondContact O-CG 3.45Å; I43-E47 PolarHBondContact O-N 2.85Å; I43-E47 VanDerWaalsContact O-N 3.12Å
44	F	75.1	Confident	62.4	Low	110 Å²	110	74.2 Å²	74.2	48%	0.482	42%	0.416	S	S	.	.	H	α-helix	trans	-62	-45.6	175.4	-178.8	-93.7	0	0	0	112.2	P40 D41 E47 H48	P40-F44 PolarHBondContact O-N 3.33Å; P40-F44 VanDerWaalsContact O-N 3.15Å; D41-F44 WeakPolarHBondContact O-CB 3.16Å; D41-F44 PolarHBondContact O-N 2.83Å; F44-E47 PolarHBondContact O-N 3.32Å; F44-H48 AromaticContact CD2-CE1 3.74Å; F44-H48 AromaticContact CE1-ND1 3.97Å; F44-H48 AromaticContact CE2-CE1 3.3Å; F44-H48 WeakPolarHBondContact CE2-CE1 3.11Å; F44-H48 AromaticContact CE2-ND1 3.95Å; F44-H48 AromaticContact CZ-CE1 3.45Å; F44-H48 VanDerWaalsContact CZ-CE1 3.45Å; F44-H48 WeakPolarHBondContact CZ-CE1 3.33Å; F44-H48 AromaticContact CZ-ND1 3.88Å; F44-H48 PolarHBondContact O-N 3.35Å; F44-H48 PolarHBondContact O-ND1 2.77Å
45	K	68.4	Low	62.2	Low	49 Å²	49	77.5 Å²	77.5	21%	0.213	42%	0.419	C	S	.	.	H	α-helix	trans	-62.2	-44.3	176.6	-70.8	-178.9	-174.3	-175.9	0	111.8	D41 E47 H48 G49 K50 P52 I54	D41-K45 WeakPolarHBondContact O-CG 3.37Å; D41-K45 PolarHBondContact O-N 2.88Å; K45-E47 PolarHBondContact O-N 3.06Å; K45-H48 PolarHBondContact O-N 2.8Å; K45-G49 PolarHBondContact O-N 3.04Å; K45-K50 HydrophobicContact CB-CB 4.41Å; K45-K50 PolarHBondContact O-N 3.17Å; K45-P52 WeakPolarHBondContact CD-O 3.44Å; K45-P52 PolarHBondContact NZ-O 3.37Å; K45-P52 VanDerWaalsContact NZ-O 3.14Å; K45-I54 PolarHBondContact NZ-O 3.39Å
46	L	76.3	Confident	62	Low	1 Å²	1	83 Å²	83	1%	0.005	44%	0.44	C	S	.	.	H	α-helix	trans	-63.6	-35.9	-179.7	-77.5	174.2	0	0	0	113.3	R20 M23 L24 V42 I43 G49 P52	R20-L46 HydrophobicContact CB-CD2 4.08Å; R20-L46 WeakPolarHBondContact CD-O 3.2Å; R20-L46 HydrophobicContact CG-CB 4.26Å; R20-L46 HydrophobicContact CG-CD2 4.12Å; R20-L46 PolarHBondContact NE-O 3.42Å; M23-L46 HydrophobicContact CB-CD1 3.86Å; M23-L46 HydrophobicContact CG-CD1 4.34Å; L24-L46 HydrophobicContact CD2-CB 4.22Å; V42-L46 HydrophobicContact CG1-CD1 4.05Å; V42-L46 WeakPolarHBondContact O-CB 3.32Å; V42-L46 WeakPolarHBondContact O-CG 3.46Å; V42-L46 PolarHBondContact O-N 3.29Å; I43-L46 PolarHBondContact O-N 3.45Å; L46-G49 PolarHBondContact O-N 3.18Å; L46-P52 HydrophobicContact CD2-CG 3.63Å; L46-P52 HydrophobicContact CG-CG 4.01Å
47	E	76.3	Confident	61.4	Low	86 Å²	86	83.2 Å²	83.2	40%	0.402	44%	0.442	S	S	.	.	H	α-helix	trans	-68.7	-33.7	175.7	-75	179.5	174.3	0	0	113.6	L24 K39 I43 F44 K45 G49	L24-E47 HydrophobicContact CD1-CG 4.14Å; L24-E47 HydrophobicContact CD2-CG 3.53Å; L24-E47 HydrophobicContact CG-CG 4.5Å; K39-E47 VanDerWaalsContact CE-OE1 3.27Å; K39-E47 WeakPolarHBondContact CE-OE1 3.43Å; K39-E47 WeakPolarHBondContact CE-OE2 3.42Å; K39-E47 IonicContact NZ-OE1 3.87Å; K39-E47 PolarHBondContact NZ-OE1 2.99Å; K39-E47 IonicContact NZ-OE2 3.36Å; K39-E47 PolarHBondContact NZ-OE2 3.49Å; I43-E47 WeakPolarHBondContact O-CG 3.45Å; I43-E47 PolarHBondContact O-N 2.85Å; I43-E47 VanDerWaalsContact O-N 3.12Å; F44-E47 PolarHBondContact O-N 3.32Å; K45-E47 PolarHBondContact O-N 3.06Å; E47-G49 PolarHBondContact O-N 3.25Å
48	H	69.7	Low	60.5	Low	109 Å²	109	87.4 Å²	87.4	51%	0.505	45%	0.445	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	12.2	178.6	-66.7	83.4	0	0	0	112.8	F44 K45 K50	F44-H48 AromaticContact CD2-CE1 3.74Å; F44-H48 AromaticContact CE1-ND1 3.97Å; F44-H48 AromaticContact CE2-CE1 3.3Å; F44-H48 WeakPolarHBondContact CE2-CE1 3.11Å; F44-H48 AromaticContact CE2-ND1 3.95Å; F44-H48 AromaticContact CZ-CE1 3.45Å; F44-H48 VanDerWaalsContact CZ-CE1 3.45Å; F44-H48 WeakPolarHBondContact CZ-CE1 3.33Å; F44-H48 AromaticContact CZ-ND1 3.88Å; F44-H48 PolarHBondContact O-N 3.35Å; F44-H48 PolarHBondContact O-ND1 2.77Å; K45-H48 PolarHBondContact O-N 2.8Å; H48-K50 HydrophobicContact CB-CG 4.38Å; H48-K50 PolarHBondContact O-N 2.85Å
49	G	65.5	Low	59.8	Low	46 Å²	46	84.2 Å²	84.2	47%	0.474	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	7.2	179.4	0	0	0	0	0	114.5	R20 K45 L46 E47	R20-G49 PolarHBondContact NH2-O 2.83Å; K45-G49 PolarHBondContact O-N 3.04Å; L46-G49 PolarHBondContact O-N 3.18Å; E47-G49 PolarHBondContact O-N 3.25Å
50	K	65.3	Low	58.3	Low	131 Å²	131	85.7 Å²	85.7	57%	0.57	45%	0.448	S	S	*	.			trans	-87.4	155.2	-176.5	-61.6	-172.8	178.7	-174.7	0	111.8	K45 H48	K45-K50 HydrophobicContact CB-CB 4.41Å; K45-K50 PolarHBondContact O-N 3.17Å; H48-K50 HydrophobicContact CB-CG 4.38Å; H48-K50 PolarHBondContact O-N 2.85Å
51	D	63.8	Low	56.5	Low	65 Å²	65	93 Å²	93	35%	0.348	47%	0.467	S	S	.	.			trans	-71.7	134.7	175.4	-85.6	-36.9	0	0	0	110.9	W8 W53 I54	W8-D51 PolarHBondContact NE1-OD1 3.03Å; D51-W53 PolarHBondContact O-N 3.24Å; D51-W53 VanDerWaalsContact O-N 3.16Å; D51-I54 HydrophobicContact CB-CD1 4.26Å; D51-I54 HydrophobicContact CB-CG1 4.13Å
52	P	61.3	Low	55.3	Low	6 Å²	6	98.1 Å²	98.1	4%	0.039	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-29.8	-177	-28.3	36.5	0	0	0	114.8	W8 V42 K45 L46	W8-P52 HydrophobicContact CZ2-CG 4.19Å; V42-P52 HydrophobicContact CG1-CB 4.17Å; K45-P52 WeakPolarHBondContact CD-O 3.44Å; K45-P52 PolarHBondContact NZ-O 3.37Å; K45-P52 VanDerWaalsContact NZ-O 3.14Å; L46-P52 HydrophobicContact CD2-CG 3.63Å; L46-P52 HydrophobicContact CG-CG 4.01Å
53	W	63.8	Low	53.6	Low	117 Å²	117	100.8 Å²	100.8	44%	0.443	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	17.1	-163.7	-61.1	106.3	0	0	0	115.5	E5 D51 I55	E5-W53 HydrophobicContact CB-CB 4.49Å; E5-W53 HydrophobicContact CB-CG 4.37Å; E5-W53 HydrophobicContact CG-CB 3.97Å; E5-W53 HydrophobicContact CG-CG 4.32Å; D51-W53 PolarHBondContact O-N 3.24Å; D51-W53 VanDerWaalsContact O-N 3.16Å; W53-I55 PolarHBondContact O-N 2.58Å
54	I	47.8	Very low	51.6	Low	96 Å²	96	109.8 Å²	109.8	49%	0.492	52%	0.523	S	S	.	.			trans	-66.6	123.6	173.4	-59.8	172.9	0	0	0	109.8	K45 D51	K45-I54 PolarHBondContact NZ-O 3.39Å; D51-I54 HydrophobicContact CB-CD1 4.26Å; D51-I54 HydrophobicContact CB-CG1 4.13Å
55	I	39	Very low	49.3	Very low	122 Å²	122	110.4 Å²	110.4	63%	0.626	54%	0.538	S	S	*	.			trans	-58.8	143	-174	-62.5	170.9	0	0	0	112.2	W53 S57	W53-I55 PolarHBondContact O-N 2.58Å; I55-S57 PolarHBondContact O-N 3.45Å
56	E	37.3	Very low	47.4	Very low	166 Å²	166	115.4 Å²	115.4	78%	0.776	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.2	3.4	-175.2	-70.6	177.6	143.9	0	0	117.1
57	S	35.5	Very low	45.1	Very low	91 Å²	91	127.3 Å²	127.3	64%	0.636	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	-21.5	-175	59.7	0	0	0	0	114.5	I55	I55-S57 PolarHBondContact O-N 3.45Å
58	E	33.9	Very low	42.9	Very low	148 Å²	148	129 Å²	129	69%	0.692	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-19	-179.1	-68.8	-164.2	151.4	0	0	114.7
59	L	36.8	Very low	40.8	Very low	104 Å²	104	133.1 Å²	133.1	55%	0.545	64%	0.644	S	S	.	*	G	3₁₀ helix	trans	-76.3	-26.7	176.3	-87.6	156.9	0	0	0	112.6	R61 W62	L59-R61 PolarHBondContact O-N 3.07Å; L59-W62 PolarHBondContact O-N 3.46Å
60	S	32	Very low	38.9	Very low	95 Å²	95	134.3 Å²	134.3	66%	0.664	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-70	-13.9	-179.9	-62.8	0	0	0	0	114
61	R	33	Very low	37	Very low	221 Å²	221	136.6 Å²	136.6	83%	0.834	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-91.7	-8.8	179.6	-168.5	172.8	-92.8	158.6	-7.7	113.8	L59	L59-R61 PolarHBondContact O-N 3.07Å
62	W	34.2	Very low	35.2	Very low	231 Å²	231	141.8 Å²	141.8	88%	0.875	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.5	-14.7	-174.6	-79.6	80.6	0	0	0	115.1	L59	L59-W62 PolarHBondContact O-N 3.46Å
63	I	35.5	Very low	33.4	Very low	114 Å²	114	147.2 Å²	147.2	59%	0.585	73%	0.734	S	S	*	*	S	Bend	trans	-100.5	-23.9	-174.7	-54.7	-174.9	0	0	0	112.9
64	Y	32.5	Very low	31.8	Very low	197 Å²	197	147.2 Å²	147.2	77%	0.773	75%	0.752	S	S	*	*			trans	-153.4	121.6	174.5	-75.2	-82.2	0	0	0	113.3
65	P	28.2	Very low	30.9	Very low	124 Å²	124	151.5 Å²	151.5	81%	0.805	77%	0.77	S	S	*	*			trans	-85.4	125.8	157.3	22.3	-8.4	0	0	0	110
66	D	28.6	Very low	30.4	Very low	153 Å²	153	154.8 Å²	154.8	82%	0.818	78%	0.782	S	S	*	*			trans	56.6	102	165.5	-68.5	-26.4	0	0	0	120.5
67	R	28.3	Very low	30.1	Very low	252 Å²	252	155 Å²	155	95%	0.951	79%	0.787	S	S	*	*				-166.8	134.4	108.7	-110.7	-177.7	-157.3	-149.5	4.3	112.4
68	V	28.5	Very low	30	Very low	121 Å²	121	158.7 Å²	158.7	73%	0.733	80%	0.798	S	S	*	*			trans	-97.9	151	-179.2	162.7	0	0	0	0	110.5
69	K	27.2	Very low	29.9	Very low	196 Å²	196	157.6 Å²	157.6	85%	0.852	81%	0.807	S	S	*	*			trans	89.1	102.5	157.8	-83.5	160	-168.8	-173.1	0	119.6
70	G	25.7	Very low	29.5	Very low	70 Å²	70	156.3 Å²	156.3	72%	0.722	82%	0.819	S	S	*	*				83.2	111.6	116.3	0	0	0	0	0	118
71	L	24.7	Very low	29.7	Very low	179 Å²	179	161.1 Å²	161.1	94%	0.937	83%	0.831	S	S	*	*				-177.9	155.2	107.1	-116	105	0	0	0	110.6
72	E	25.4	Very low	29.8	Very low	174 Å²	174	157.9 Å²	157.9	81%	0.813	83%	0.829	S	S	*	*			trans	-71	172.9	-174.3	-62.2	170.9	135.9	0	0	114.5
73	S	24.2	Very low	29.8	Very low	120 Å²	120	154.1 Å²	154.1	84%	0.839	83%	0.825	S	S	*	*			trans	102.3	121.4	149.2	73.3	0	0	0	0	118.4
74	S	29.6	Very low	29.5	Very low	117 Å²	117	158.5 Å²	158.5	82%	0.818	84%	0.841	S	S	*	*			trans	-79.4	112.6	177.6	-45.3	0	0	0	0	110.1
75	Q	29.6	Very low	29.4	Very low	187 Å²	187	158.2 Å²	158.2	87%	0.874	85%	0.846	S	S	*	*			trans	164.4	97.5	145.6	-97.8	168.5	-16.5	0	0	108.7
76	Q	28.5	Very low	29.4	Very low	190 Å²	190	162.7 Å²	162.7	89%	0.888	85%	0.847	S	S	*	*			trans	167.1	78.1	148.4	-93.3	168.9	38	0	0	108.9
77	I	30	Very low	29.5	Very low	172 Å²	172	164.4 Å²	164.4	88%	0.882	85%	0.85	S	S	*	*			trans	-127.2	56.9	158.7	-50.2	179.4	0	0	0	107.2
78	I	32.9	Very low	29.6	Very low	167 Å²	167	160.5 Å²	160.5	86%	0.856	85%	0.847	S	S	*	*	S	Bend	trans	-141.3	79.3	153.5	-55	-179.5	0	0	0	104.8
79	S	32	Very low	29.6	Very low	125 Å²	125	162.3 Å²	162.3	87%	0.874	85%	0.851	S	S	*	*			trans	164.3	81.1	159.7	174.9	0	0	0	0	108.6
80	G	30	Very low	29.7	Very low	78 Å²	78	161.5 Å²	161.5	80%	0.804	85%	0.851	S	S	*	*			trans	-150.4	13.8	175.2	0	0	0	0	0	113.5	L82	G80-L82 VanDerWaalsContact C-N 3.32Å
81	E	35.9	Very low	29.7	Very low	195 Å²	195	169.7 Å²	169.7	91%	0.911	86%	0.86	S	S	*	*	S	Bend	trans	-94.9	17.2	-179.1	-151.7	148.4	-159.9	0	0	112.1
82	L	35.1	Very low	29.9	Very low	154 Å²	154	166 Å²	166	81%	0.806	85%	0.854	S	S	*	*	S	Bend	trans	-141.4	21.2	-174.9	-98.2	167.8	0	0	0	116.4	G80	G80-L82 VanDerWaalsContact C-N 3.32Å
83	L	33.8	Very low	29.9	Very low	151 Å²	151	162.9 Å²	162.9	79%	0.791	85%	0.849	S	S	*	*	S	Bend	trans	-141.1	56.5	169.9	-72.7	176.6	0	0	0	113
84	F	28.4	Very low	30	Very low	207 Å²	207	166 Å²	166	91%	0.908	85%	0.848	S	S	*	*	S	Bend	trans	-125.2	17.9	158.4	-149	-98.8	0	0	0	112.3
85	Q	30.7	Very low	29.8	Very low	190 Å²	190	167.8 Å²	167.8	89%	0.888	85%	0.848	S	S	*	*	S	Bend	trans	-119.2	17	-178	-119.4	177	-7.6	0	0	113.9
86	R	28.6	Very low	29.7	Very low	218 Å²	218	166.1 Å²	166.1	82%	0.823	85%	0.846	S	S	*	*	S	Bend	trans	-139.4	21.4	-175.8	-135.7	-177.6	-157.4	-179.9	5.6	117.8
87	E	31.1	Very low	29.8	Very low	190 Å²	190	162 Å²	162	89%	0.888	84%	0.838	S	S	*	*	S	Bend	trans	-141.9	29.8	178.2	-123.4	173.7	-173.2	0	0	115.3
88	I	29.9	Very low	29.7	Very low	170 Å²	170	161.5 Å²	161.5	87%	0.872	84%	0.836	S	S	*	*	S	Bend	trans	-133.5	38.3	159.4	-46	179.6	0	0	0	109.5
89	L	27.7	Very low	29.6	Very low	158 Å²	158	163.9 Å²	163.9	83%	0.827	84%	0.836	S	S	*	*	S	Bend	trans	-143.7	32.8	176.8	-121.4	165.2	0	0	0	112.9
90	E	30	Very low	29.6	Very low	180 Å²	180	162 Å²	162	84%	0.841	82%	0.822	S	S	*	*	S	Bend	trans	-146.9	64.8	170	-86.1	-69.8	158.3	0	0	109.3
91	R	26.8	Very low	29.8	Very low	242 Å²	242	163.8 Å²	163.8	91%	0.913	82%	0.817	S	S	*	*			trans	169	79.3	149.8	-99.6	169.7	163	118.4	-4.9	110.5
92	A	27.9	Very low	29.4	Very low	100 Å²	100	162.8 Å²	162.8	83%	0.826	82%	0.817	S	S	*	*			trans	-99	140.4	148.3	0	0	0	0	0	107.7
93	P	24.4	Very low	29	Very low	109 Å²	109	164.6 Å²	164.6	71%	0.708	82%	0.819	S	S	*	*				-132.2	126.8	129.9	17	2.7	0	0	0	113.2
94	K	26.8	Very low	28.9	Very low	186 Å²	186	164.6 Å²	164.6	81%	0.809	82%	0.818	S	S	*	*			trans	58.1	106.2	135.5	-54.6	178	-177.7	-179.9	0	115.5
95	D	26.6	Very low	28.8	Very low	154 Å²	154	165.6 Å²	165.6	82%	0.824	82%	0.816	S	S	*	*				-151.7	130.1	69.4	-74.5	-35.9	0	0	0	115.6
96	N	27.6	Very low	28.4	Very low	153 Å²	153	164.1 Å²	164.1	82%	0.818	81%	0.809	S	S	*	*			trans	26.9	107.5	153.5	-73.9	-7.5	0	0	0	122.2
97	S	29.1	Very low	28.3	Very low	103 Å²	103	161.6 Å²	161.6	72%	0.72	81%	0.81	S	S	*	*				160.4	65.1	97.8	62.9	0	0	0	0	113.1	Y99	S97-Y99 VanDerWaalsContact C-N 3.32Å; S97-Y99 PolarHBondContact O-N 3.47Å
98	L	29.3	Very low	27.9	Very low	161 Å²	161	158.2 Å²	158.2	84%	0.843	80%	0.798	S	S	*	*			trans	-85.6	75.3	160.3	-85.9	167.8	0	0	0	109.8
99	Y	30.4	Very low	27.9	Very low	218 Å²	218	156.5 Å²	156.5	86%	0.855	79%	0.79	S	S	*	*	S	Bend	trans	-127.2	8.4	166.8	-158.2	-99.6	0	0	0	113.5	S97	S97-Y99 VanDerWaalsContact C-N 3.32Å; S97-Y99 PolarHBondContact O-N 3.47Å
100	S	31.3	Very low	27.9	Very low	84 Å²	84	157.8 Å²	157.8	59%	0.587	79%	0.792	S	S	*	*	S	Bend	trans	-126.4	-2.6	-172.8	48.2	0	0	0	0	116.4
101	V	33.9	Very low	27.5	Very low	116 Å²	116	157.7 Å²	157.7	70%	0.703	79%	0.794	S	S	*	*	S	Bend	trans	-107.5	-9.8	-176	-174.5	0	0	0	0	113.8
102	L	27.8	Very low	27.5	Very low	175 Å²	175	153.8 Å²	153.8	92%	0.916	79%	0.791	S	S	*	*	S	Bend	trans	-101.8	15	-179.2	-105	146.7	0	0	0	114.9
103	K	27.6	Very low	27.3	Very low	191 Å²	191	159.5 Å²	159.5	83%	0.83	79%	0.791	S	S	*	*	S	Bend	trans	-119.2	21.6	179.9	-144	-177.7	-177.3	-179.3	0	115.7
104	I	30	Very low	27.3	Very low	152 Å²	152	164.5 Å²	164.5	78%	0.779	80%	0.797	S	S	*	*	S	Bend	trans	-117.8	4.9	176.2	-54.8	179.8	0	0	0	112.4
105	W	26.4	Very low	27.3	Very low	227 Å²	227	164 Å²	164	86%	0.86	80%	0.798	S	S	*	*	S	Bend	trans	-101	12.4	-176.7	-147.4	65.8	0	0	0	116.4
106	H	23.5	Very low	27.2	Very low	160 Å²	160	159.7 Å²	159.7	74%	0.741	79%	0.79	S	S	*	*	S	Bend	trans	-158.4	61.2	173	-104.3	-64.6	0	0	0	114.2
107	I	26.5	Very low	27.6	Very low	165 Å²	165	160 Å²	160	85%	0.846	79%	0.792	S	S	*	*			trans	-150.6	72.6	147	-56.1	-173.9	0	0	0	103.9
108	D	22.5	Very low	27.6	Very low	119 Å²	119	163.7 Å²	163.7	64%	0.636	80%	0.798	S	S	*	*				43.1	114.2	93.7	-133.8	39	0	0	0	113.4	Q110	D108-Q110 PolarHBondContact O-N 3.24Å
109	N	29.4	Very low	27.7	Very low	133 Å²	133	163.2 Å²	163.2	71%	0.711	80%	0.796	S	S	*	*	S	Bend	trans	50.5	71.9	138.5	-71.3	-37.8	0	0	0	116.6
110	Q	27.7	Very low	27.8	Very low	185 Å²	185	164 Å²	164	86%	0.864	80%	0.797	S	S	*	*			trans	179.3	101.8	135.9	-77.2	-125.7	55	0	0	109.7	D108	D108-Q110 PolarHBondContact O-N 3.24Å
111	M	22.6	Very low	27.8	Very low	179 Å²	179	165.4 Å²	165.4	88%	0.882	80%	0.802	S	S	*	*			trans	173.5	67.8	142.1	-86.1	-44.1	-177.5	0	0	107.9
112	D	25.6	Very low	27.7	Very low	160 Å²	160	167.5 Å²	167.5	86%	0.856	81%	0.809	S	S	*	*			trans	-70.3	131.9	147.2	-114.6	-28	0	0	0	107.2
113	R	25.3	Very low	27.9	Very low	220 Å²	220	170.1 Å²	170.1	83%	0.83	81%	0.807	S	S	*	*			trans	110.1	130.9	173.6	-62.9	175.7	-169.7	174.4	6.1	114.8
114	Y	23.5	Very low	28	Very low	213 Å²	213	169.2 Å²	169.2	84%	0.835	81%	0.805	S	S	*	*			trans	80.9	97.9	176.3	-68.9	-91.3	0	0	0	116.3
115	Q	26.5	Very low	28	Very low	175 Å²	175	168 Å²	168	82%	0.818	81%	0.805	S	S	*	*				-162.4	93	114.9	-144.5	82.4	-2	0	0	109.2
116	G	25.5	Very low	28.2	Very low	64 Å²	64	163.4 Å²	163.4	66%	0.66	80%	0.802	S	S	*	*			trans	-78.8	158.6	153.1	0	0	0	0	0	109.5
117	N	34.4	Very low	28.8	Very low	160 Å²	160	161.8 Å²	161.8	86%	0.856	80%	0.803	S	S	*	*			trans	71.6	82.6	174.8	-71.1	-23.2	0	0	0	117.4
118	Q	30.1	Very low	28.9	Very low	180 Å²	180	161.8 Å²	161.8	84%	0.841	80%	0.803	S	S	*	*			trans	-138.4	53.9	143.8	-79.7	-160.7	-22.9	0	0	111.8
119	D	31.4	Very low	29.1	Very low	152 Å²	152	161.8 Å²	161.8	81%	0.813	81%	0.812	S	S	*	*	S	Bend	trans	-114	21.4	168.7	-132	-0.6	0	0	0	111.9
120	R	31.9	Very low	29.2	Very low	233 Å²	233	167 Å²	167	88%	0.879	82%	0.822	S	S	*	*	S	Bend	trans	-118.7	8.5	-178.1	-133.1	178.9	93.6	-176.2	6.2	115.2
121	V	32.3	Very low	29.2	Very low	114 Å²	114	166.9 Å²	166.9	69%	0.691	82%	0.821	S	S	*	*	S	Bend	trans	-119.2	-10.2	178.7	-177.9	0	0	0	0	113.2	R123	V121-R123 PolarHBondContact O-N 2.75Å
122	L	31.3	Very low	29.3	Very low	160 Å²	160	164.9 Å²	164.9	84%	0.838	82%	0.82	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.1	27.5	177.3	-142.8	80.1	0	0	0	114.4
123	R	30.9	Very low	29.4	Very low	231 Å²	231	165.3 Å²	165.3	87%	0.872	82%	0.821	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.7	16.1	171	-77.3	-167.4	-176.9	-170.5	2.1	113.6	V121	V121-R123 PolarHBondContact O-N 2.75Å
124	Q	30.6	Very low	29.4	Very low	171 Å²	171	160.7 Å²	160.7	80%	0.799	82%	0.818	S	S	*	*	S	Bend	trans	-128.6	12.9	-178.7	-140.4	154.8	4.1	0	0	114.2
125	V	30.3	Very low	29.4	Very low	127 Å²	127	157.2 Å²	157.2	77%	0.77	81%	0.813	S	S	*	*	S	Bend	trans	-130.8	32.5	175.1	-163.3	0	0	0	0	112
126	T	31.3	Very low	29.2	Very low	131 Å²	131	157 Å²	157	80%	0.804	81%	0.812	S	S	*	*	S	Bend	trans	-127.6	31	165.7	28.8	0	0	0	0	111.9
127	V	34.8	Very low	29.1	Very low	126 Å²	126	163.1 Å²	163.1	76%	0.764	83%	0.826	S	S	*	*	S	Bend	trans	-125	130.9	156.1	-179	0	0	0	0	104
128	I	29.1	Very low	28.6	Very low	164 Å²	164	158.8 Å²	158.8	84%	0.841	82%	0.82	S	S	*	*	S	Bend	trans	89.7	73.8	-166.7	-43.5	162.3	0	0	0	113.9
129	S	26.5	Very low	28.3	Very low	120 Å²	120	154.9 Å²	154.9	84%	0.839	81%	0.812	S	S	*	*			trans	173.9	62.3	130.2	41.4	0	0	0	0	108.5
130	R	31.1	Very low	28	Very low	243 Å²	243	157.9 Å²	157.9	92%	0.917	82%	0.818	S	S	*	*	S	Bend	trans	-136	62.6	163.4	-154.1	-176.9	-157.2	-173.7	4.7	108.1
131	E	28.9	Very low	27.5	Very low	181 Å²	181	157 Å²	157	85%	0.846	82%	0.816	S	S	*	*			trans	-165.2	137.4	165.8	-105.9	158.6	-151.7	0	0	106.2
132	T	25.2	Very low	27.1	Very low	138 Å²	138	156.8 Å²	156.8	85%	0.847	82%	0.819	S	S	*	*	S	Bend	trans	101.9	117.6	-176.7	74.9	0	0	0	0	116.4
133	L	26.3	Very low	26.8	Very low	168 Å²	168	153.4 Å²	153.4	88%	0.88	81%	0.814	S	S	*	*			trans	97.4	58.6	166.8	-52.7	170.7	0	0	0	116.7
134	T	25	Very low	26.3	Very low	124 Å²	124	152.2 Å²	152.2	76%	0.761	82%	0.816	S	S	*	*				-77.2	123.7	125.2	46.4	0	0	0	0	108.1
135	D	23.3	Very low	25.8	Very low	140 Å²	140	146.9 Å²	146.9	75%	0.749	81%	0.807	S	S	*	*				173.3	138.3	123.5	-90.8	-15.3	0	0	0	113.7
136	E	23.5	Very low	25.5	Very low	170 Å²	170	150.6 Å²	150.6	79%	0.794	81%	0.813	S	S	*	*			trans	59.1	99.8	145.8	-63.3	-171.1	156.3	0	0	122.1
137	M	24	Very low	25.1	Very low	192 Å²	192	153.7 Å²	153.7	95%	0.946	82%	0.82	S	S	*	*				167.2	128.6	111.7	-94.3	-178.1	173.6	0	0	107.2
138	G	23.2	Very low	24.4	Very low	70 Å²	70	156 Å²	156	72%	0.722	82%	0.821	S	S	*	*			cis	119.3	85.1	26.7	0	0	0	0	0	109.3
139	S	24.1	Very low	24.1	Very low	97 Å²	97	154.4 Å²	154.4	68%	0.678	81%	0.814	S	S	*	*			trans	77.2	107.2	146	-138.7	0	0	0	0	120.5
140	K	25	Very low	23.8	Very low	216 Å²	216	159.7 Å²	159.7	94%	0.939	82%	0.815	S	S	*	*				-132.4	97.6	116.5	-79.1	-168.5	-180	177.9	0	109.4
141	Y	22	Very low	23.3	Very low	215 Å²	215	153.6 Å²	153.6	84%	0.843	81%	0.809	S	S	*	*			trans	-69.6	146.1	159.9	-91.2	-99.9	0	0	0	110.4
142	S	23.8	Very low	22.9	Very low	109 Å²	109	150.6 Å²	150.6	76%	0.762	80%	0.803	S	S	*	*				155	108.2	120.9	175.8	0	0	0	0	112.8
143	A	23.6	Very low	22.7	Very low	88 Å²	88	150.9 Å²	150.9	73%	0.727	80%	0.799	S	S	*	*				174.7	94.8	128.7	0	0	0	0	0	107
144	F	20.4	Very low	22.5	Very low	206 Å²	206	151.3 Å²	151.3	90%	0.904	80%	0.801	S	S	*	*				45.4	111.9	105.9	-91.7	-95.9	0	0	0	112.4
145	G	20.8	Very low	22.2	Very low	59 Å²	59	149.7 Å²	149.7	61%	0.608	80%	0.801	S	S	*	*			cis	97.4	92.6	40.9	0	0	0	0	0	110.2
146	K	23.6	Very low	22.8	Very low	206 Å²	206	148.8 Å²	148.8	90%	0.896	80%	0.802	S	S	*	*			trans	78.5	122.5	153.3	-52.6	172.6	-177.8	177	0	118.1
147	M	22.6	Very low	22.7	Very low	196 Å²	196	149 Å²	149	97%	0.966	81%	0.808	S	S	*	*				-153.5	154.2	124.5	-99	-167.1	76.9	0	0	110.4
148	F	20.1	Very low	22.6	Very low	175 Å²	175	144.6 Å²	144.6	77%	0.768	80%	0.796	S	S	*	*			trans	-113.7	144.3	-146.5	-137.8	-111.6	0	0	0	110.7
149	N	22.8	Very low	22.5	Very low	130 Å²	130	150.1 Å²	150.1	70%	0.695	80%	0.803	S	S	*	*			trans	64.3	126.9	140.4	-93.2	-5.1	0	0	0	125.1
150	R	21	Very low	22.5	Very low	230 Å²	230	154.3 Å²	154.3	87%	0.868	81%	0.809	S	S	*	*				145.8	118	118.3	-92.3	175	177.9	-169.8	-0.6	111.1
151	C	20.3	Very low	22.3	Very low	116 Å²	116	153.8 Å²	153.8	78%	0.784	81%	0.807	S	S	*	*				52.2	125.3	90.6	-76	0	0	0	0	112.2
152	T	21.1	Very low	22.4	Very low	118 Å²	118	151.7 Å²	151.7	72%	0.724	81%	0.805	S	S	*	*				-170.1	148.1	54.3	36.3	0	0	0	0	112.2
153	D	20.1	Very low	22.3	Very low	144 Å²	144	156.1 Å²	156.1	77%	0.77	81%	0.81	S	S	*	*			trans	47.6	122.4	135.9	-55	-37.1	0	0	0	122.9
154	L	21.5	Very low	22.3	Very low	177 Å²	177	161.3 Å²	161.3	93%	0.927	82%	0.817	S	S	*	*				-172.5	119.6	118.4	-95.4	161.6	0	0	0	110.5
155	A	19.4	Very low	22.4	Very low	90 Å²	90	156 Å²	156	74%	0.744	80%	0.798	S	S	*	*			trans	-117.7	173.2	152.1	0	0	0	0	0	106.8
156	P	35.2	Very low	22.6	Very low	120 Å²	120	158.7 Å²	158.7	78%	0.779	81%	0.807	S	S	*	*			cis	-129.1	167.9	-11.8	37.7	-21.9	0	0	0	112.3
157	L	22.1	Very low	22.6	Very low	174 Å²	174	154 Å²	154	91%	0.911	80%	0.799	S	S	*	*			trans	-156.5	127.1	147.4	-105.6	170	0	0	0	111.5
158	S	21.2	Very low	22.7	Very low	100 Å²	100	150.2 Å²	150.2	70%	0.699	78%	0.779	S	S	*	*			trans	-74.3	139.1	-179.5	52.7	0	0	0	0	113.4
159	Q	22	Very low	23	Very low	187 Å²	187	147.5 Å²	147.5	87%	0.874	77%	0.773	S	S	*	*				-167.8	128.1	127.8	-111.7	169	-0.9	0	0	113.9
160	K	23.4	Very low	23.1	Very low	184 Å²	184	145.9 Å²	145.9	80%	0.8	77%	0.772	S	S	*	*			trans	-20.9	127.9	169.8	-68.6	165.6	175.5	173	0	117.3
161	F	20.8	Very low	23.5	Very low	205 Å²	205	141.6 Å²	141.6	90%	0.899	77%	0.765	S	S	*	*			trans	-132.9	119.2	140.8	-89.4	-81.3	0	0	0	110.7	K163	F161-K163 PolarHBondContact O-N 3.22Å
162	H	24.5	Very low	23.7	Very low	172 Å²	172	143 Å²	143	80%	0.796	76%	0.758	S	S	*	*			trans	-58.2	110.6	174.4	-94.6	-91.3	0	0	0	110.9
163	K	22.3	Very low	23.9	Very low	202 Å²	202	140.5 Å²	140.5	88%	0.878	75%	0.745	S	S	*	*			trans	-94.1	107.6	161.9	-87.3	179.8	177	174.1	0	109.1	F161 D165	F161-K163 PolarHBondContact O-N 3.22Å; K163-D165 PolarHBondContact O-N 2.91Å
164	F	22.4	Very low	24.2	Very low	197 Å²	197	138.6 Å²	138.6	86%	0.864	74%	0.735	S	S	*	*			trans	-67	113.6	165	-100.8	-91.9	0	0	0	109.3	S166	F164-S166 PolarHBondContact O-N 3.04Å
165	D	22.7	Very low	24.5	Very low	94 Å²	94	132.8 Å²	132.8	50%	0.503	71%	0.709	S	S	.	*			trans	-70.3	109.1	173	-104.9	-35.2	0	0	0	110.7	K163 K284	K163-D165 PolarHBondContact O-N 2.91Å; D165-K284 IonicContact OD1-NZ 3.36Å; D165-K284 PolarHBondContact OD1-NZ 3.12Å; D165-K284 VanDerWaalsContact OD2-CE 3.3Å; D165-K284 WeakPolarHBondContact OD2-CE 3.49Å; D165-K284 IonicContact OD2-NZ 3.05Å; D165-K284 PolarHBondContact OD2-NZ 2.87Å
166	S	25.6	Very low	24.9	Very low	115 Å²	115	133.1 Å²	133.1	80%	0.804	70%	0.698	S	S	*	*			trans	-93.8	12.1	175.3	-160.7	0	0	0	0	113.6	F164	F164-S166 PolarHBondContact O-N 3.04Å
167	C	24.8	Very low	24.6	Very low	107 Å²	107	131.4 Å²	131.4	72%	0.723	68%	0.682	S	S	*	*	S	Bend	trans	-116.1	20.5	-174.5	-127.4	0	0	0	0	115.9
168	E	24.1	Very low	25	Very low	117 Å²	117	128.8 Å²	128.8	55%	0.547	67%	0.668	S	S	.	*	S	Bend	trans	-113	-15.4	173.8	-138.4	174.6	-176.5	0	0	113.9	S170	E168-S170 PolarHBondContact O-N 3.23Å
169	N	25.6	Very low	25.3	Very low	119 Å²	119	128 Å²	128	64%	0.636	66%	0.656	S	S	*	*	H	α-helix	trans	-83.8	-5	-174.1	-73.7	-19.1	0	0	0	115.6	S173	N169-S173 PolarHBondContact O-OG 2.85Å
170	S	25.8	Very low	25.6	Very low	96 Å²	96	125.1 Å²	125.1	67%	0.671	64%	0.638	S	S	*	*	H	α-helix	trans	-89.6	-11.7	176.7	-68.3	0	0	0	0	114.5	E168	E168-S170 PolarHBondContact O-N 3.23Å
171	L	27.9	Very low	25.9	Very low	139 Å²	139	121.4 Å²	121.4	73%	0.728	63%	0.627	S	S	*	*	H	α-helix	trans	-96.5	-27.8	179	-78.2	166.7	0	0	0	113.4
172	K	25.1	Very low	26.3	Very low	146 Å²	146	117.3 Å²	117.3	64%	0.635	61%	0.606	S	S	*	*	H	α-helix	trans	-72.2	-35.1	174.1	-83.4	178.4	174.4	175.3	0	113	N174 S175 D176	K172-N174 VanDerWaalsContact C-N 3.27Å; K172-N174 PolarHBondContact O-N 3.37Å; K172-S175 PolarHBondContact O-N 3.21Å; K172-S175 PolarHBondContact O-OG 3.07Å; K172-D176 PolarHBondContact O-N 2.96Å
173	S	25.3	Very low	26.5	Very low	65 Å²	65	112.5 Å²	112.5	46%	0.455	59%	0.592	S	S	.	*	H	α-helix	trans	-65	-26.7	-178.1	-41.9	0	0	0	0	114.1	N169 L177	N169-S173 PolarHBondContact O-OG 2.85Å; S173-L177 PolarHBondContact O-N 3.45Å
174	N	26.6	Very low	26.8	Very low	104 Å²	104	111.2 Å²	111.2	56%	0.556	58%	0.583	S	S	*	*	H	α-helix	trans	-80.4	-28.1	178.9	-83.4	-37.1	0	0	0	113.3	K172 L178	K172-N174 VanDerWaalsContact C-N 3.27Å; K172-N174 PolarHBondContact O-N 3.37Å; N174-L178 PolarHBondContact O-N 2.86Å
175	S	27.7	Very low	27.2	Very low	55 Å²	55	105.9 Å²	105.9	39%	0.385	58%	0.575	S	S	.	*	H	α-helix	trans	-72.6	-34.3	172.1	59.8	0	0	0	0	111.7	K172 L178 N179	K172-S175 PolarHBondContact O-N 3.21Å; K172-S175 PolarHBondContact O-OG 3.07Å; S175-L178 PolarHBondContact O-N 3.35Å; S175-N179 WeakPolarHBondContact O-CB 3.23Å; S175-N179 VanDerWaalsContact O-CG 3.26Å; S175-N179 PolarHBondContact O-N 3.06Å; S175-N179 PolarHBondContact O-ND2 3.05Å
176	D	27.6	Very low	27.6	Very low	97 Å²	97	111 Å²	111	52%	0.519	59%	0.587	S	S	.	*	H	α-helix	trans	-74	-35.7	-178.3	-61.4	-21.5	0	0	0	112	K172 N179 Y180	K172-D176 PolarHBondContact O-N 2.96Å; D176-N179 PolarHBondContact O-N 3.45Å; D176-Y180 WeakPolarHBondContact O-CB 3.33Å; D176-Y180 PolarHBondContact O-N 3.26Å
177	L	29.1	Very low	27.8	Very low	84 Å²	84	113.7 Å²	113.7	44%	0.44	58%	0.584	S	S	.	*	H	α-helix	trans	-65.8	-35.2	170.6	-97	150.7	0	0	0	113.1	S173 N181	S173-L177 PolarHBondContact O-N 3.45Å; L177-N181 PolarHBondContact O-N 2.85Å; L177-N181 PolarHBondContact O-ND2 3.43Å
178	L	29.8	Very low	28	Very low	119 Å²	119	116.1 Å²	116.1	62%	0.623	59%	0.59	S	S	*	*	H	α-helix	trans	-76.3	-29.2	175.3	-78.8	167.2	0	0	0	112.6	N174 S175 R182	N174-L178 PolarHBondContact O-N 2.86Å; S175-L178 PolarHBondContact O-N 3.35Å; L178-R182 PolarHBondContact O-N 3.37Å
179	N	28.4	Very low	28.2	Very low	83 Å²	83	115.6 Å²	115.6	44%	0.444	60%	0.597	S	S	.	*	H	α-helix	trans	-80.2	-35.1	176.4	-75.3	-22.4	0	0	0	112.4	S175 D176 R182 S183	S175-N179 WeakPolarHBondContact O-CB 3.23Å; S175-N179 VanDerWaalsContact O-CG 3.26Å; S175-N179 PolarHBondContact O-N 3.06Å; S175-N179 PolarHBondContact O-ND2 3.05Å; D176-N179 PolarHBondContact O-N 3.45Å; N179-R182 PolarHBondContact O-N 3.43Å; N179-R182 VanDerWaalsContact O-N 3.15Å; N179-S183 PolarHBondContact O-N 3.41Å
180	Y	29.2	Very low	28.5	Very low	127 Å²	127	116.4 Å²	116.4	50%	0.498	61%	0.606	S	S	.	*	H	α-helix	trans	-62.6	-43.4	174.8	-170.3	-95.3	0	0	0	111.9	D176 R182 S183 Y184	D176-Y180 WeakPolarHBondContact O-CB 3.33Å; D176-Y180 PolarHBondContact O-N 3.26Å; Y180-R182 VanDerWaalsContact C-N 3.27Å; Y180-R182 PolarHBondContact O-N 3.3Å; Y180-S183 PolarHBondContact O-N 3.06Å; Y180-Y184 HydrophobicContact CE1-CD2 4.31Å; Y180-Y184 HydrophobicContact CE1-CE2 4.41Å; Y180-Y184 PolarHBondContact O-N 3.02Å
181	N	29.4	Very low	28.4	Very low	107 Å²	107	120.6 Å²	120.6	57%	0.572	61%	0.612	S	S	*	*	H	α-helix	trans	-67.7	-23.3	174.6	-73.9	-28.8	0	0	0	113.6	L177	L177-N181 PolarHBondContact O-N 2.85Å; L177-N181 PolarHBondContact O-ND2 3.43Å
182	R	28	Very low	28.7	Very low	118 Å²	118	125.8 Å²	125.8	45%	0.445	62%	0.622	S	S	.	*	H	α-helix	trans	-82.3	-27.9	177.1	-132.5	-178.4	-151.7	131.5	6	113	L178 N179 Y180 K256	L178-R182 PolarHBondContact O-N 3.37Å; N179-R182 PolarHBondContact O-N 3.43Å; N179-R182 VanDerWaalsContact O-N 3.15Å; Y180-R182 VanDerWaalsContact C-N 3.27Å; Y180-R182 PolarHBondContact O-N 3.3Å; R182-K256 VanDerWaalsContact NH1-CE 3.34Å
183	S	29.6	Very low	28.7	Very low	71 Å²	71	127.2 Å²	127.2	50%	0.497	63%	0.629	S	S	.	*	H	α-helix	trans	-71.3	-41.5	176.5	-178.8	0	0	0	0	111.6	N179 Y180 A185 R186	N179-S183 PolarHBondContact O-N 3.41Å; Y180-S183 PolarHBondContact O-N 3.06Å; S183-A185 PolarHBondContact O-N 2.94Å; S183-R186 PolarHBondContact O-N 3.15Å
184	Y	28.7	Very low	28.6	Very low	176 Å²	176	135.4 Å²	135.4	69%	0.69	65%	0.65	S	S	*	*	H	α-helix	trans	-68.6	-30.3	178.6	-108.5	-88.2	0	0	0	113.6	Y180 R186	Y180-Y184 HydrophobicContact CE1-CD2 4.31Å; Y180-Y184 HydrophobicContact CE1-CE2 4.41Å; Y180-Y184 PolarHBondContact O-N 3.02Å; Y184-R186 VanDerWaalsContact C-N 3.29Å; Y184-R186 PolarHBondContact O-N 3.38Å
185	A	29.7	Very low	28.6	Very low	85 Å²	85	137.2 Å²	137.2	70%	0.702	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-8.5	176.2	0	0	0	0	0	114.4	S183	S183-A185 PolarHBondContact O-N 2.94Å
186	R	31	Very low	28.4	Very low	201 Å²	201	137.9 Å²	137.9	76%	0.758	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	-8.6	-179.5	-79.4	-175.1	-179.3	175.7	-1.3	114.6	S183 Y184	S183-R186 PolarHBondContact O-N 3.15Å; Y184-R186 VanDerWaalsContact C-N 3.29Å; Y184-R186 PolarHBondContact O-N 3.38Å
187	K	30.5	Very low	28.3	Very low	172 Å²	172	144.8 Å²	144.8	75%	0.748	70%	0.704	S	S	*	*	S	Bend	trans	-108	67.9	173.8	-71.7	-171.9	178.8	-176.7	0	110.9
188	N	28.1	Very low	28.2	Very low	157 Å²	157	146.3 Å²	146.3	84%	0.84	72%	0.718	S	S	*	*			trans	165.9	94.5	146	-89.3	-30.7	0	0	0	111.2
189	P	29.1	Very low	28.1	Very low	107 Å²	107	146.8 Å²	146.8	70%	0.695	73%	0.729	S	S	*	*	S	Bend	trans	-100.1	124.1	143.8	17.1	1.1	0	0	0	108.9
190	T	31.6	Very low	28	Very low	135 Å²	135	151.9 Å²	151.9	83%	0.828	75%	0.747	S	S	*	*			trans	62.3	95.9	159.1	61.5	0	0	0	0	118.4
191	K	25.2	Very low	27.7	Very low	185 Å²	185	156.4 Å²	156.4	80%	0.804	76%	0.764	S	S	*	*			trans	-132.1	104	139.8	-97.3	-176.8	178	-176.8	0	109.8	F193	K191-F193 HydrophobicContact CB-CD2 4.18Å; K191-F193 HydrophobicContact CB-CE2 4.34Å; K191-F193 HydrophobicContact CD-CE2 4.06Å; K191-F193 HydrophobicContact CG-CE2 4.24Å; K191-F193 PolarHBondContact O-N 3.25Å
192	R	33.4	Very low	27.5	Very low	247 Å²	247	157.9 Å²	157.9	93%	0.932	77%	0.773	S	S	*	*			trans	-62.2	114.7	165.3	-161.1	-179.3	-164	-176.4	4.1	107
193	F	24	Very low	27.3	Very low	177 Å²	177	156.6 Å²	156.6	78%	0.776	79%	0.787	S	S	*	*			trans	-133.6	131.6	165.3	-90	-81.4	0	0	0	111.7	K191	K191-F193 HydrophobicContact CB-CD2 4.18Å; K191-F193 HydrophobicContact CB-CE2 4.34Å; K191-F193 HydrophobicContact CD-CE2 4.06Å; K191-F193 HydrophobicContact CG-CE2 4.24Å; K191-F193 PolarHBondContact O-N 3.25Å
194	R	24.5	Very low	27	Very low	236 Å²	236	158.3 Å²	158.3	89%	0.891	80%	0.799	S	S	*	*			trans	-59.5	147.2	-176.1	-65.1	173.7	-169.1	-158.3	0.6	111.1	G196	R194-G196 PolarHBondContact O-N 3.24Å
195	C	25.6	Very low	26.6	Very low	143 Å²	143	155.6 Å²	155.6	97%	0.966	81%	0.805	S	S	*	*			trans	-63.7	114.7	162.5	-144.5	0	0	0	0	108.4
196	G	24	Very low	26.3	Very low	69 Å²	69	157 Å²	157	71%	0.711	81%	0.809	S	S	*	*			trans	-123.2	130.9	175.6	0	0	0	0	0	109.4	R194	R194-G196 PolarHBondContact O-N 3.24Å
197	R	24.8	Very low	26	Very low	242 Å²	242	153.7 Å²	153.7	91%	0.913	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-49.9	154.3	-172.6	-76	176.1	179	-178.2	-1.1	115.4
198	P	27.3	Very low	25.9	Very low	115 Å²	115	150.9 Å²	150.9	75%	0.747	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-81	154.8	169.5	34.4	-32.3	0	0	0	112
199	P	28.5	Very low	25.6	Very low	130 Å²	130	151.3 Å²	151.3	84%	0.844	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-85.3	137.2	166.4	16.3	-1.2	0	0	0	111.7
200	K	25.7	Very low	25.5	Very low	189 Å²	189	156.3 Å²	156.3	82%	0.822	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-78	148.2	173.8	-63.3	177.1	175.1	-178.2	0	110.8
201	Y	23.9	Very low	25.1	Very low	222 Å²	222	158.8 Å²	158.8	87%	0.871	82%	0.82	S	S	*	*				-152.9	115.1	129.4	-105	-80.4	0	0	0	110.9
202	N	23.9	Very low	25	Very low	139 Å²	139	153.1 Å²	153.1	74%	0.743	81%	0.814	S	S	*	*			trans	25.7	124.7	149.6	-57.1	-11.4	0	0	0	121.8
203	A	24.2	Very low	24.7	Very low	90 Å²	90	150.8 Å²	150.8	74%	0.744	81%	0.811	S	S	*	*				-172.6	128.6	93.3	0	0	0	0	0	113.4
204	S	22.9	Very low	24.7	Very low	108 Å²	108	149.8 Å²	149.8	76%	0.755	81%	0.812	S	S	*	*			trans	64.9	104.2	146.9	43.1	0	0	0	0	122.8
205	C	21.6	Very low	24.7	Very low	119 Å²	119	147 Å²	147	80%	0.804	81%	0.809	S	S	*	*				65.7	105.5	122.7	-59.4	0	0	0	0	120.5
206	S	23.1	Very low	24.6	Very low	115 Å²	115	146.4 Å²	146.4	80%	0.804	80%	0.801	S	S	*	*				159.6	115.9	95.2	-61	0	0	0	0	109.7
207	V	24.7	Very low	24.5	Very low	130 Å²	130	146.6 Å²	146.6	79%	0.788	80%	0.803	S	S	*	*			trans	-122.9	153.3	157.5	-156.7	0	0	0	0	106.1	E209	V207-E209 VanDerWaalsContact CG1-N 3.34Å
208	P	27.9	Very low	24.4	Very low	114 Å²	114	144.5 Å²	144.5	74%	0.74	81%	0.806	S	S	*	*				-130.7	120.8	114.7	14.7	5.1	0	0	0	110.5
209	E	22.6	Very low	24.3	Very low	165 Å²	165	147.8 Å²	147.8	77%	0.771	81%	0.811	S	S	*	*				70.2	116.6	92.4	-75.4	-179.4	172.8	0	0	113	V207	V207-E209 VanDerWaalsContact CG1-N 3.34Å
210	K	26	Very low	24.6	Very low	212 Å²	212	146.5 Å²	146.5	92%	0.922	80%	0.803	S	S	*	*				-167.1	143.9	117	-99.9	168.1	-173.5	-174.3	0	112
211	E	23.4	Very low	24.5	Very low	188 Å²	188	149.1 Å²	149.1	88%	0.879	81%	0.81	S	S	*	*			trans	-88.9	163.1	-164.3	-60.6	168.6	128.3	0	0	113.2
212	G	23.9	Very low	24.7	Very low	65 Å²	65	142 Å²	142	67%	0.67	80%	0.804	S	S	*	*			trans	82.2	118.7	137	0	0	0	0	0	117.5
213	F	25.5	Very low	25	Very low	199 Å²	199	142.8 Å²	142.8	87%	0.873	81%	0.808	S	S	*	*				172.7	130.8	104.2	-103.3	-88.5	0	0	0	109.9
214	I	24.6	Very low	25.6	Very low	156 Å²	156	143.8 Å²	143.8	80%	0.8	81%	0.809	S	S	*	*			trans	-95.3	127.9	165.8	-59.5	174.8	0	0	0	106.2
215	H	25.1	Very low	26	Very low	178 Å²	178	146.8 Å²	146.8	82%	0.824	81%	0.811	S	S	*	*			trans	-138.8	129.6	157.4	-119.4	-70.9	0	0	0	110.2
216	T	22.9	Very low	26.4	Very low	129 Å²	129	145.9 Å²	145.9	79%	0.791	81%	0.805	S	S	*	*			trans	-80.2	142.1	177	32.4	0	0	0	0	112.3
217	G	22.1	Very low	26.8	Very low	74 Å²	74	148.2 Å²	148.2	76%	0.763	80%	0.803	S	S	*	*			trans	110.9	100.8	142.2	0	0	0	0	0	118.4
218	M	23.4	Very low	27.2	Very low	198 Å²	198	150.3 Å²	150.3	98%	0.975	80%	0.802	S	S	*	*				173.6	134.4	116.9	-91.5	-170.5	176.5	0	0	110.7
219	E	23.7	Very low	27.6	Very low	183 Å²	183	148.9 Å²	148.9	86%	0.855	79%	0.791	S	S	*	*			trans	-71.1	-165.9	-178.7	-54.7	-175	140.6	0	0	113.2
220	P	36	Very low	28.1	Very low	104 Å²	104	146.1 Å²	146.1	68%	0.675	78%	0.781	S	S	*	*			cis	-129.2	152.4	-36.1	21.1	-0.5	0	0	0	111.7
221	Y	24	Very low	28.6	Very low	244 Å²	244	139.4 Å²	139.4	96%	0.957	76%	0.761	S	S	*	*			trans	-152.3	111.6	156.2	-113.4	-84.8	0	0	0	112
222	G	26.2	Very low	29.2	Very low	72 Å²	72	137.7 Å²	137.7	74%	0.742	75%	0.752	S	S	*	*			trans	78	89	133.2	0	0	0	0	0	118.5	S224	G222-S224 PolarHBondContact O-N 3.39Å
223	D	32	Very low	29.9	Very low	156 Å²	156	141.1 Å²	141.1	83%	0.834	75%	0.749	S	S	*	*			trans	-46.2	125.3	152.9	-73.2	-55.4	0	0	0	113.2
224	S	35.4	Very low	30.3	Very low	110 Å²	110	138 Å²	138	77%	0.769	74%	0.737	S	S	*	*			trans	-166.5	24.3	146.3	77.5	0	0	0	0	116.5	G222	G222-S224 PolarHBondContact O-N 3.39Å
225	Q	31.4	Very low	30.8	Very low	171 Å²	171	133 Å²	133	80%	0.799	72%	0.719	S	S	*	*	S	Bend	trans	-133.5	-9.6	175	-104	177.2	-0	0	0	116.1
226	C	31.1	Very low	31.4	Very low	101 Å²	101	130.2 Å²	130.2	68%	0.682	71%	0.706	S	S	*	*	S	Bend	trans	-92.8	-15.7	-179.9	-87.5	0	0	0	0	115.5
227	E	30.6	Very low	32.1	Very low	163 Å²	163	128.1 Å²	128.1	76%	0.762	69%	0.693	S	S	*	*	H	α-helix	trans	-78.6	-26	177.7	-75	-168.1	135.2	0	0	114.1	V229 L230 S231	E227-V229 VanDerWaalsContact C-N 3.26Å; E227-V229 PolarHBondContact O-N 2.9Å; E227-L230 PolarHBondContact O-N 3.32Å; E227-S231 PolarHBondContact O-N 2.76Å
228	K	33.3	Very low	32.8	Very low	175 Å²	175	131.8 Å²	131.8	76%	0.761	69%	0.691	S	S	*	*	H	α-helix	trans	-72	-19.4	176.1	-72.8	179.4	179.8	174	0	113.2
229	V	35.6	Very low	33.3	Very low	83 Å²	83	131.4 Å²	131.4	50%	0.503	68%	0.68	S	S	.	*	H	α-helix	trans	-83.8	-22.8	176.5	-177.9	0	0	0	0	111.7	E227	E227-V229 VanDerWaalsContact C-N 3.26Å; E227-V229 PolarHBondContact O-N 2.9Å
230	L	33	Very low	33.8	Very low	107 Å²	107	129.9 Å²	129.9	56%	0.56	67%	0.67	S	S	*	*	H	α-helix	trans	-85.2	-30.9	176.2	-79	162.1	0	0	0	113	E227 K233 Q234	E227-L230 PolarHBondContact O-N 3.32Å; L230-K233 PolarHBondContact O-N 3.06Å; L230-Q234 WeakPolarHBondContact O-CB 3.38Å; L230-Q234 WeakPolarHBondContact O-CG 3.26Å; L230-Q234 PolarHBondContact O-N 3.19Å
231	S	37.1	Very low	34	Very low	72 Å²	72	132.8 Å²	132.8	50%	0.503	67%	0.672	S	S	.	*	H	α-helix	trans	-69.4	-35.4	174.3	86.4	0	0	0	0	112.5	E227 Q234 A235	E227-S231 PolarHBondContact O-N 2.76Å; S231-Q234 PolarHBondContact O-N 3.26Å; S231-A235 WeakPolarHBondContact O-CB 3.26Å; S231-A235 PolarHBondContact O-N 3.27Å
232	H	35.7	Very low	34.7	Very low	151 Å²	151	130 Å²	130	70%	0.699	67%	0.665	S	S	*	*	H	α-helix	trans	-72.7	-32.4	178.1	-144.2	-166.9	0	0	0	111.9	H236	H232-H236 VanDerWaalsContact O-CB 3.29Å; H232-H236 WeakPolarHBondContact O-CB 3.45Å; H232-H236 PolarHBondContact O-N 3.24Å
233	K	38.5	Very low	35.4	Very low	138 Å²	138	134 Å²	134	60%	0.6	67%	0.665	S	S	*	*	H	α-helix	trans	-72.7	-37	171.3	-75.2	-180	179.8	177.3	0	112.4	L230 H236 V237	L230-K233 PolarHBondContact O-N 3.06Å; K233-H236 PolarHBondContact O-N 3.35Å; K233-V237 WeakPolarHBondContact O-CB 3.47Å; K233-V237 VanDerWaalsContact O-CG2 3.24Å; K233-V237 WeakPolarHBondContact O-CG2 3.46Å; K233-V237 PolarHBondContact O-N 3.22Å
234	Q	35	Very low	36	Very low	133 Å²	133	130.5 Å²	130.5	62%	0.621	66%	0.657	S	S	*	*	H	α-helix	trans	-69.5	-37.1	174.7	-77.5	173.5	-14.9	0	0	112.5	L230 S231 V237 Q238	L230-Q234 WeakPolarHBondContact O-CB 3.38Å; L230-Q234 WeakPolarHBondContact O-CG 3.26Å; L230-Q234 PolarHBondContact O-N 3.19Å; S231-Q234 PolarHBondContact O-N 3.26Å; Q234-V237 PolarHBondContact O-N 3.03Å; Q234-Q238 PolarHBondContact O-N 2.74Å
235	A	34.8	Very low	36.9	Very low	52 Å²	52	133 Å²	133	43%	0.43	65%	0.65	S	S	.	*	H	α-helix	trans	-65.6	-37.1	170.6	0	0	0	0	0	112.1	S231 V237 Q238 Y239	S231-A235 WeakPolarHBondContact O-CB 3.26Å; S231-A235 PolarHBondContact O-N 3.27Å; A235-V237 VanDerWaalsContact C-N 3.31Å; A235-V237 PolarHBondContact O-N 3.44Å; A235-Q238 PolarHBondContact O-N 3.2Å; A235-Y239 VanDerWaalsContact O-CB 3.24Å; A235-Y239 WeakPolarHBondContact O-CB 3.42Å; A235-Y239 PolarHBondContact O-N 3.42Å
236	H	37.2	Very low	38.2	Very low	118 Å²	118	133 Å²	133	55%	0.546	65%	0.65	S	S	.	*	H	α-helix	trans	-72.5	-22.6	175.8	-151.5	-66.7	0	0	0	113.2	H232 K233 K240	H232-H236 VanDerWaalsContact O-CB 3.29Å; H232-H236 WeakPolarHBondContact O-CB 3.45Å; H232-H236 PolarHBondContact O-N 3.24Å; K233-H236 PolarHBondContact O-N 3.35Å; H236-K240 WeakPolarHBondContact O-CB 3.29Å; H236-K240 WeakPolarHBondContact O-CG 3.3Å; H236-K240 PolarHBondContact O-N 3.26Å
237	V	38.6	Very low	40.1	Very low	85 Å²	85	133.4 Å²	133.4	52%	0.515	64%	0.64	S	S	.	*	H	α-helix	trans	-84.7	-35.5	172.6	170.9	0	0	0	0	111.5	K233 Q234 A235 K241	K233-V237 WeakPolarHBondContact O-CB 3.47Å; K233-V237 VanDerWaalsContact O-CG2 3.24Å; K233-V237 WeakPolarHBondContact O-CG2 3.46Å; K233-V237 PolarHBondContact O-N 3.22Å; Q234-V237 PolarHBondContact O-N 3.03Å; A235-V237 VanDerWaalsContact C-N 3.31Å; A235-V237 PolarHBondContact O-N 3.44Å; V237-K241 PolarHBondContact O-N 2.83Å; V237-K241 VanDerWaalsContact O-N 3.1Å
238	Q	36	Very low	42.1	Very low	152 Å²	152	130.1 Å²	130.1	71%	0.71	63%	0.633	S	S	*	*	H	α-helix	trans	-74	-38.1	173.1	-75.6	-160.5	-14.9	0	0	112.9	Q234 A235 K240 K241 F242	Q234-Q238 PolarHBondContact O-N 2.74Å; A235-Q238 PolarHBondContact O-N 3.2Å; Q238-K240 VanDerWaalsContact C-N 3.31Å; Q238-K240 PolarHBondContact O-N 3.21Å; Q238-K241 PolarHBondContact O-N 3.31Å; Q238-K241 VanDerWaalsContact O-N 3.07Å; Q238-F242 PolarHBondContact O-N 3.24Å
239	Y	34.3	Very low	44.2	Very low	190 Å²	190	123.3 Å²	123.3	75%	0.745	61%	0.605	S	S	*	*	H	α-helix	trans	-66.6	-32.4	172.7	-169.8	-100.1	0	0	0	112.2	A235 K241	A235-Y239 VanDerWaalsContact O-CB 3.24Å; A235-Y239 WeakPolarHBondContact O-CB 3.42Å; A235-Y239 PolarHBondContact O-N 3.42Å; Y239-K241 VanDerWaalsContact C-N 3.35Å
240	K	35	Very low	46.3	Very low	150 Å²	150	123.2 Å²	123.2	65%	0.652	60%	0.604	S	S	*	*	H	α-helix	trans	-72.5	-22.1	169.9	-88.3	-175.2	173.5	-179.2	0	113.9	H236 Q238	H236-K240 WeakPolarHBondContact O-CB 3.29Å; H236-K240 WeakPolarHBondContact O-CG 3.3Å; H236-K240 PolarHBondContact O-N 3.26Å; Q238-K240 VanDerWaalsContact C-N 3.31Å; Q238-K240 PolarHBondContact O-N 3.21Å
241	K	38.7	Very low	48.7	Very low	166 Å²	166	118.1 Å²	118.1	72%	0.722	58%	0.578	S	S	*	*	H	α-helix	trans	-81.5	-10.4	176	-86.5	-177.7	173.7	-177.4	0	114.2	V237 Q238 Y239	V237-K241 PolarHBondContact O-N 2.83Å; V237-K241 VanDerWaalsContact O-N 3.1Å; Q238-K241 PolarHBondContact O-N 3.31Å; Q238-K241 VanDerWaalsContact O-N 3.07Å; Y239-K241 VanDerWaalsContact C-N 3.35Å
242	F	38.3	Very low	50.6	Low	186 Å²	186	119.7 Å²	119.7	82%	0.816	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	4.1	173.5	-123.5	-91.8	0	0	0	115.1	Q238	Q238-F242 PolarHBondContact O-N 3.24Å
243	Q	42.5	Very low	52.5	Low	155 Å²	155	119.2 Å²	119.2	72%	0.724	59%	0.588	S	S	*	*			trans	-137	34.5	168.4	-73.4	-160.7	22.6	0	0	114.4	R245	Q243-R245 PolarHBondContact O-N 2.87Å; Q243-R245 VanDerWaalsContact O-N 3.16Å
244	A	44.3	Very low	54.5	Low	83 Å²	83	115 Å²	115	69%	0.686	58%	0.576	S	S	*	*			trans	-81.1	55.8	146.7	0	0	0	0	0	108.6	E246	A244-E246 PolarHBondContact O-N 3.02Å; A244-E246 VanDerWaalsContact O-N 3.09Å
245	R	54.9	Low	56.6	Low	161 Å²	161	111.2 Å²	111.2	61%	0.608	57%	0.572	S	S	*	*			trans	-64.6	113.4	159.1	-79.8	-176.6	179.4	179.8	1.3	104.2	Q243 K247 I259	Q243-R245 PolarHBondContact O-N 2.87Å; Q243-R245 VanDerWaalsContact O-N 3.16Å; R245-K247 WeakPolarHBondContact O-CG 3.41Å; R245-K247 PolarHBondContact O-N 3.29Å; R245-K247 VanDerWaalsContact O-N 3.1Å; R245-I259 HydrophobicContact CB-CD1 4.26Å; R245-I259 HydrophobicContact CB-CG1 4.19Å; R245-I259 HydrophobicContact CB-CG2 4.42Å
246	E	58.3	Low	58.7	Low	172 Å²	172	112.2 Å²	112.2	80%	0.804	57%	0.567	S	S	*	*			trans	-45.1	125.6	166.9	-67.8	-176.2	163.3	0	0	106.9	A244 P248	A244-E246 PolarHBondContact O-N 3.02Å; A244-E246 VanDerWaalsContact O-N 3.09Å; E246-P248 WeakPolarHBondContact O-CD 3.43Å
247	K	70.5	Confident	60.9	Low	109 Å²	109	108.5 Å²	108.5	47%	0.474	56%	0.557	S	S	.	*			trans	-103.6	71.5	176.4	-69.5	-179.3	-178.5	177.5	0	106.7	R245 N249 A257 F258 I259	R245-K247 WeakPolarHBondContact O-CG 3.41Å; R245-K247 PolarHBondContact O-N 3.29Å; R245-K247 VanDerWaalsContact O-N 3.1Å; K247-N249 PolarHBondContact O-N 3.1Å; K247-N249 VanDerWaalsContact O-N 3.08Å; K247-A257 HydrophobicContact CB-CB 3.57Å; K247-A257 HydrophobicContact CD-CB 4.09Å; K247-A257 WeakPolarHBondContact CD-O 3.45Å; K247-A257 HydrophobicContact CG-CB 4.48Å; K247-F258 CarbonylContact C-O 3.56Å; K247-F258 VanDerWaalsContact CA-O 3.28Å; K247-F258 WeakPolarHBondContact CA-O 3.29Å; K247-I259 HydrophobicContact CD-CG1 4.45Å; K247-I259 HydrophobicContact CG-CG1 3.8Å
248	P	72.7	Confident	63	Low	94 Å²	94	106.2 Å²	106.2	61%	0.61	54%	0.54	S	S	*	.			trans	-67	-15.1	-170	28.4	-36.3	0	0	0	112.2	E246 V250	E246-P248 WeakPolarHBondContact O-CD 3.43Å; P248-V250 PolarHBondContact O-N 3.3Å
249	N	76.3	Confident	65.2	Low	33 Å²	33	101.6 Å²	101.6	18%	0.176	52%	0.52	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	92.3	-175.1	-57.2	-77.8	0	0	0	110.1	K247 A257 F258 I259 K261 L264	K247-N249 PolarHBondContact O-N 3.1Å; K247-N249 VanDerWaalsContact O-N 3.08Å; N249-A257 CarbonylContact O-C 3.57Å; N249-A257 WeakPolarHBondContact O-CA 3.27Å; N249-F258 HydrophobicContact CB-CB 4.32Å; N249-F258 WeakPolarHBondContact CB-O 3.33Å; N249-F258 PolarHBondContact N-O 3.23Å; N249-F258 PolarHBondContact O-N 3.44Å; N249-I259 PolarHBondContact ND2-O 2.83Å; N249-K261 PolarHBondContact ND2-N 2.79Å; N249-L264 HydrophobicContact CB-CB 3.95Å; N249-L264 HydrophobicContact CB-CD2 3.76Å; N249-L264 HydrophobicContact CB-CG 4.46Å
250	V	79.9	Confident	67.5	Low	80 Å²	80	98.5 Å²	98.5	49%	0.485	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	134	178.8	-174.2	0	0	0	0	110.8	P248 S252 A257	P248-V250 PolarHBondContact O-N 3.3Å; V250-S252 PolarHBondContact O-N 3.34Å; V250-A257 HydrophobicContact CG2-CB 3.99Å
251	C	83.3	Confident	69.6	Low	1 Å²	1	98.2 Å²	98.2	1%	0.007	51%	0.509	C	S	.	.			trans	-74	117.3	173.3	-179.2	0	0	0	0	110.5	M253 C254 G255 K256 F258 L264	C251-M253 PolarHBondContact O-N 3.22Å; C251-C254 PolarHBondContact O-N 3.43Å; C251-C254 VanDerWaalsContact SG-SG 3.64Å; C251-G255 VanDerWaalsContact O-CA 3.28Å; C251-G255 WeakPolarHBondContact O-CA 3.48Å; C251-G255 PolarHBondContact O-N 2.68Å; C251-K256 WeakPolarHBondContact CB-O 3.42Å; C251-K256 PolarHBondContact N-O 2.91Å; C251-F258 HydrophobicContact CB-CE2 4.3Å; C251-L264 VanDerWaalsContact CA-CD1 3.44Å; C251-L264 HydrophobicContact CB-CD1 3.51Å
252	S	78.9	Confident	71.5	Confident	105 Å²	105	93.5 Å²	93.5	73%	0.734	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-33.4	176.5	50.7	0	0	0	0	113.5	V250	V250-S252 PolarHBondContact O-N 3.34Å
253	M	74.4	Confident	73.4	Confident	140 Å²	140	88.5 Å²	88.5	69%	0.69	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-26.5	-175.7	-60.4	-59.8	-71.7	0	0	114.4	C251	C251-M253 PolarHBondContact O-N 3.22Å
254	C	81.1	Confident	75.2	Confident	49 Å²	49	82 Å²	82	33%	0.331	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.7	4.9	-173.8	74.7	0	0	0	0	115.4	C251 K256 H267 H271	C251-C254 PolarHBondContact O-N 3.43Å; C251-C254 VanDerWaalsContact SG-SG 3.64Å; C254-K256 PolarHBondContact O-N 3.04Å; C254-K256 VanDerWaalsContact O-N 3.16Å; C254-H267 PolarHBondContact SG-NE2 3.01Å; C254-H271 PolarHBondContact SG-NE2 3.41Å; C254-H271 VanDerWaalsContact SG-NE2 3.4Å
255	G	77.9	Confident	76.9	Confident	54 Å²	54	81.3 Å²	81.3	56%	0.557	43%	0.43	S	S	*	.			trans	68.1	8.6	176.9	0	0	0	0	0	115.3	C251 A257	C251-G255 VanDerWaalsContact O-CA 3.28Å; C251-G255 WeakPolarHBondContact O-CA 3.48Å; C251-G255 PolarHBondContact O-N 2.68Å; G255-A257 PolarHBondContact O-N 3.4Å
256	K	80.6	Confident	77.9	Confident	73 Å²	73	76 Å²	76	32%	0.317	41%	0.414	S	S	.	.			trans	-73.8	127.9	177.6	-72.3	178.4	-173.3	171.7	0	110.5	R182 C251 C254 F258	R182-K256 VanDerWaalsContact NH1-CE 3.34Å; C251-K256 WeakPolarHBondContact CB-O 3.42Å; C251-K256 PolarHBondContact N-O 2.91Å; C254-K256 PolarHBondContact O-N 3.04Å; C254-K256 VanDerWaalsContact O-N 3.16Å; K256-F258 HydrophobicContact CB-CE2 3.71Å; K256-F258 HydrophobicContact CB-CZ 3.83Å; K256-F258 WeakPolarHBondContact O-CD2 3.48Å; K256-F258 VanDerWaalsContact O-CE2 3.23Å; K256-F258 WeakPolarHBondContact O-CE2 3.42Å
257	A	81.6	Confident	78.9	Confident	41 Å²	41	68.5 Å²	68.5	34%	0.339	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	139.4	179	0	0	0	0	0	111.7	K247 N249 V250 G255	K247-A257 HydrophobicContact CB-CB 3.57Å; K247-A257 HydrophobicContact CD-CB 4.09Å; K247-A257 WeakPolarHBondContact CD-O 3.45Å; K247-A257 HydrophobicContact CG-CB 4.48Å; N249-A257 CarbonylContact O-C 3.57Å; N249-A257 WeakPolarHBondContact O-CA 3.27Å; V250-A257 HydrophobicContact CG2-CB 3.99Å; G255-A257 PolarHBondContact O-N 3.4Å
258	F	83.8	Confident	79.2	Confident	37 Å²	37	66.5 Å²	66.5	16%	0.162	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148.8	-177.6	-60.5	-86.8	0	0	0	111.1	K247 N249 C251 K256 Q263 L264 H267	K247-F258 CarbonylContact C-O 3.56Å; K247-F258 VanDerWaalsContact CA-O 3.28Å; K247-F258 WeakPolarHBondContact CA-O 3.29Å; N249-F258 HydrophobicContact CB-CB 4.32Å; N249-F258 WeakPolarHBondContact CB-O 3.33Å; N249-F258 PolarHBondContact N-O 3.23Å; N249-F258 PolarHBondContact O-N 3.44Å; C251-F258 HydrophobicContact CB-CE2 4.3Å; K256-F258 HydrophobicContact CB-CE2 3.71Å; K256-F258 HydrophobicContact CB-CZ 3.83Å; K256-F258 WeakPolarHBondContact O-CD2 3.48Å; K256-F258 VanDerWaalsContact O-CE2 3.23Å; K256-F258 WeakPolarHBondContact O-CE2 3.42Å; F258-Q263 HydrophobicContact CB-CB 4.05Å; F258-Q263 HydrophobicContact CD1-CB 3.84Å; F258-Q263 HydrophobicContact CG-CB 4.21Å; F258-L264 HydrophobicContact CB-CB 4.19Å; F258-L264 HydrophobicContact CD2-CB 3.85Å; F258-L264 HydrophobicContact CD2-CD1 3.72Å; F258-L264 HydrophobicContact CD2-CG 4.39Å; F258-L264 HydrophobicContact CE2-CD1 3.95Å; F258-L264 HydrophobicContact CG-CB 4.21Å; F258-H267 HydrophobicContact CE1-CB 3.87Å; F258-H267 HydrophobicContact CE2-CB 3.74Å; F258-H267 AromaticContact CE2-CD2 3.42Å; F258-H267 VanDerWaalsContact CE2-CD2 3.42Å; F258-H267 WeakPolarHBondContact CE2-CD2 3.44Å; F258-H267 AromaticContact CE2-CG 3.55Å; F258-H267 HydrophobicContact CZ-CB 3.35Å; F258-H267 AromaticContact CZ-CD2 3.43Å; F258-H267 VanDerWaalsContact CZ-CD2 3.43Å; F258-H267 WeakPolarHBondContact CZ-CD2 3.35Å; F258-H267 AromaticContact CZ-CG 3.11Å; F258-H267 AromaticContact CZ-ND1 3.65Å
259	I	82.1	Confident	79.7	Confident	55 Å²	55	64 Å²	64	28%	0.282	35%	0.349	S	S	.	.	S	Bend	trans	-73.7	-42	-179.3	-60.5	166	0	0	0	109.5	R245 K247 N249	R245-I259 HydrophobicContact CB-CD1 4.26Å; R245-I259 HydrophobicContact CB-CG1 4.19Å; R245-I259 HydrophobicContact CB-CG2 4.42Å; K247-I259 HydrophobicContact CD-CG1 4.45Å; K247-I259 HydrophobicContact CG-CG1 3.8Å; N249-I259 PolarHBondContact ND2-O 2.83Å
260	K	82.1	Confident	79.5	Confident	125 Å²	125	68.1 Å²	68.1	54%	0.543	37%	0.37	S	S	.	.	S	Bend	trans	-112.5	142.9	-179	-60.8	-175.8	178.5	-174.1	0	111.2	S262 Q263 L264	K260-S262 PolarHBondContact O-N 3.02Å; K260-Q263 HydrophobicContact CB-CG 4.19Å; K260-Q263 WeakPolarHBondContact O-CB 3.48Å; K260-Q263 PolarHBondContact O-N 3.37Å; K260-L264 PolarHBondContact O-N 3.1Å
261	K	79.6	Confident	79.3	Confident	144 Å²	144	68.2 Å²	68.2	63%	0.626	37%	0.365	S	S	*	.	H	α-helix	trans	-57.3	-36.7	174	-169.3	176.4	-178.9	178	0	112.1	N249 Q263 L264 I265	N249-K261 PolarHBondContact ND2-N 2.79Å; K261-Q263 VanDerWaalsContact C-N 3.31Å; K261-Q263 PolarHBondContact O-N 3.46Å; K261-L264 WeakPolarHBondContact O-CB 3.36Å; K261-L264 PolarHBondContact O-N 3.2Å; K261-L264 VanDerWaalsContact O-N 3.16Å; K261-I265 HydrophobicContact CG-CD1 4.13Å; K261-I265 WeakPolarHBondContact O-CG1 3.38Å; K261-I265 PolarHBondContact O-N 3.34Å
262	S	78.7	Confident	79	Confident	66 Å²	66	72.1 Å²	72.1	46%	0.462	39%	0.389	S	S	.	.	H	α-helix	trans	-60.6	-36	175.2	56	0	0	0	0	113.7	K260 I265 I266	K260-S262 PolarHBondContact O-N 3.02Å; S262-I265 PolarHBondContact O-N 3.09Å; S262-I266 WeakPolarHBondContact O-CD1 3.43Å; S262-I266 VanDerWaalsContact O-CG1 3.27Å; S262-I266 WeakPolarHBondContact O-CG1 3.47Å; S262-I266 PolarHBondContact O-N 3.34Å
263	Q	78.4	Confident	78.8	Confident	82 Å²	82	69.5 Å²	69.5	38%	0.383	38%	0.378	S	S	.	.	H	α-helix	trans	-71.3	-36.8	175.8	-66.2	173.3	-23.7	0	0	111.6	F258 K260 K261 H267	F258-Q263 HydrophobicContact CB-CB 4.05Å; F258-Q263 HydrophobicContact CD1-CB 3.84Å; F258-Q263 HydrophobicContact CG-CB 4.21Å; K260-Q263 HydrophobicContact CB-CG 4.19Å; K260-Q263 WeakPolarHBondContact O-CB 3.48Å; K260-Q263 PolarHBondContact O-N 3.37Å; K261-Q263 VanDerWaalsContact C-N 3.31Å; K261-Q263 PolarHBondContact O-N 3.46Å; Q263-H267 VanDerWaalsContact O-CB 3.23Å; Q263-H267 WeakPolarHBondContact O-CB 3.47Å; Q263-H267 PolarHBondContact O-N 3.39Å
264	L	80.7	Confident	78.9	Confident	17 Å²	17	67.9 Å²	67.9	9%	0.089	37%	0.369	C	S	.	.	H	α-helix	trans	-63.8	-44.5	172.7	172.3	61.1	0	0	0	111.2	N249 C251 F258 K260 K261 H267 Q268	N249-L264 HydrophobicContact CB-CB 3.95Å; N249-L264 HydrophobicContact CB-CD2 3.76Å; N249-L264 HydrophobicContact CB-CG 4.46Å; C251-L264 VanDerWaalsContact CA-CD1 3.44Å; C251-L264 HydrophobicContact CB-CD1 3.51Å; F258-L264 HydrophobicContact CB-CB 4.19Å; F258-L264 HydrophobicContact CD2-CB 3.85Å; F258-L264 HydrophobicContact CD2-CD1 3.72Å; F258-L264 HydrophobicContact CD2-CG 4.39Å; F258-L264 HydrophobicContact CE2-CD1 3.95Å; F258-L264 HydrophobicContact CG-CB 4.21Å; K260-L264 PolarHBondContact O-N 3.1Å; K261-L264 WeakPolarHBondContact O-CB 3.36Å; K261-L264 PolarHBondContact O-N 3.2Å; K261-L264 VanDerWaalsContact O-N 3.16Å; L264-H267 CarbonylContact O-C 3.23Å; L264-H267 WeakPolarHBondContact O-CB 3.41Å; L264-H267 PolarHBondContact O-N 3.08Å; L264-H267 VanDerWaalsContact O-N 3.16Å; L264-Q268 HydrophobicContact CD1-CG 4.13Å; L264-Q268 HydrophobicContact CG-CG 4.48Å; L264-Q268 WeakPolarHBondContact O-CG 3.46Å; L264-Q268 PolarHBondContact O-N 3.31Å
265	I	78.6	Confident	79	Confident	69 Å²	69	70.4 Å²	70.4	35%	0.354	37%	0.374	S	S	.	.	H	α-helix	trans	-61.7	-47	177.9	-68.2	165.6	0	0	0	110.8	K261 S262 H267 Q268 R269	K261-I265 HydrophobicContact CG-CD1 4.13Å; K261-I265 WeakPolarHBondContact O-CG1 3.38Å; K261-I265 PolarHBondContact O-N 3.34Å; S262-I265 PolarHBondContact O-N 3.09Å; I265-H267 VanDerWaalsContact C-N 3.26Å; I265-H267 PolarHBondContact O-N 3.1Å; I265-Q268 PolarHBondContact O-N 3.3Å; I265-R269 PolarHBondContact O-N 3.31Å
266	I	77	Confident	79.2	Confident	51 Å²	51	71.2 Å²	71.2	26%	0.262	37%	0.37	S	S	.	.	H	α-helix	trans	-60	-40.1	174.8	-69.3	165.5	0	0	0	110.9	S262 R269 E288	S262-I266 WeakPolarHBondContact O-CD1 3.43Å; S262-I266 VanDerWaalsContact O-CG1 3.27Å; S262-I266 WeakPolarHBondContact O-CG1 3.47Å; S262-I266 PolarHBondContact O-N 3.34Å; I266-R269 WeakPolarHBondContact O-CB 3.39Å; I266-R269 PolarHBondContact O-N 3.4Å; I266-E288 HydrophobicContact CD1-CG 4.35Å; I266-E288 HydrophobicContact CG1-CG 4.37Å; I266-E288 HydrophobicContact CG2-CG 3.51Å; I266-E288 WeakPolarHBondContact CG2-OE1 3.32Å
267	H	78.3	Confident	79.3	Confident	14 Å²	14	71.5 Å²	71.5	7%	0.065	37%	0.369	C	S	.	.	H	α-helix	trans	-67	-37.9	177.6	177	64.9	0	0	0	113.1	C254 F258 Q263 L264 I265 R269 I270 H271	C254-H267 PolarHBondContact SG-NE2 3.01Å; F258-H267 HydrophobicContact CE1-CB 3.87Å; F258-H267 HydrophobicContact CE2-CB 3.74Å; F258-H267 AromaticContact CE2-CD2 3.42Å; F258-H267 VanDerWaalsContact CE2-CD2 3.42Å; F258-H267 WeakPolarHBondContact CE2-CD2 3.44Å; F258-H267 AromaticContact CE2-CG 3.55Å; F258-H267 HydrophobicContact CZ-CB 3.35Å; F258-H267 AromaticContact CZ-CD2 3.43Å; F258-H267 VanDerWaalsContact CZ-CD2 3.43Å; F258-H267 WeakPolarHBondContact CZ-CD2 3.35Å; F258-H267 AromaticContact CZ-CG 3.11Å; F258-H267 AromaticContact CZ-ND1 3.65Å; Q263-H267 VanDerWaalsContact O-CB 3.23Å; Q263-H267 WeakPolarHBondContact O-CB 3.47Å; Q263-H267 PolarHBondContact O-N 3.39Å; L264-H267 CarbonylContact O-C 3.23Å; L264-H267 WeakPolarHBondContact O-CB 3.41Å; L264-H267 PolarHBondContact O-N 3.08Å; L264-H267 VanDerWaalsContact O-N 3.16Å; I265-H267 VanDerWaalsContact C-N 3.26Å; I265-H267 PolarHBondContact O-N 3.1Å; H267-R269 PolarHBondContact O-N 3.26Å; H267-I270 VanDerWaalsContact O-CB 3.27Å; H267-I270 WeakPolarHBondContact O-CB 3.33Å; H267-I270 WeakPolarHBondContact O-CG1 3.43Å; H267-I270 PolarHBondContact O-N 3.01Å; H267-H271 AromaticContact CE1-NE2 3.78Å; H267-H271 AromaticContact NE2-CD2 3.96Å; H267-H271 AromaticContact NE2-NE2 3.21Å; H267-H271 PolarHBondContact NE2-NE2 3.37Å
268	Q	77.1	Confident	79.2	Confident	66 Å²	66	73.4 Å²	73.4	31%	0.308	38%	0.377	S	S	.	.	H	α-helix	trans	-60.7	-31.6	176.9	-77.7	169.3	-31.4	0	0	112.1	L264 I265 I270 H271 T272	L264-Q268 HydrophobicContact CD1-CG 4.13Å; L264-Q268 HydrophobicContact CG-CG 4.48Å; L264-Q268 WeakPolarHBondContact O-CG 3.46Å; L264-Q268 PolarHBondContact O-N 3.31Å; I265-Q268 PolarHBondContact O-N 3.3Å; Q268-I270 PolarHBondContact O-N 3.22Å; Q268-I270 VanDerWaalsContact O-N 3.11Å; Q268-H271 WeakPolarHBondContact O-CA 3.43Å; Q268-H271 WeakPolarHBondContact O-CB 3.48Å; Q268-H271 PolarHBondContact O-N 3.21Å; Q268-T272 PolarHBondContact O-N 3.38Å
269	R	82.4	Confident	79.3	Confident	43 Å²	43	71.7 Å²	71.7	16%	0.162	37%	0.369	C	S	.	.	H	α-helix	trans	-60.4	-19.6	173.6	-61.8	178	-176.5	161.6	2.2	114.2	I265 I266 H267 H271 T272 G273 E274 S287	I265-R269 PolarHBondContact O-N 3.31Å; I266-R269 WeakPolarHBondContact O-CB 3.39Å; I266-R269 PolarHBondContact O-N 3.4Å; H267-R269 PolarHBondContact O-N 3.26Å; R269-H271 VanDerWaalsContact C-N 3.32Å; R269-T272 WeakPolarHBondContact CA-OG1 2.9Å; R269-G273 VanDerWaalsContact O-CA 3.32Å; R269-G273 WeakPolarHBondContact O-CA 3.37Å; R269-G273 PolarHBondContact O-N 3.38Å; R269-E274 HydrophobicContact CB-CB 4.28Å; R269-E274 HydrophobicContact CG-CB 4.05Å; R269-E274 PolarHBondContact O-N 3.05Å; R269-S287 PolarHBondContact NH1-O 3.11Å
270	I	73.6	Confident	79.2	Confident	118 Å²	118	72.2 Å²	72.2	61%	0.605	39%	0.389	S	S	*	.	H	α-helix	trans	-69.9	-34.5	172.7	-58.3	177.3	0	0	0	110.6	H267 Q268	H267-I270 VanDerWaalsContact O-CB 3.27Å; H267-I270 WeakPolarHBondContact O-CB 3.33Å; H267-I270 WeakPolarHBondContact O-CG1 3.43Å; H267-I270 PolarHBondContact O-N 3.01Å; Q268-I270 PolarHBondContact O-N 3.22Å; Q268-I270 VanDerWaalsContact O-N 3.11Å
271	H	76.1	Confident	79	Confident	83 Å²	83	71.7 Å²	71.7	38%	0.384	39%	0.392	S	S	.	.	H	α-helix	trans	-84.1	-39.2	179	-58.6	-66.4	0	0	0	111.7	C254 H267 Q268 R269	C254-H271 PolarHBondContact SG-NE2 3.41Å; C254-H271 VanDerWaalsContact SG-NE2 3.4Å; H267-H271 AromaticContact CE1-NE2 3.78Å; H267-H271 AromaticContact NE2-CD2 3.96Å; H267-H271 AromaticContact NE2-NE2 3.21Å; H267-H271 PolarHBondContact NE2-NE2 3.37Å; Q268-H271 WeakPolarHBondContact O-CA 3.43Å; Q268-H271 WeakPolarHBondContact O-CB 3.48Å; Q268-H271 PolarHBondContact O-N 3.21Å; R269-H271 VanDerWaalsContact C-N 3.32Å
272	T	75.4	Confident	79.2	Confident	83 Å²	83	67.1 Å²	67.1	51%	0.509	38%	0.377	S	S	.	.	H	α-helix	trans	-82.8	-14.3	179.4	64.4	0	0	0	0	113.4	Q268 R269 E274	Q268-T272 PolarHBondContact O-N 3.38Å; R269-T272 WeakPolarHBondContact CA-OG1 2.9Å; T272-E274 PolarHBondContact O-N 2.99Å; T272-E274 WeakPolarHBondContact OG1-CG 3.46Å; T272-E274 PolarHBondContact OG1-OE1 3.36Å
273	G	74.6	Confident	79.2	Confident	50 Å²	50	74.2 Å²	74.2	52%	0.515	39%	0.394	S	S	.	.			trans	73.3	4.4	-177.9	0	0	0	0	0	114.4	R269 K275	R269-G273 VanDerWaalsContact O-CA 3.32Å; R269-G273 WeakPolarHBondContact O-CA 3.37Å; R269-G273 PolarHBondContact O-N 3.38Å; G273-K275 PolarHBondContact O-N 3.41Å
274	E	76.6	Confident	79.3	Confident	105 Å²	105	73.7 Å²	73.7	49%	0.491	39%	0.39	S	S	.	.			trans	-61.2	126.5	-178.1	-77.3	169.9	-144.9	0	0	112.3	R269 T272	R269-E274 HydrophobicContact CB-CB 4.28Å; R269-E274 HydrophobicContact CG-CB 4.05Å; R269-E274 PolarHBondContact O-N 3.05Å; T272-E274 PolarHBondContact O-N 2.99Å; T272-E274 WeakPolarHBondContact OG1-CG 3.46Å; T272-E274 PolarHBondContact OG1-OE1 3.36Å
275	K	82.9	Confident	79.4	Confident	103 Å²	103	74.4 Å²	74.4	45%	0.448	40%	0.399	S	S	.	.			trans	-127.2	76.1	177.8	-71.4	170.3	167.6	-166.5	0	110.2	G273 Y277 A285 F286	G273-K275 PolarHBondContact O-N 3.41Å; K275-Y277 PolarHBondContact O-N 3.16Å; K275-Y277 VanDerWaalsContact O-N 3.17Å; K275-A285 HydrophobicContact CB-CB 3.51Å; K275-A285 HydrophobicContact CD-CB 4.1Å; K275-A285 WeakPolarHBondContact CD-O 3.49Å; K275-A285 HydrophobicContact CG-CB 4.41Å; K275-F286 CarbonylContact C-O 3.27Å; K275-F286 VanDerWaalsContact C-O 3.23Å; K275-F286 WeakPolarHBondContact CA-O 3.37Å
276	P	82.3	Confident	79.6	Confident	70 Å²	70	73.1 Å²	73.1	46%	0.455	39%	0.391	S	S	.	.			trans	-68	-16.4	-170.2	-21.1	34.3	0	0	0	114.7
277	Y	83.3	Confident	79.8	Confident	79 Å²	79	72.2 Å²	72.2	31%	0.31	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	102.3	-173.3	-56.7	-74.5	0	0	0	110.3	K275 A285 F286 K289	K275-Y277 PolarHBondContact O-N 3.16Å; K275-Y277 VanDerWaalsContact O-N 3.17Å; Y277-A285 CarbonylContact O-C 3.52Å; Y277-A285 WeakPolarHBondContact O-CA 3.36Å; Y277-F286 PolarHBondContact N-O 2.83Å; Y277-F286 VanDerWaalsContact N-O 3.1Å; Y277-F286 PolarHBondContact O-N 2.95Å; Y277-K289 HydrophobicContact CD1-CB 3.91Å; Y277-K289 HydrophobicContact CD1-CG 4.22Å; Y277-K289 HydrophobicContact CD2-CB 4.35Å; Y277-K289 VanDerWaalsContact CD2-N 3.27Å; Y277-K289 HydrophobicContact CE1-CB 3.73Å; Y277-K289 HydrophobicContact CE1-CD 4.38Å; Y277-K289 HydrophobicContact CE1-CG 4.21Å; Y277-K289 HydrophobicContact CE2-CB 4.17Å; Y277-K289 VanDerWaalsContact CE2-N 3.35Å; Y277-K289 HydrophobicContact CG-CB 4.21Å
278	V	78.8	Confident	80	Confident	82 Å²	82	74.3 Å²	74.3	50%	0.497	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.9	-178.3	-174.7	0	0	0	0	110.2	R283 A285	V278-R283 HydrophobicContact CG1-CB 4.48Å; V278-A285 HydrophobicContact CG2-CB 3.99Å
279	C	86	Confident	80.1	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	41%	0.411	C	S	.	.			trans	-73.5	125.5	172.4	178.7	0	0	0	0	110.2	D281 R283 K284 F286 L292 H299	C279-D281 VanDerWaalsContact C-N 3.27Å; C279-D281 PolarHBondContact O-N 3.13Å; C279-R283 WeakPolarHBondContact O-CA 3.34Å; C279-R283 PolarHBondContact O-N 2.78Å; C279-K284 WeakPolarHBondContact CB-O 3.31Å; C279-K284 PolarHBondContact N-O 2.87Å; C279-F286 HydrophobicContact CB-CE2 4.39Å; C279-L292 HydrophobicContact CB-CD1 3.57Å; C279-H299 PolarHBondContact SG-NE2 3.15Å; C279-H299 VanDerWaalsContact SG-NE2 3.44Å
280	G	80.4	Confident	79.9	Confident	67 Å²	67	78 Å²	78	69%	0.691	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-35.7	177.4	0	0	0	0	0	113.4
281	D	79	Confident	80.3	Confident	114 Å²	114	76.4 Å²	76.4	61%	0.61	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-37.9	-170.8	-47.1	-48.9	0	0	0	113.5	C279 H299	C279-D281 VanDerWaalsContact C-N 3.27Å; C279-D281 PolarHBondContact O-N 3.13Å; D281-H299 IonicContact OD2-CD2 3.58Å; D281-H299 PolarHBondContact OD2-CD2 3.15Å; D281-H299 IonicContact OD2-CG 3.34Å
282	C	82.6	Confident	80.5	Confident	47 Å²	47	73.3 Å²	73.3	32%	0.318	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	4.1	-174.7	73.7	0	0	0	0	114	K284 H295 H299	C282-K284 PolarHBondContact O-N 2.83Å; C282-H295 PolarHBondContact SG-NE2 3.36Å; C282-H299 PolarHBondContact SG-NE2 3.08Å; C282-H299 VanDerWaalsContact SG-NE2 3.45Å
283	R	79.3	Confident	80.7	Confident	215 Å²	215	73 Å²	73	81%	0.811	39%	0.392	S	S	*	.			trans	56.3	14	-178.7	-58.2	-174.3	179.8	-174.2	-0.1	115.3	V278 C279 A285	V278-R283 HydrophobicContact CG1-CB 4.48Å; C279-R283 WeakPolarHBondContact O-CA 3.34Å; C279-R283 PolarHBondContact O-N 2.78Å; R283-A285 PolarHBondContact O-N 3.12Å
284	K	80.8	Confident	80.9	Confident	71 Å²	71	72 Å²	72	31%	0.309	38%	0.376	S	S	.	.			trans	-69.3	131.7	173.6	-73.4	-174.6	177.9	-175.7	0	110.6	D165 C279 C282 F286	D165-K284 IonicContact OD1-NZ 3.36Å; D165-K284 PolarHBondContact OD1-NZ 3.12Å; D165-K284 VanDerWaalsContact OD2-CE 3.3Å; D165-K284 WeakPolarHBondContact OD2-CE 3.49Å; D165-K284 IonicContact OD2-NZ 3.05Å; D165-K284 PolarHBondContact OD2-NZ 2.87Å; C279-K284 WeakPolarHBondContact CB-O 3.31Å; C279-K284 PolarHBondContact N-O 2.87Å; C282-K284 PolarHBondContact O-N 2.83Å; K284-F286 HydrophobicContact CB-CE2 3.88Å; K284-F286 HydrophobicContact CB-CZ 3.96Å; K284-F286 WeakPolarHBondContact O-CD2 3.36Å; K284-F286 VanDerWaalsContact O-CE2 3.3Å; K284-F286 WeakPolarHBondContact O-CE2 3.22Å
285	A	82.9	Confident	81	Confident	33 Å²	33	67.9 Å²	67.9	27%	0.273	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	139.9	-176.6	0	0	0	0	0	111.6	K275 Y277 V278 R283	K275-A285 HydrophobicContact CB-CB 3.51Å; K275-A285 HydrophobicContact CD-CB 4.1Å; K275-A285 WeakPolarHBondContact CD-O 3.49Å; K275-A285 HydrophobicContact CG-CB 4.41Å; Y277-A285 CarbonylContact O-C 3.52Å; Y277-A285 WeakPolarHBondContact O-CA 3.36Å; V278-A285 HydrophobicContact CG2-CB 3.99Å; R283-A285 PolarHBondContact O-N 3.12Å
286	F	82.8	Confident	80.7	Confident	42 Å²	42	66.3 Å²	66.3	18%	0.184	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.8	-176.6	-59.1	-86	0	0	0	111	K275 Y277 C279 K284 E288 H291 L292 H295	K275-F286 CarbonylContact C-O 3.27Å; K275-F286 VanDerWaalsContact C-O 3.23Å; K275-F286 WeakPolarHBondContact CA-O 3.37Å; Y277-F286 PolarHBondContact N-O 2.83Å; Y277-F286 VanDerWaalsContact N-O 3.1Å; Y277-F286 PolarHBondContact O-N 2.95Å; C279-F286 HydrophobicContact CB-CE2 4.39Å; K284-F286 HydrophobicContact CB-CE2 3.88Å; K284-F286 HydrophobicContact CB-CZ 3.96Å; K284-F286 WeakPolarHBondContact O-CD2 3.36Å; K284-F286 VanDerWaalsContact O-CE2 3.3Å; K284-F286 WeakPolarHBondContact O-CE2 3.22Å; F286-E288 VanDerWaalsContact C-N 3.3Å; F286-H291 HydrophobicContact CB-CB 4.25Å; F286-H291 HydrophobicContact CD1-CB 3.96Å; F286-H291 HydrophobicContact CG-CB 4.34Å; F286-L292 HydrophobicContact CB-CB 4.34Å; F286-L292 HydrophobicContact CD2-CB 3.88Å; F286-L292 HydrophobicContact CD2-CD1 3.77Å; F286-L292 HydrophobicContact CD2-CG 4.42Å; F286-L292 HydrophobicContact CE2-CD1 3.93Å; F286-L292 HydrophobicContact CG-CB 4.29Å; F286-H295 HydrophobicContact CE1-CB 4Å; F286-H295 HydrophobicContact CE2-CB 3.82Å; F286-H295 AromaticContact CE2-CD2 3.54Å; F286-H295 AromaticContact CE2-CG 3.61Å; F286-H295 HydrophobicContact CZ-CB 3.44Å; F286-H295 VanDerWaalsContact CZ-CB 3.44Å; F286-H295 AromaticContact CZ-CD2 3.55Å; F286-H295 AromaticContact CZ-CG 3.18Å; F286-H295 AromaticContact CZ-ND1 3.54Å
287	S	81.2	Confident	80.7	Confident	32 Å²	32	65.6 Å²	65.6	22%	0.224	34%	0.339	C	S	.	.	S	Bend	trans	-74.6	-20.2	176.4	53.6	0	0	0	0	113.2	R269	R269-S287 PolarHBondContact NH1-O 3.11Å
288	E	81.9	Confident	80.3	Confident	58 Å²	58	67 Å²	67	27%	0.271	35%	0.351	S	S	.	.	S	Bend	trans	-133.3	141.5	-178.8	-64.8	-179.7	-127.4	0	0	111.8	I266 F286 S290 H291 L292	I266-E288 HydrophobicContact CD1-CG 4.35Å; I266-E288 HydrophobicContact CG1-CG 4.37Å; I266-E288 HydrophobicContact CG2-CG 3.51Å; I266-E288 WeakPolarHBondContact CG2-OE1 3.32Å; F286-E288 VanDerWaalsContact C-N 3.3Å; E288-S290 VanDerWaalsContact C-N 3.3Å; E288-S290 PolarHBondContact O-N 3.41Å; E288-S290 PolarHBondContact OE2-OG 3.21Å; E288-H291 PolarHBondContact O-N 2.89Å; E288-H291 IonicContact OE1-CE1 2.68Å; E288-H291 PolarHBondContact OE1-CE1 3.39Å; E288-H291 IonicContact OE1-ND1 2.73Å; E288-L292 PolarHBondContact O-N 3.4Å
289	K	80.3	Confident	80.2	Confident	130 Å²	130	67 Å²	67	57%	0.565	35%	0.345	S	S	*	.	H	α-helix	trans	-62.4	-36.3	177.5	-171.1	176.5	178.5	178	0	112.3	Y277 H291 L292 I293	Y277-K289 HydrophobicContact CD1-CB 3.91Å; Y277-K289 HydrophobicContact CD1-CG 4.22Å; Y277-K289 HydrophobicContact CD2-CB 4.35Å; Y277-K289 VanDerWaalsContact CD2-N 3.27Å; Y277-K289 HydrophobicContact CE1-CB 3.73Å; Y277-K289 HydrophobicContact CE1-CD 4.38Å; Y277-K289 HydrophobicContact CE1-CG 4.21Å; Y277-K289 HydrophobicContact CE2-CB 4.17Å; Y277-K289 VanDerWaalsContact CE2-N 3.35Å; Y277-K289 HydrophobicContact CG-CB 4.21Å; K289-H291 VanDerWaalsContact C-N 3.31Å; K289-H291 PolarHBondContact O-N 3.43Å; K289-L292 PolarHBondContact O-N 3.48Å; K289-I293 HydrophobicContact CG-CD1 4.18Å; K289-I293 WeakPolarHBondContact O-CG1 3.4Å; K289-I293 PolarHBondContact O-N 2.94Å
290	S	78.2	Confident	79.7	Confident	57 Å²	57	70.9 Å²	70.9	40%	0.399	37%	0.369	S	S	.	.	H	α-helix	trans	-58.4	-41.5	175.8	53.7	0	0	0	0	112.1	E288 I293 V294	E288-S290 VanDerWaalsContact C-N 3.3Å; E288-S290 PolarHBondContact O-N 3.41Å; E288-S290 PolarHBondContact OE2-OG 3.21Å; S290-I293 PolarHBondContact O-N 2.98Å; S290-V294 VanDerWaalsContact O-CG2 3.27Å; S290-V294 WeakPolarHBondContact O-CG2 3.5Å; S290-V294 PolarHBondContact O-N 3.39Å; S290-V294 VanDerWaalsContact O-N 3.09Å
291	H	80.6	Confident	79.4	Confident	84 Å²	84	70 Å²	70	39%	0.389	36%	0.36	S	S	.	.	H	α-helix	trans	-69.1	-37.7	176.9	-65.1	151.5	0	0	0	112.2	F286 E288 K289 V294 H295	F286-H291 HydrophobicContact CB-CB 4.25Å; F286-H291 HydrophobicContact CD1-CB 3.96Å; F286-H291 HydrophobicContact CG-CB 4.34Å; E288-H291 PolarHBondContact O-N 2.89Å; E288-H291 IonicContact OE1-CE1 2.68Å; E288-H291 PolarHBondContact OE1-CE1 3.39Å; E288-H291 IonicContact OE1-ND1 2.73Å; K289-H291 VanDerWaalsContact C-N 3.31Å; K289-H291 PolarHBondContact O-N 3.43Å; H291-V294 PolarHBondContact O-N 3.02Å; H291-H295 VanDerWaalsContact O-CB 3.28Å; H291-H295 WeakPolarHBondContact O-CB 3.34Å; H291-H295 PolarHBondContact O-N 2.96Å
292	L	80.8	Confident	79.2	Confident	18 Å²	18	69.7 Å²	69.7	9%	0.094	36%	0.355	C	S	.	.	H	α-helix	trans	-62	-47.6	172.6	173.2	61.2	0	0	0	111.6	C279 F286 E288 K289 V294 H295 Q296	C279-L292 HydrophobicContact CB-CD1 3.57Å; F286-L292 HydrophobicContact CB-CB 4.34Å; F286-L292 HydrophobicContact CD2-CB 3.88Å; F286-L292 HydrophobicContact CD2-CD1 3.77Å; F286-L292 HydrophobicContact CD2-CG 4.42Å; F286-L292 HydrophobicContact CE2-CD1 3.93Å; F286-L292 HydrophobicContact CG-CB 4.29Å; E288-L292 PolarHBondContact O-N 3.4Å; K289-L292 PolarHBondContact O-N 3.48Å; L292-V294 VanDerWaalsContact C-N 3.31Å; L292-V294 PolarHBondContact O-N 3.08Å; L292-H295 CarbonylContact O-C 3.51Å; L292-H295 WeakPolarHBondContact O-CA 3.39Å; L292-H295 WeakPolarHBondContact O-CB 3.46Å; L292-H295 PolarHBondContact O-N 3.27Å; L292-Q296 HydrophobicContact CD1-CG 4.09Å; L292-Q296 HydrophobicContact CG-CG 4.45Å; L292-Q296 WeakPolarHBondContact O-CG 3.45Å; L292-Q296 PolarHBondContact O-N 3.25Å
293	I	80	Confident	79	Confident	75 Å²	75	73 Å²	73	39%	0.385	36%	0.364	S	S	.	.	H	α-helix	trans	-59.1	-44.2	178.6	-68.3	166	0	0	0	110.9	K289 S290 H295 Q296 R297	K289-I293 HydrophobicContact CG-CD1 4.18Å; K289-I293 WeakPolarHBondContact O-CG1 3.4Å; K289-I293 PolarHBondContact O-N 2.94Å; S290-I293 PolarHBondContact O-N 2.98Å; I293-H295 VanDerWaalsContact C-N 3.29Å; I293-H295 PolarHBondContact O-N 3.09Å; I293-Q296 PolarHBondContact O-N 3.38Å; I293-R297 PolarHBondContact O-N 2.86Å
294	V	77.4	Confident	79	Confident	30 Å²	30	66.3 Å²	66.3	18%	0.182	35%	0.349	C	S	.	.	H	α-helix	trans	-68.8	-30	177.7	175	0	0	0	0	112	S290 H291 L292 R316	S290-V294 VanDerWaalsContact O-CG2 3.27Å; S290-V294 WeakPolarHBondContact O-CG2 3.5Å; S290-V294 PolarHBondContact O-N 3.39Å; S290-V294 VanDerWaalsContact O-N 3.09Å; H291-V294 PolarHBondContact O-N 3.02Å; L292-V294 VanDerWaalsContact C-N 3.31Å; L292-V294 PolarHBondContact O-N 3.08Å; V294-R316 HydrophobicContact CG1-CG 3.76Å
295	H	79.1	Confident	78.9	Confident	19 Å²	19	66.6 Å²	66.6	9%	0.088	35%	0.348	C	S	.	.	H	α-helix	trans	-71.5	-39.7	173.8	175	75.2	0	0	0	112.2	C282 F286 H291 L292 I293 R297 I298 H299	C282-H295 PolarHBondContact SG-NE2 3.36Å; F286-H295 HydrophobicContact CE1-CB 4Å; F286-H295 HydrophobicContact CE2-CB 3.82Å; F286-H295 AromaticContact CE2-CD2 3.54Å; F286-H295 AromaticContact CE2-CG 3.61Å; F286-H295 HydrophobicContact CZ-CB 3.44Å; F286-H295 VanDerWaalsContact CZ-CB 3.44Å; F286-H295 AromaticContact CZ-CD2 3.55Å; F286-H295 AromaticContact CZ-CG 3.18Å; F286-H295 AromaticContact CZ-ND1 3.54Å; H291-H295 VanDerWaalsContact O-CB 3.28Å; H291-H295 WeakPolarHBondContact O-CB 3.34Å; H291-H295 PolarHBondContact O-N 2.96Å; L292-H295 CarbonylContact O-C 3.51Å; L292-H295 WeakPolarHBondContact O-CA 3.39Å; L292-H295 WeakPolarHBondContact O-CB 3.46Å; L292-H295 PolarHBondContact O-N 3.27Å; I293-H295 VanDerWaalsContact C-N 3.29Å; I293-H295 PolarHBondContact O-N 3.09Å; H295-R297 PolarHBondContact O-N 2.89Å; H295-I298 WeakPolarHBondContact O-CB 3.48Å; H295-I298 WeakPolarHBondContact O-CG1 3.39Å; H295-I298 PolarHBondContact O-N 3.12Å; H295-H299 AromaticContact CD2-NE2 3.98Å; H295-H299 AromaticContact NE2-NE2 3.35Å; H295-H299 PolarHBondContact NE2-NE2 3.18Å
296	Q	77.6	Confident	78.5	Confident	70 Å²	70	71.3 Å²	71.3	33%	0.327	37%	0.365	S	S	.	.	H	α-helix	trans	-58.9	-29.5	177.2	-75.3	172.2	-44.5	0	0	112.6	L292 I293 I298 H299 T300	L292-Q296 HydrophobicContact CD1-CG 4.09Å; L292-Q296 HydrophobicContact CG-CG 4.45Å; L292-Q296 WeakPolarHBondContact O-CG 3.45Å; L292-Q296 PolarHBondContact O-N 3.25Å; I293-Q296 PolarHBondContact O-N 3.38Å; Q296-I298 PolarHBondContact O-N 2.89Å; Q296-I298 VanDerWaalsContact O-N 3.08Å; Q296-H299 PolarHBondContact O-N 3.46Å; Q296-T300 PolarHBondContact O-N 3.41Å; Q296-T300 PolarHBondContact O-OG1 3.21Å
297	R	82.3	Confident	78.4	Confident	54 Å²	54	69.6 Å²	69.6	20%	0.204	36%	0.358	C	S	.	.	H	α-helix	trans	-59.7	-17.5	172	-62.5	-179.3	-175.1	162.4	3	114.5	I293 H295 T300 G301 E302 S315	I293-R297 PolarHBondContact O-N 2.86Å; H295-R297 PolarHBondContact O-N 2.89Å; R297-T300 WeakPolarHBondContact CA-OG1 3.01Å; R297-G301 WeakPolarHBondContact O-CA 3.3Å; R297-G301 PolarHBondContact O-N 3.24Å; R297-E302 HydrophobicContact CB-CB 4.35Å; R297-E302 HydrophobicContact CG-CB 4.11Å; R297-E302 PolarHBondContact O-N 2.89Å; R297-S315 PolarHBondContact NH1-O 3.21Å
298	I	74.3	Confident	77.8	Confident	108 Å²	108	75.1 Å²	75.1	55%	0.554	39%	0.391	S	S	*	.	H	α-helix	trans	-72.2	-36.1	173.2	-59.3	175	0	0	0	110.3	H295 Q296	H295-I298 WeakPolarHBondContact O-CB 3.48Å; H295-I298 WeakPolarHBondContact O-CG1 3.39Å; H295-I298 PolarHBondContact O-N 3.12Å; Q296-I298 PolarHBondContact O-N 2.89Å; Q296-I298 VanDerWaalsContact O-N 3.08Å
299	H	76.4	Confident	76.7	Confident	82 Å²	82	78.4 Å²	78.4	38%	0.38	40%	0.404	S	S	.	.	H	α-helix	trans	-82.7	-39.5	179.7	-54.9	-50.9	0	0	0	111.6	C279 D281 C282 H295 Q296	C279-H299 PolarHBondContact SG-NE2 3.15Å; C279-H299 VanDerWaalsContact SG-NE2 3.44Å; D281-H299 IonicContact OD2-CD2 3.58Å; D281-H299 PolarHBondContact OD2-CD2 3.15Å; D281-H299 IonicContact OD2-CG 3.34Å; C282-H299 PolarHBondContact SG-NE2 3.08Å; C282-H299 VanDerWaalsContact SG-NE2 3.45Å; H295-H299 AromaticContact CD2-NE2 3.98Å; H295-H299 AromaticContact NE2-NE2 3.35Å; H295-H299 PolarHBondContact NE2-NE2 3.18Å; Q296-H299 PolarHBondContact O-N 3.46Å
300	T	75.8	Confident	75.6	Confident	82 Å²	82	75 Å²	75	50%	0.503	39%	0.388	S	S	.	.	H	α-helix	trans	-82.8	-12.6	179.5	64.2	0	0	0	0	113.7	Q296 R297 E302	Q296-T300 PolarHBondContact O-N 3.41Å; Q296-T300 PolarHBondContact O-OG1 3.21Å; R297-T300 WeakPolarHBondContact CA-OG1 3.01Å; T300-E302 PolarHBondContact O-N 3.49Å; T300-E302 WeakPolarHBondContact OG1-CG 3.33Å
301	G	73.4	Confident	74.7	Confident	48 Å²	48	74.8 Å²	74.8	50%	0.495	40%	0.395	S	S	.	.			trans	71.7	2.9	-177.8	0	0	0	0	0	114.8	R297 K303	R297-G301 WeakPolarHBondContact O-CA 3.3Å; R297-G301 PolarHBondContact O-N 3.24Å; G301-K303 PolarHBondContact O-N 3.48Å
302	E	74.6	Confident	74.1	Confident	109 Å²	109	74.6 Å²	74.6	51%	0.509	39%	0.39	S	S	.	.			trans	-59.8	124.5	-177.2	-76.2	175.1	-158.7	0	0	112.7	R297 T300	R297-E302 HydrophobicContact CB-CB 4.35Å; R297-E302 HydrophobicContact CG-CB 4.11Å; R297-E302 PolarHBondContact O-N 2.89Å; T300-E302 PolarHBondContact O-N 3.49Å; T300-E302 WeakPolarHBondContact OG1-CG 3.33Å
303	K	79.5	Confident	73.9	Confident	115 Å²	115	74.8 Å²	74.8	50%	0.5	40%	0.395	S	S	.	.			trans	-126.2	77.9	177.1	-67.8	168.9	-176.1	172.9	0	110.9	G301 Y305 A313 F314	G301-K303 PolarHBondContact O-N 3.48Å; K303-Y305 PolarHBondContact O-N 2.85Å; K303-A313 HydrophobicContact CB-CB 3.41Å; K303-A313 VanDerWaalsContact CB-CB 3.41Å; K303-A313 HydrophobicContact CD-CB 3.74Å; K303-A313 HydrophobicContact CG-CB 4.2Å; K303-F314 CarbonylContact C-O 3.56Å; K303-F314 VanDerWaalsContact C-O 3.29Å; K303-F314 WeakPolarHBondContact CA-O 3.4Å
304	P	79.3	Confident	73.8	Confident	76 Å²	76	72.4 Å²	72.4	49%	0.494	38%	0.382	S	S	.	.			trans	-66.5	-7.6	-170.2	-22.5	34.7	0	0	0	116
305	Y	78.6	Confident	73.9	Confident	76 Å²	76	73.1 Å²	73.1	30%	0.298	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	96.7	-176.4	-58.9	-85.1	0	0	0	109.7	K303 A313 F314 R316 K317 F320	K303-Y305 PolarHBondContact O-N 2.85Å; Y305-A313 CarbonylContact O-C 3.29Å; Y305-A313 WeakPolarHBondContact O-CA 3.39Å; Y305-F314 WeakPolarHBondContact CD2-O 3.2Å; Y305-F314 PolarHBondContact N-O 3.49Å; Y305-F314 VanDerWaalsContact N-O 3.15Å; Y305-F314 PolarHBondContact O-N 3.05Å; Y305-R316 VanDerWaalsContact CD2-C 3.41Å; Y305-K317 HydrophobicContact CD1-CB 4.06Å; Y305-K317 HydrophobicContact CD1-CG 4.11Å; Y305-K317 HydrophobicContact CE1-CB 3.53Å; Y305-K317 HydrophobicContact CE1-CD 4.01Å; Y305-K317 HydrophobicContact CE1-CG 3.69Å; Y305-K317 HydrophobicContact CE2-CB 4.16Å; Y305-F320 HydrophobicContact CD1-CD1 4.29Å; Y305-F320 HydrophobicContact CG-CB 4.45Å
306	E	74.3	Confident	73.8	Confident	133 Å²	133	77.9 Å²	77.9	62%	0.621	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	135.3	-176.2	-56.6	-163.9	156.8	0	0	112.2	A313 F320	E306-A313 HydrophobicContact CG-CB 3.77Å; E306-F320 WeakPolarHBondContact O-CE2 3.34Å
307	C	80.7	Confident	73.8	Confident	5 Å²	5	80.9 Å²	80.9	3%	0.034	42%	0.417	C	S	.	.			trans	-86.9	109.8	174.1	178.9	0	0	0	0	110.4	K309 Y310 G311 R312 F320 H327	C307-K309 PolarHBondContact O-N 3.18Å; C307-Y310 PolarHBondContact O-N 3.25Å; C307-G311 WeakPolarHBondContact O-CA 3.23Å; C307-G311 PolarHBondContact O-N 3.37Å; C307-R312 HydrophobicContact CB-CB 4.47Å; C307-R312 WeakPolarHBondContact CB-O 3.49Å; C307-R312 PolarHBondContact N-O 3.33Å; C307-F320 HydrophobicContact CB-CE2 4.17Å; C307-H327 VanDerWaalsContact SG-CD2 3.55Å; C307-H327 PolarHBondContact SG-NE2 2.99Å
308	T	68.6	Low	73.4	Confident	149 Å²	149	82.2 Å²	82.2	91%	0.914	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-31.5	179.6	54.2	0	0	0	0	114.1
309	K	58.6	Low	73.5	Confident	126 Å²	126	79.9 Å²	79.9	55%	0.548	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-24.1	-177	-163.9	172.8	179.2	173.9	0	114.9	C307 H327	C307-K309 PolarHBondContact O-N 3.18Å; K309-H327 HydrophobicContact CD-CB 4.12Å
310	Y	56.8	Low	73.7	Confident	59 Å²	59	77.3 Å²	77.3	23%	0.231	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-142.7	6.8	-172	-66	-70.7	0	0	0	114.5	V31 S36 C307 R312 H327	V31-Y310 HydrophobicContact CG1-CG 4.42Å; V31-Y310 WeakPolarHBondContact CG1-O 3.39Å; S36-Y310 VanDerWaalsContact CB-CE1 3.4Å; S36-Y310 WeakPolarHBondContact CB-OH 3.07Å; C307-Y310 PolarHBondContact O-N 3.25Å; Y310-R312 PolarHBondContact O-N 3.24Å; Y310-H327 AromaticContact CD2-CE1 3.04Å; Y310-H327 WeakPolarHBondContact CD2-CE1 3.35Å; Y310-H327 AromaticContact CD2-ND1 3.62Å; Y310-H327 AromaticContact CD2-NE2 3.55Å; Y310-H327 AromaticContact CE2-CE1 3.11Å; Y310-H327 WeakPolarHBondContact CE2-CE1 3.39Å; Y310-H327 AromaticContact CE2-ND1 3.18Å; Y310-H327 WeakPolarHBondContact CE2-ND1 3.22Å; Y310-H327 AromaticContact CE2-NE2 3.95Å
311	G	61	Low	73.9	Confident	52 Å²	52	75.7 Å²	75.7	54%	0.536	40%	0.404	S	S	.	.			trans	66.2	7.9	179.4	0	0	0	0	0	115	C307 A313	C307-G311 WeakPolarHBondContact O-CA 3.23Å; C307-G311 PolarHBondContact O-N 3.37Å; G311-A313 PolarHBondContact O-N 2.93Å
312	R	67.6	Low	74.2	Confident	80 Å²	80	75.2 Å²	75.2	30%	0.302	39%	0.392	S	S	.	.			trans	-78.6	119.2	-178.3	-168.2	173.5	-178.4	174.8	6.2	110.6	S32 C307 Y310 F314	S32-R312 PolarHBondContact OG-NE 3.41Å; S32-R312 PolarHBondContact OG-NH1 2.86Å; S32-R312 PolarHBondContact OG-NH2 3.36Å; C307-R312 HydrophobicContact CB-CB 4.47Å; C307-R312 WeakPolarHBondContact CB-O 3.49Å; C307-R312 PolarHBondContact N-O 3.33Å; Y310-R312 PolarHBondContact O-N 3.24Å; R312-F314 HydrophobicContact CB-CE2 4.22Å; R312-F314 HydrophobicContact CG-CE2 3.84Å; R312-F314 HydrophobicContact CG-CZ 3.81Å
313	A	75.2	Confident	74.5	Confident	23 Å²	23	71 Å²	71	19%	0.19	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	142.9	-178.8	0	0	0	0	0	112.4	K303 Y305 E306 G311	K303-A313 HydrophobicContact CB-CB 3.41Å; K303-A313 VanDerWaalsContact CB-CB 3.41Å; K303-A313 HydrophobicContact CD-CB 3.74Å; K303-A313 HydrophobicContact CG-CB 4.2Å; Y305-A313 CarbonylContact O-C 3.29Å; Y305-A313 WeakPolarHBondContact O-CA 3.39Å; E306-A313 HydrophobicContact CG-CB 3.77Å; G311-A313 PolarHBondContact O-N 2.93Å
314	F	78.7	Confident	74.3	Confident	25 Å²	25	69.3 Å²	69.3	11%	0.11	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	142.8	-178.1	-59.8	-96	0	0	0	111	K303 Y305 R312 R316 P319 F320 H323	K303-F314 CarbonylContact C-O 3.56Å; K303-F314 VanDerWaalsContact C-O 3.29Å; K303-F314 WeakPolarHBondContact CA-O 3.4Å; Y305-F314 WeakPolarHBondContact CD2-O 3.2Å; Y305-F314 PolarHBondContact N-O 3.49Å; Y305-F314 VanDerWaalsContact N-O 3.15Å; Y305-F314 PolarHBondContact O-N 3.05Å; R312-F314 HydrophobicContact CB-CE2 4.22Å; R312-F314 HydrophobicContact CG-CE2 3.84Å; R312-F314 HydrophobicContact CG-CZ 3.81Å; F314-R316 VanDerWaalsContact C-N 3.27Å; F314-R316 PolarHBondContact O-N 3.36Å; F314-P319 HydrophobicContact CD1-CB 3.79Å; F314-P319 HydrophobicContact CE1-CB 4.25Å; F314-F320 HydrophobicContact CB-CB 4.03Å; F314-F320 HydrophobicContact CD2-CB 3.85Å; F314-F320 AromaticContact CD2-CD2 3.73Å; F314-F320 HydrophobicContact CD2-CD2 3.73Å; F314-F320 HydrophobicContact CD2-CG 4.3Å; F314-F320 HydrophobicContact CE2-CD2 4.12Å; F314-F320 HydrophobicContact CG-CB 3.99Å; F314-H323 HydrophobicContact CE1-CB 4.11Å; F314-H323 HydrophobicContact CE2-CB 3.84Å; F314-H323 AromaticContact CE2-CD2 3.48Å; F314-H323 VanDerWaalsContact CE2-CD2 3.48Å; F314-H323 WeakPolarHBondContact CE2-CD2 3.36Å; F314-H323 AromaticContact CE2-CG 3.65Å; F314-H323 HydrophobicContact CZ-CB 3.37Å; F314-H323 AromaticContact CZ-CD2 3.66Å; F314-H323 AromaticContact CZ-CG 3.32Å; F314-H323 AromaticContact CZ-ND1 3.85Å
315	S	79.2	Confident	74.5	Confident	45 Å²	45	67.9 Å²	67.9	32%	0.315	35%	0.351	S	S	.	.	S	Bend	trans	-77	-12.9	176.3	58.4	0	0	0	0	113.5	R297	R297-S315 PolarHBondContact NH1-O 3.21Å
316	R	78.2	Confident	74.5	Confident	118 Å²	118	69.2 Å²	69.2	45%	0.445	37%	0.367	S	S	.	.	S	Bend	trans	-137.8	148.7	-177	-61.5	-179.9	-172.5	-165.9	-7.5	111.2	V294 Y305 F314 P319	V294-R316 HydrophobicContact CG1-CG 3.76Å; Y305-R316 VanDerWaalsContact CD2-C 3.41Å; F314-R316 VanDerWaalsContact C-N 3.27Å; F314-R316 PolarHBondContact O-N 3.36Å; R316-P319 HydrophobicContact CB-CG 4.29Å; R316-P319 WeakPolarHBondContact O-CD 3.47Å
317	K	76.4	Confident	74.6	Confident	134 Å²	134	65 Å²	65	58%	0.583	35%	0.347	S	S	*	.	H	α-helix	trans	-66.9	-35.4	178.7	-165.6	171.8	179.6	174.4	0	113.7	Y305 F320 T321	Y305-K317 HydrophobicContact CD1-CB 4.06Å; Y305-K317 HydrophobicContact CD1-CG 4.11Å; Y305-K317 HydrophobicContact CE1-CB 3.53Å; Y305-K317 HydrophobicContact CE1-CD 4.01Å; Y305-K317 HydrophobicContact CE1-CG 3.69Å; Y305-K317 HydrophobicContact CE2-CB 4.16Å; K317-F320 WeakPolarHBondContact O-CB 3.39Å; K317-F320 PolarHBondContact O-N 3.38Å; K317-T321 PolarHBondContact O-N 3.06Å; K317-T321 PolarHBondContact O-OG1 3.4Å
318	S	75.2	Confident	74.5	Confident	82 Å²	82	68.8 Å²	68.8	57%	0.573	37%	0.37	S	S	*	.	H	α-helix	trans	-67.7	-47.2	-174.2	43.3	0	0	0	0	113.9	F320 T321 V322	S318-F320 VanDerWaalsContact C-N 3.3Å; S318-F320 PolarHBondContact O-N 2.88Å; S318-T321 PolarHBondContact O-N 2.98Å; S318-V322 WeakPolarHBondContact O-CG2 3.43Å; S318-V322 PolarHBondContact O-N 3.43Å; S318-V322 VanDerWaalsContact O-N 3.14Å
319	P	75.7	Confident	74.9	Confident	59 Å²	59	63.9 Å²	63.9	38%	0.383	35%	0.35	S	S	.	.	H	α-helix	trans	-63.3	-35.7	171.5	-22	34.9	0	0	0	112.8	F314 R316 V322 H323	F314-P319 HydrophobicContact CD1-CB 3.79Å; F314-P319 HydrophobicContact CE1-CB 4.25Å; R316-P319 HydrophobicContact CB-CG 4.29Å; R316-P319 WeakPolarHBondContact O-CD 3.47Å; P319-V322 PolarHBondContact O-N 2.91Å; P319-H323 VanDerWaalsContact O-CB 3.32Å; P319-H323 WeakPolarHBondContact O-CB 3.3Å; P319-H323 PolarHBondContact O-N 3.29Å
320	F	80.7	Confident	76	Confident	27 Å²	27	62.9 Å²	62.9	12%	0.118	35%	0.347	C	S	.	.	H	α-helix	trans	-60.5	-47.8	174.7	171.4	-107.9	0	0	0	111.9	Y305 E306 C307 F314 K317 S318 V322 H323 Q324	Y305-F320 HydrophobicContact CD1-CD1 4.29Å; Y305-F320 HydrophobicContact CG-CB 4.45Å; E306-F320 WeakPolarHBondContact O-CE2 3.34Å; C307-F320 HydrophobicContact CB-CE2 4.17Å; F314-F320 HydrophobicContact CB-CB 4.03Å; F314-F320 HydrophobicContact CD2-CB 3.85Å; F314-F320 AromaticContact CD2-CD2 3.73Å; F314-F320 HydrophobicContact CD2-CD2 3.73Å; F314-F320 HydrophobicContact CD2-CG 4.3Å; F314-F320 HydrophobicContact CE2-CD2 4.12Å; F314-F320 HydrophobicContact CG-CB 3.99Å; K317-F320 WeakPolarHBondContact O-CB 3.39Å; K317-F320 PolarHBondContact O-N 3.38Å; S318-F320 VanDerWaalsContact C-N 3.3Å; S318-F320 PolarHBondContact O-N 2.88Å; F320-V322 VanDerWaalsContact C-N 3.31Å; F320-V322 PolarHBondContact O-N 3.11Å; F320-H323 CarbonylContact O-C 3.53Å; F320-H323 WeakPolarHBondContact O-CA 3.23Å; F320-H323 WeakPolarHBondContact O-CB 3.37Å; F320-H323 PolarHBondContact O-N 3.37Å; F320-H323 VanDerWaalsContact O-N 3.08Å; F320-Q324 HydrophobicContact CD1-CG 4.47Å; F320-Q324 HydrophobicContact CD2-CG 4.41Å; F320-Q324 HydrophobicContact CE1-CG 4.09Å; F320-Q324 HydrophobicContact CE2-CG 4.03Å; F320-Q324 VanDerWaalsContact CZ-CD 3.43Å; F320-Q324 HydrophobicContact CZ-CG 3.87Å; F320-Q324 WeakPolarHBondContact O-CG 3.47Å; F320-Q324 PolarHBondContact O-N 3.3Å
321	T	80.4	Confident	77.4	Confident	48 Å²	48	66 Å²	66	29%	0.294	36%	0.361	S	S	.	.	H	α-helix	trans	-61.4	-40.3	178.4	-51.9	0	0	0	0	111.3	K317 S318 Q324	K317-T321 PolarHBondContact O-N 3.06Å; K317-T321 PolarHBondContact O-OG1 3.4Å; S318-T321 PolarHBondContact O-N 2.98Å; T321-Q324 PolarHBondContact O-N 3.44Å
322	V	79.7	Confident	78.5	Confident	39 Å²	39	66.9 Å²	66.9	24%	0.236	36%	0.358	C	S	.	.	H	α-helix	trans	-67.7	-37.8	175.2	173.9	0	0	0	0	111.3	S318 P319 F320 R325 Q344	S318-V322 WeakPolarHBondContact O-CG2 3.43Å; S318-V322 PolarHBondContact O-N 3.43Å; S318-V322 VanDerWaalsContact O-N 3.14Å; P319-V322 PolarHBondContact O-N 2.91Å; F320-V322 VanDerWaalsContact C-N 3.31Å; F320-V322 PolarHBondContact O-N 3.11Å; V322-R325 WeakPolarHBondContact O-CB 3.26Å; V322-R325 PolarHBondContact O-N 2.77Å; V322-Q344 HydrophobicContact CG1-CG 3.73Å
323	H	79.9	Confident	79.4	Confident	20 Å²	20	66.7 Å²	66.7	9%	0.093	36%	0.358	C	S	.	.	H	α-helix	trans	-66	-38.7	175.6	172.3	74	0	0	0	112.4	F314 P319 F320 R325 V326 H327	F314-H323 HydrophobicContact CE1-CB 4.11Å; F314-H323 HydrophobicContact CE2-CB 3.84Å; F314-H323 AromaticContact CE2-CD2 3.48Å; F314-H323 VanDerWaalsContact CE2-CD2 3.48Å; F314-H323 WeakPolarHBondContact CE2-CD2 3.36Å; F314-H323 AromaticContact CE2-CG 3.65Å; F314-H323 HydrophobicContact CZ-CB 3.37Å; F314-H323 AromaticContact CZ-CD2 3.66Å; F314-H323 AromaticContact CZ-CG 3.32Å; F314-H323 AromaticContact CZ-ND1 3.85Å; P319-H323 VanDerWaalsContact O-CB 3.32Å; P319-H323 WeakPolarHBondContact O-CB 3.3Å; P319-H323 PolarHBondContact O-N 3.29Å; F320-H323 CarbonylContact O-C 3.53Å; F320-H323 WeakPolarHBondContact O-CA 3.23Å; F320-H323 WeakPolarHBondContact O-CB 3.37Å; F320-H323 PolarHBondContact O-N 3.37Å; F320-H323 VanDerWaalsContact O-N 3.08Å; H323-R325 PolarHBondContact O-N 3.23Å; H323-V326 WeakPolarHBondContact O-CB 3.37Å; H323-V326 WeakPolarHBondContact O-CG2 3.43Å; H323-V326 PolarHBondContact O-N 2.8Å; H323-H327 AromaticContact CD2-NE2 3.62Å; H323-H327 AromaticContact CE1-CE1 3.74Å; H323-H327 AromaticContact CE1-NE2 3.66Å; H323-H327 AromaticContact NE2-CE1 3.62Å; H323-H327 AromaticContact NE2-NE2 3.09Å; H323-H327 PolarHBondContact NE2-NE2 3.14Å
324	Q	76.8	Confident	79.9	Confident	80 Å²	80	72.1 Å²	72.1	37%	0.374	38%	0.379	S	S	.	.	H	α-helix	trans	-57.7	-32	176.2	-74.5	179.9	-56.5	0	0	112.6	F320 T321 V326 H327 T328	F320-Q324 HydrophobicContact CD1-CG 4.47Å; F320-Q324 HydrophobicContact CD2-CG 4.41Å; F320-Q324 HydrophobicContact CE1-CG 4.09Å; F320-Q324 HydrophobicContact CE2-CG 4.03Å; F320-Q324 VanDerWaalsContact CZ-CD 3.43Å; F320-Q324 HydrophobicContact CZ-CG 3.87Å; F320-Q324 WeakPolarHBondContact O-CG 3.47Å; F320-Q324 PolarHBondContact O-N 3.3Å; T321-Q324 PolarHBondContact O-N 3.44Å; Q324-V326 PolarHBondContact O-N 2.79Å; Q324-H327 WeakPolarHBondContact O-CB 3.37Å; Q324-H327 PolarHBondContact O-N 3.4Å; Q324-T328 PolarHBondContact O-N 3.37Å
325	R	83.4	Confident	80.3	Confident	45 Å²	45	71.5 Å²	71.5	17%	0.17	38%	0.377	C	S	.	.	H	α-helix	trans	-64	-18.7	175.2	-61.8	-179.3	-175.9	147.7	8	114	V322 H323 H327 G329 E330 S343	V322-R325 WeakPolarHBondContact O-CB 3.26Å; V322-R325 PolarHBondContact O-N 2.77Å; H323-R325 PolarHBondContact O-N 3.23Å; R325-H327 PolarHBondContact O-N 2.94Å; R325-G329 WeakPolarHBondContact O-CA 3.38Å; R325-G329 PolarHBondContact O-N 3.3Å; R325-E330 HydrophobicContact CB-CB 4.34Å; R325-E330 HydrophobicContact CG-CB 4.09Å; R325-S343 PolarHBondContact NH1-O 3.22Å
326	V	77.8	Confident	80.6	Confident	104 Å²	104	78.8 Å²	78.8	63%	0.63	40%	0.404	S	S	*	.	H	α-helix	trans	-66.6	-30.4	171.4	-178.2	0	0	0	0	110.4	H323 Q324	H323-V326 WeakPolarHBondContact O-CB 3.37Å; H323-V326 WeakPolarHBondContact O-CG2 3.43Å; H323-V326 PolarHBondContact O-N 2.8Å; Q324-V326 PolarHBondContact O-N 2.79Å
327	H	75.8	Confident	80.8	Confident	45 Å²	45	78.8 Å²	78.8	21%	0.208	41%	0.409	C	S	.	.	H	α-helix	trans	-88	-39.4	-177.1	-51.3	-30.7	0	0	0	112.2	C307 K309 Y310 H323 Q324 R325	C307-H327 VanDerWaalsContact SG-CD2 3.55Å; C307-H327 PolarHBondContact SG-NE2 2.99Å; K309-H327 HydrophobicContact CD-CB 4.12Å; Y310-H327 AromaticContact CD2-CE1 3.04Å; Y310-H327 WeakPolarHBondContact CD2-CE1 3.35Å; Y310-H327 AromaticContact CD2-ND1 3.62Å; Y310-H327 AromaticContact CD2-NE2 3.55Å; Y310-H327 AromaticContact CE2-CE1 3.11Å; Y310-H327 WeakPolarHBondContact CE2-CE1 3.39Å; Y310-H327 AromaticContact CE2-ND1 3.18Å; Y310-H327 WeakPolarHBondContact CE2-ND1 3.22Å; Y310-H327 AromaticContact CE2-NE2 3.95Å; H323-H327 AromaticContact CD2-NE2 3.62Å; H323-H327 AromaticContact CE1-CE1 3.74Å; H323-H327 AromaticContact CE1-NE2 3.66Å; H323-H327 AromaticContact NE2-CE1 3.62Å; H323-H327 AromaticContact NE2-NE2 3.09Å; H323-H327 PolarHBondContact NE2-NE2 3.14Å; Q324-H327 WeakPolarHBondContact O-CB 3.37Å; Q324-H327 PolarHBondContact O-N 3.4Å; R325-H327 PolarHBondContact O-N 2.94Å
328	T	78.1	Confident	81.3	Confident	84 Å²	84	73.8 Å²	73.8	52%	0.515	39%	0.39	S	S	.	.	H	α-helix	trans	-85.1	-14	-180	62.8	0	0	0	0	112.6	Q324 E330	Q324-T328 PolarHBondContact O-N 3.37Å; T328-E330 PolarHBondContact O-N 3.25Å; T328-E330 VanDerWaalsContact OG1-CG 3.32Å; T328-E330 WeakPolarHBondContact OG1-CG 3.41Å; T328-E330 PolarHBondContact OG1-OE1 3.31Å
329	G	78.5	Confident	81.8	Confident	47 Å²	47	76.5 Å²	76.5	49%	0.485	41%	0.406	S	S	.	.			trans	70.9	4.3	-175.9	0	0	0	0	0	113.9	R325 K331	R325-G329 WeakPolarHBondContact O-CA 3.38Å; R325-G329 PolarHBondContact O-N 3.3Å; G329-K331 PolarHBondContact O-N 3.36Å
330	E	81.3	Confident	82.1	Confident	105 Å²	105	79.6 Å²	79.6	49%	0.491	41%	0.414	S	S	.	.			trans	-57.9	126.3	-177.7	-79.6	169.9	-140.4	0	0	112.1	R325 T328 P332	R325-E330 HydrophobicContact CB-CB 4.34Å; R325-E330 HydrophobicContact CG-CB 4.09Å; T328-E330 PolarHBondContact O-N 3.25Å; T328-E330 VanDerWaalsContact OG1-CG 3.32Å; T328-E330 WeakPolarHBondContact OG1-CG 3.41Å; T328-E330 PolarHBondContact OG1-OE1 3.31Å; E330-P332 WeakPolarHBondContact O-CD 3.38Å
331	K	85.8	Confident	82.3	Confident	124 Å²	124	79.6 Å²	79.6	54%	0.539	42%	0.419	S	S	.	.			trans	-125.3	74.7	175.3	-69.9	169.3	-179.9	-178.5	0	110	G329 Y333 A341 F342	G329-K331 PolarHBondContact O-N 3.36Å; K331-Y333 PolarHBondContact O-N 2.8Å; K331-A341 HydrophobicContact CB-CB 3.57Å; K331-A341 HydrophobicContact CD-CB 4.18Å; K331-A341 WeakPolarHBondContact CD-O 3.5Å; K331-A341 HydrophobicContact CG-CB 4.48Å; K331-F342 CarbonylContact C-O 3.55Å; K331-F342 VanDerWaalsContact C-O 3.28Å; K331-F342 WeakPolarHBondContact CA-O 3.42Å
332	P	84.8	Confident	82.6	Confident	71 Å²	71	79.3 Å²	79.3	46%	0.461	41%	0.413	S	S	.	.			trans	-67.5	-7.2	-170.8	-20.4	33.9	0	0	0	115	E330	E330-P332 WeakPolarHBondContact O-CD 3.38Å
333	Y	87.1	Confident	82.8	Confident	76 Å²	76	79.2 Å²	79.2	30%	0.298	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	92.8	-174.3	-58.1	-77	0	0	0	110.1	K331 A341 F342 Q344 K345	K331-Y333 PolarHBondContact O-N 2.8Å; Y333-A341 CarbonylContact O-C 3.55Å; Y333-A341 WeakPolarHBondContact O-CA 3.35Å; Y333-F342 WeakPolarHBondContact CB-O 3.48Å; Y333-F342 WeakPolarHBondContact CD2-O 3.48Å; Y333-F342 PolarHBondContact N-O 2.93Å; Y333-F342 VanDerWaalsContact N-O 3.14Å; Y333-F342 PolarHBondContact O-N 3.36Å; Y333-Q344 VanDerWaalsContact CD2-C 3.41Å; Y333-K345 HydrophobicContact CD1-CB 3.84Å; Y333-K345 HydrophobicContact CD1-CG 4.14Å; Y333-K345 HydrophobicContact CE1-CB 3.58Å; Y333-K345 HydrophobicContact CE1-CD 4.26Å; Y333-K345 HydrophobicContact CE1-CG 4.04Å; Y333-K345 HydrophobicContact CE2-CB 4.29Å; Y333-K345 HydrophobicContact CG-CB 4.28Å
334	E	84.1	Confident	82.9	Confident	137 Å²	137	81.4 Å²	81.4	64%	0.64	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	145.3	-179.3	-60.8	-176.8	169.7	0	0	111.8	A341 L348	E334-A341 HydrophobicContact CG-CB 3.9Å; E334-L348 WeakPolarHBondContact O-CD2 3.44Å
335	C	88.6	Confident	83	Confident	11 Å²	11	83.7 Å²	83.7	7%	0.074	43%	0.434	C	S	.	.			trans	-85.8	128.9	171.7	-174.3	0	0	0	0	109.7	E337 C338 K340 L348 H355	C335-E337 VanDerWaalsContact C-N 3.25Å; C335-E337 PolarHBondContact O-N 3.16Å; C335-C338 WeakPolarHBondContact CB-O 3.49Å; C335-K340 VanDerWaalsContact CB-O 3.24Å; C335-K340 WeakPolarHBondContact CB-O 3.37Å; C335-K340 PolarHBondContact N-O 3.31Å; C335-L348 HydrophobicContact CB-CD1 3.85Å; C335-H355 PolarHBondContact SG-NE2 3.21Å
336	F	84.3	Confident	82.8	Confident	199 Å²	199	84.2 Å²	84.2	87%	0.873	44%	0.444	S	S	*	.	S	Bend	trans	-71.9	-20.8	177	-62.8	-71.5	0	0	0	113.4
337	E	82.7	Confident	83	Confident	118 Å²	118	83.2 Å²	83.2	55%	0.551	43%	0.432	S	S	*	.	S	Bend	trans	-99.4	-14.3	-174	-65.9	174.8	-132.9	0	0	113.1	C335 H355	C335-E337 VanDerWaalsContact C-N 3.25Å; C335-E337 PolarHBondContact O-N 3.16Å; E337-H355 WeakPolarHBondContact OE2-CB 3.44Å; E337-H355 IonicContact OE2-CD2 3.89Å; E337-H355 IonicContact OE2-CG 2.79Å
338	C	87.4	Confident	83.3	Confident	28 Å²	28	81.9 Å²	81.9	19%	0.189	43%	0.427	C	S	.	.	S	Bend	trans	-152.9	164	174.2	80	0	0	0	0	112.3	C335 K340 H351	C335-C338 WeakPolarHBondContact CB-O 3.49Å; C338-K340 PolarHBondContact O-N 2.8Å; C338-H351 PolarHBondContact SG-NE2 3.33Å
339	P	84.6	Confident	83.4	Confident	140 Å²	140	81.2 Å²	81.2	91%	0.909	42%	0.419	S	S	*	.	S	Bend	trans	-66.7	8	-175.6	-19.4	32.2	0	0	0	115.7
340	K	82.6	Confident	83.4	Confident	124 Å²	124	81.1 Å²	81.1	54%	0.539	41%	0.407	S	S	.	.			trans	-85.7	128.3	-174.6	-67.5	-178	178.4	179.8	0	111.2	C335 C338 F342	C335-K340 VanDerWaalsContact CB-O 3.24Å; C335-K340 WeakPolarHBondContact CB-O 3.37Å; C335-K340 PolarHBondContact N-O 3.31Å; C338-K340 PolarHBondContact O-N 2.8Å; K340-F342 HydrophobicContact CB-CE2 3.93Å; K340-F342 HydrophobicContact CB-CZ 3.94Å
341	A	85.7	Confident	83.4	Confident	27 Å²	27	77.1 Å²	77.1	22%	0.223	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	150.7	172.7	0	0	0	0	0	111.5	K331 Y333 E334	K331-A341 HydrophobicContact CB-CB 3.57Å; K331-A341 HydrophobicContact CD-CB 4.18Å; K331-A341 WeakPolarHBondContact CD-O 3.5Å; K331-A341 HydrophobicContact CG-CB 4.48Å; Y333-A341 CarbonylContact O-C 3.55Å; Y333-A341 WeakPolarHBondContact O-CA 3.35Å; E334-A341 HydrophobicContact CG-CB 3.9Å
342	F	85.3	Confident	83.2	Confident	41 Å²	41	74 Å²	74	18%	0.18	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	147.2	-174.9	-58.6	-88.4	0	0	0	111.6	K331 Y333 K340 Q344 H347 L348 H351	K331-F342 CarbonylContact C-O 3.55Å; K331-F342 VanDerWaalsContact C-O 3.28Å; K331-F342 WeakPolarHBondContact CA-O 3.42Å; Y333-F342 WeakPolarHBondContact CB-O 3.48Å; Y333-F342 WeakPolarHBondContact CD2-O 3.48Å; Y333-F342 PolarHBondContact N-O 2.93Å; Y333-F342 VanDerWaalsContact N-O 3.14Å; Y333-F342 PolarHBondContact O-N 3.36Å; K340-F342 HydrophobicContact CB-CE2 3.93Å; K340-F342 HydrophobicContact CB-CZ 3.94Å; F342-Q344 VanDerWaalsContact C-N 3.29Å; F342-H347 HydrophobicContact CB-CB 4.14Å; F342-H347 HydrophobicContact CD1-CB 3.82Å; F342-H347 HydrophobicContact CG-CB 4.19Å; F342-L348 HydrophobicContact CB-CB 4.38Å; F342-L348 HydrophobicContact CD2-CB 3.94Å; F342-L348 HydrophobicContact CD2-CD1 3.83Å; F342-L348 HydrophobicContact CE2-CD1 4.07Å; F342-L348 HydrophobicContact CG-CB 4.36Å; F342-H351 HydrophobicContact CE1-CB 3.97Å; F342-H351 HydrophobicContact CE2-CB 3.67Å; F342-H351 AromaticContact CE2-CD2 3.32Å; F342-H351 WeakPolarHBondContact CE2-CD2 3.43Å; F342-H351 AromaticContact CE2-CG 3.49Å; F342-H351 VanDerWaalsContact CE2-CG 3.49Å; F342-H351 HydrophobicContact CZ-CB 3.34Å; F342-H351 AromaticContact CZ-CD2 3.45Å; F342-H351 VanDerWaalsContact CZ-CD2 3.45Å; F342-H351 WeakPolarHBondContact CZ-CD2 3.42Å; F342-H351 AromaticContact CZ-CG 3.16Å; F342-H351 AromaticContact CZ-ND1 3.72Å
343	S	84.3	Confident	83.2	Confident	38 Å²	38	72.4 Å²	72.4	27%	0.266	36%	0.361	S	S	.	.	S	Bend	trans	-77.6	-15.1	176.2	58.5	0	0	0	0	113.3	R325	R325-S343 PolarHBondContact NH1-O 3.22Å
344	Q	82.9	Confident	82.9	Confident	65 Å²	65	73.4 Å²	73.4	30%	0.304	37%	0.374	S	S	.	.	S	Bend	trans	-134.9	140.9	-179.8	-60.2	-176.1	40.9	0	0	111.3	V322 Y333 F342 S346 H347 L348	V322-Q344 HydrophobicContact CG1-CG 3.73Å; Y333-Q344 VanDerWaalsContact CD2-C 3.41Å; F342-Q344 VanDerWaalsContact C-N 3.29Å; Q344-S346 VanDerWaalsContact C-N 3.31Å; Q344-S346 PolarHBondContact O-N 3.05Å; Q344-H347 PolarHBondContact O-N 3.15Å; Q344-L348 PolarHBondContact O-N 3.34Å
345	K	79.2	Confident	82.7	Confident	129 Å²	129	69.7 Å²	69.7	56%	0.561	36%	0.357	S	S	*	.	H	α-helix	trans	-60.7	-37.8	177.8	-170.3	174.4	178.5	173.8	0	112.9	Y333 H347 L348 I349	Y333-K345 HydrophobicContact CD1-CB 3.84Å; Y333-K345 HydrophobicContact CD1-CG 4.14Å; Y333-K345 HydrophobicContact CE1-CB 3.58Å; Y333-K345 HydrophobicContact CE1-CD 4.26Å; Y333-K345 HydrophobicContact CE1-CG 4.04Å; Y333-K345 HydrophobicContact CE2-CB 4.29Å; Y333-K345 HydrophobicContact CG-CB 4.28Å; K345-H347 VanDerWaalsContact C-N 3.3Å; K345-H347 PolarHBondContact O-N 2.96Å; K345-L348 PolarHBondContact O-N 3.09Å; K345-I349 HydrophobicContact CG-CD1 4.16Å; K345-I349 WeakPolarHBondContact O-CG1 3.25Å; K345-I349 PolarHBondContact O-N 3.46Å
346	S	77.9	Confident	82.3	Confident	56 Å²	56	72.4 Å²	72.4	39%	0.392	37%	0.373	S	S	.	.	H	α-helix	trans	-57.5	-43.4	176.7	47.4	0	0	0	0	111.7	Q344 I349 I350	Q344-S346 VanDerWaalsContact C-N 3.31Å; Q344-S346 PolarHBondContact O-N 3.05Å; S346-I349 PolarHBondContact O-N 3.46Å; S346-I350 VanDerWaalsContact O-CG1 3.31Å; S346-I350 WeakPolarHBondContact O-CG1 3.35Å; S346-I350 PolarHBondContact O-N 3.42Å
347	H	81.9	Confident	81.9	Confident	82 Å²	82	73.1 Å²	73.1	38%	0.38	37%	0.37	S	S	.	.	H	α-helix	trans	-67.4	-37.4	177.9	-61.9	164.6	0	0	0	112.1	F342 Q344 K345 I350 H351	F342-H347 HydrophobicContact CB-CB 4.14Å; F342-H347 HydrophobicContact CD1-CB 3.82Å; F342-H347 HydrophobicContact CG-CB 4.19Å; Q344-H347 PolarHBondContact O-N 3.15Å; K345-H347 VanDerWaalsContact C-N 3.3Å; K345-H347 PolarHBondContact O-N 2.96Å; H347-I350 PolarHBondContact O-N 3.44Å; H347-H351 VanDerWaalsContact O-CB 3.26Å; H347-H351 WeakPolarHBondContact O-CB 3.39Å; H347-H351 PolarHBondContact O-N 3.18Å
348	L	82.4	Confident	81.6	Confident	17 Å²	17	72.7 Å²	72.7	9%	0.089	37%	0.368	C	S	.	.	H	α-helix	trans	-62	-46	172.6	174.3	63.4	0	0	0	111.5	E334 C335 F342 Q344 K345 I350 H351 Q352	E334-L348 WeakPolarHBondContact O-CD2 3.44Å; C335-L348 HydrophobicContact CB-CD1 3.85Å; F342-L348 HydrophobicContact CB-CB 4.38Å; F342-L348 HydrophobicContact CD2-CB 3.94Å; F342-L348 HydrophobicContact CD2-CD1 3.83Å; F342-L348 HydrophobicContact CE2-CD1 4.07Å; F342-L348 HydrophobicContact CG-CB 4.36Å; Q344-L348 PolarHBondContact O-N 3.34Å; K345-L348 PolarHBondContact O-N 3.09Å; L348-I350 VanDerWaalsContact C-N 3.33Å; L348-I350 PolarHBondContact O-N 2.84Å; L348-H351 WeakPolarHBondContact O-CB 3.45Å; L348-H351 PolarHBondContact O-N 3.13Å; L348-H351 VanDerWaalsContact O-N 3.13Å; L348-Q352 HydrophobicContact CD1-CG 4.22Å; L348-Q352 HydrophobicContact CG-CG 4.5Å; L348-Q352 WeakPolarHBondContact O-CG 3.42Å; L348-Q352 PolarHBondContact O-N 3.18Å
349	I	80.4	Confident	81.4	Confident	71 Å²	71	77.5 Å²	77.5	36%	0.364	39%	0.386	S	S	.	.	H	α-helix	trans	-61	-42.9	178.8	-67.8	167.6	0	0	0	111	K345 S346 H351 Q352	K345-I349 HydrophobicContact CG-CD1 4.16Å; K345-I349 WeakPolarHBondContact O-CG1 3.25Å; K345-I349 PolarHBondContact O-N 3.46Å; S346-I349 PolarHBondContact O-N 3.46Å; I349-H351 VanDerWaalsContact C-N 3.33Å; I349-Q352 PolarHBondContact O-N 2.93Å
350	I	78.1	Confident	81.2	Confident	45 Å²	45	73.4 Å²	73.4	23%	0.231	36%	0.36	C	S	.	.	H	α-helix	trans	-64.8	-41.2	175.8	-66.3	164.8	0	0	0	110.3	S346 H347 L348 R353 E372	S346-I350 VanDerWaalsContact O-CG1 3.31Å; S346-I350 WeakPolarHBondContact O-CG1 3.35Å; S346-I350 PolarHBondContact O-N 3.42Å; H347-I350 PolarHBondContact O-N 3.44Å; L348-I350 VanDerWaalsContact C-N 3.33Å; L348-I350 PolarHBondContact O-N 2.84Å; I350-R353 VanDerWaalsContact O-CB 3.32Å; I350-R353 WeakPolarHBondContact O-CB 3.39Å; I350-R353 PolarHBondContact O-N 3.2Å; I350-E372 HydrophobicContact CD1-CG 4.3Å; I350-E372 HydrophobicContact CG1-CG 4.39Å; I350-E372 HydrophobicContact CG2-CG 3.81Å; I350-E372 WeakPolarHBondContact CG2-OE1 3.36Å
351	H	82.4	Confident	81.2	Confident	20 Å²	20	69.7 Å²	69.7	9%	0.093	34%	0.343	C	S	.	.	H	α-helix	trans	-64.5	-39	178.4	174.6	61.7	0	0	0	113	C338 F342 H347 L348 I349 R353 V354 H355	C338-H351 PolarHBondContact SG-NE2 3.33Å; F342-H351 HydrophobicContact CE1-CB 3.97Å; F342-H351 HydrophobicContact CE2-CB 3.67Å; F342-H351 AromaticContact CE2-CD2 3.32Å; F342-H351 WeakPolarHBondContact CE2-CD2 3.43Å; F342-H351 AromaticContact CE2-CG 3.49Å; F342-H351 VanDerWaalsContact CE2-CG 3.49Å; F342-H351 HydrophobicContact CZ-CB 3.34Å; F342-H351 AromaticContact CZ-CD2 3.45Å; F342-H351 VanDerWaalsContact CZ-CD2 3.45Å; F342-H351 WeakPolarHBondContact CZ-CD2 3.42Å; F342-H351 AromaticContact CZ-CG 3.16Å; F342-H351 AromaticContact CZ-ND1 3.72Å; H347-H351 VanDerWaalsContact O-CB 3.26Å; H347-H351 WeakPolarHBondContact O-CB 3.39Å; H347-H351 PolarHBondContact O-N 3.18Å; L348-H351 WeakPolarHBondContact O-CB 3.45Å; L348-H351 PolarHBondContact O-N 3.13Å; L348-H351 VanDerWaalsContact O-N 3.13Å; I349-H351 VanDerWaalsContact C-N 3.33Å; H351-R353 PolarHBondContact O-N 3.47Å; H351-R353 VanDerWaalsContact O-N 3.15Å; H351-V354 WeakPolarHBondContact O-CB 3.48Å; H351-V354 VanDerWaalsContact O-CG2 3.31Å; H351-V354 WeakPolarHBondContact O-CG2 3.47Å; H351-V354 PolarHBondContact O-N 2.91Å; H351-H355 AromaticContact CE1-NE2 3.88Å; H351-H355 AromaticContact NE2-CE1 3.96Å; H351-H355 AromaticContact NE2-NE2 3.3Å; H351-H355 PolarHBondContact NE2-NE2 3.25Å
352	Q	80.6	Confident	81.2	Confident	60 Å²	60	73.7 Å²	73.7	28%	0.28	36%	0.358	S	S	.	.	H	α-helix	trans	-57.6	-29.2	176.7	-76.2	172.9	-31.9	0	0	112.5	L348 I349 V354 H355 T356	L348-Q352 HydrophobicContact CD1-CG 4.22Å; L348-Q352 HydrophobicContact CG-CG 4.5Å; L348-Q352 WeakPolarHBondContact O-CG 3.42Å; L348-Q352 PolarHBondContact O-N 3.18Å; I349-Q352 PolarHBondContact O-N 2.93Å; Q352-V354 PolarHBondContact O-N 3.18Å; Q352-V354 VanDerWaalsContact O-N 3.16Å; Q352-H355 PolarHBondContact O-N 3.46Å; Q352-T356 PolarHBondContact O-N 3.47Å; Q352-T356 VanDerWaalsContact O-N 3.11Å; Q352-T356 PolarHBondContact O-OG1 3.09Å
353	R	84.1	Confident	81.3	Confident	37 Å²	37	71.8 Å²	71.8	14%	0.14	35%	0.349	C	S	.	.	H	α-helix	trans	-62.7	-19.5	173.8	-61.1	177	-179.2	157.7	3.7	113.8	I350 H351 H355 T356 R357 E358 C371	I350-R353 VanDerWaalsContact O-CB 3.32Å; I350-R353 WeakPolarHBondContact O-CB 3.39Å; I350-R353 PolarHBondContact O-N 3.2Å; H351-R353 PolarHBondContact O-N 3.47Å; H351-R353 VanDerWaalsContact O-N 3.15Å; R353-H355 VanDerWaalsContact C-N 3.33Å; R353-T356 WeakPolarHBondContact CA-OG1 3.2Å; R353-R357 VanDerWaalsContact O-CA 3.26Å; R353-R357 WeakPolarHBondContact O-CA 3.44Å; R353-R357 PolarHBondContact O-N 3.31Å; R353-E358 HydrophobicContact CG-CB 4.47Å; R353-E358 PolarHBondContact O-N 3.12Å; R353-C371 HydrophobicContact CB-CB 4.34Å; R353-C371 WeakPolarHBondContact CD-O 3.29Å; R353-C371 PolarHBondContact NH1-O 3.25Å
354	V	80.6	Confident	81.3	Confident	96 Å²	96	74.8 Å²	74.8	58%	0.582	37%	0.37	S	S	*	.	H	α-helix	trans	-67.4	-39	173.5	179.5	0	0	0	0	110.4	H351 Q352	H351-V354 WeakPolarHBondContact O-CB 3.48Å; H351-V354 VanDerWaalsContact O-CG2 3.31Å; H351-V354 WeakPolarHBondContact O-CG2 3.47Å; H351-V354 PolarHBondContact O-N 2.91Å; Q352-V354 PolarHBondContact O-N 3.18Å; Q352-V354 VanDerWaalsContact O-N 3.16Å
355	H	81.4	Confident	81.3	Confident	59 Å²	59	77.3 Å²	77.3	27%	0.273	38%	0.382	S	S	.	.	H	α-helix	trans	-82.6	-42.9	-178.2	-52.5	-54.4	0	0	0	112.2	C335 E337 H351 Q352 R353 R357	C335-H355 PolarHBondContact SG-NE2 3.21Å; E337-H355 WeakPolarHBondContact OE2-CB 3.44Å; E337-H355 IonicContact OE2-CD2 3.89Å; E337-H355 IonicContact OE2-CG 2.79Å; H351-H355 AromaticContact CE1-NE2 3.88Å; H351-H355 AromaticContact NE2-CE1 3.96Å; H351-H355 AromaticContact NE2-NE2 3.3Å; H351-H355 PolarHBondContact NE2-NE2 3.25Å; Q352-H355 PolarHBondContact O-N 3.46Å; R353-H355 VanDerWaalsContact C-N 3.33Å; H355-R357 PolarHBondContact O-N 3.3Å
356	T	79.6	Confident	81.7	Confident	69 Å²	69	73.5 Å²	73.5	42%	0.423	37%	0.371	S	S	.	.	H	α-helix	trans	-72.7	-10.7	175.9	64.3	0	0	0	0	113	Q352 R353 E358	Q352-T356 PolarHBondContact O-N 3.47Å; Q352-T356 VanDerWaalsContact O-N 3.11Å; Q352-T356 PolarHBondContact O-OG1 3.09Å; R353-T356 WeakPolarHBondContact CA-OG1 3.2Å; T356-E358 PolarHBondContact O-N 3.38Å; T356-E358 WeakPolarHBondContact OG1-CB 3.5Å; T356-E358 WeakPolarHBondContact OG1-CG 3.39Å; T356-E358 PolarHBondContact OG1-N 3.11Å
357	R	75.6	Confident	82.1	Confident	213 Å²	213	80.4 Å²	80.4	80%	0.804	39%	0.388	S	S	*	.			trans	53.4	18.7	-172.1	-59.8	-176.9	178	-175	0.7	113.8	R353 H355 K359	R353-R357 VanDerWaalsContact O-CA 3.26Å; R353-R357 WeakPolarHBondContact O-CA 3.44Å; R353-R357 PolarHBondContact O-N 3.31Å; H355-R357 PolarHBondContact O-N 3.3Å; R357-K359 PolarHBondContact O-N 3.21Å
358	E	77.4	Confident	82.1	Confident	110 Å²	110	82.6 Å²	82.6	51%	0.514	40%	0.397	S	S	.	.			trans	-66.6	125.8	178.1	-75.3	176.3	-176.7	0	0	110.4	R353 T356	R353-E358 HydrophobicContact CG-CB 4.47Å; R353-E358 PolarHBondContact O-N 3.12Å; T356-E358 PolarHBondContact O-N 3.38Å; T356-E358 WeakPolarHBondContact OG1-CB 3.5Å; T356-E358 WeakPolarHBondContact OG1-CG 3.39Å; T356-E358 PolarHBondContact OG1-N 3.11Å
359	K	81.5	Confident	82.2	Confident	128 Å²	128	83.3 Å²	83.3	56%	0.557	41%	0.405	S	S	*	.			trans	-125.4	78.7	175.6	-69.8	170.4	169.5	-168.7	0	108.9	R357 F361 A369 F370	R357-K359 PolarHBondContact O-N 3.21Å; K359-F361 PolarHBondContact O-N 2.77Å; K359-F361 VanDerWaalsContact O-N 3.14Å; K359-A369 HydrophobicContact CB-CB 3.45Å; K359-A369 VanDerWaalsContact CB-CB 3.45Å; K359-A369 HydrophobicContact CD-CB 4.08Å; K359-A369 WeakPolarHBondContact CD-O 3.41Å; K359-A369 HydrophobicContact CG-CB 4.39Å; K359-F370 CarbonylContact C-O 3.57Å; K359-F370 VanDerWaalsContact C-O 3.32Å; K359-F370 WeakPolarHBondContact CA-O 3.29Å
360	P	81.3	Confident	82.3	Confident	55 Å²	55	82 Å²	82	36%	0.357	40%	0.397	S	S	.	.			trans	-67.5	-15.6	-170.8	-21.2	34.3	0	0	0	114.3
361	F	83.2	Confident	82.3	Confident	46 Å²	46	81.8 Å²	81.8	20%	0.202	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	95.9	-173.2	-54.6	-72.4	0	0	0	110	K359 A369 F370 M373 L376	K359-F361 PolarHBondContact O-N 2.77Å; K359-F361 VanDerWaalsContact O-N 3.14Å; F361-A369 CarbonylContact O-C 3.34Å; F361-A369 WeakPolarHBondContact O-CA 3.35Å; F361-F370 HydrophobicContact CB-CB 4.46Å; F361-F370 PolarHBondContact N-O 3.48Å; F361-F370 PolarHBondContact O-N 2.76Å; F361-M373 HydrophobicContact CD1-CB 4.01Å; F361-M373 HydrophobicContact CD1-CE 3.47Å; F361-M373 VanDerWaalsContact CD1-CE 3.47Å; F361-M373 HydrophobicContact CD1-SD 3.79Å; F361-M373 HydrophobicContact CE1-CB 3.92Å; F361-M373 HydrophobicContact CE1-CE 3.57Å; F361-M373 HydrophobicContact CE1-SD 4.28Å; F361-M373 HydrophobicContact CE2-CB 4.49Å; F361-M373 HydrophobicContact CG-CB 4.34Å; F361-M373 HydrophobicContact CG-SD 4.48Å; F361-M373 HydrophobicContact CZ-CB 4.16Å; F361-L376 HydrophobicContact CB-CB 4.04Å; F361-L376 HydrophobicContact CB-CD2 3.82Å
362	E	84.6	Confident	82.1	Confident	111 Å²	111	83.3 Å²	83.3	52%	0.519	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	137.5	179.9	-168.9	178.3	165.9	0	0	112.1	R367 A369	E362-R367 WeakPolarHBondContact OE1-CA 3.42Å; E362-R367 VanDerWaalsContact OE1-CB 3.29Å; E362-R367 WeakPolarHBondContact OE1-CB 3.46Å; E362-R367 WeakPolarHBondContact OE1-CG 3.38Å; E362-A369 HydrophobicContact CB-CB 4.44Å; E362-A369 HydrophobicContact CG-CB 4.48Å
363	C	87.3	Confident	81.8	Confident	0 Å²	0	85.8 Å²	85.8	0%	0	42%	0.419	C	S	.	.			trans	-76.2	120.5	170.9	-178.3	0	0	0	0	110.5	E365 R367 K368 L376 H383	C363-E365 PolarHBondContact O-N 3.19Å; C363-R367 WeakPolarHBondContact O-CA 3.32Å; C363-R367 PolarHBondContact O-N 3.49Å; C363-K368 WeakPolarHBondContact CB-O 3.35Å; C363-K368 PolarHBondContact N-O 3.15Å; C363-L376 HydrophobicContact CB-CD1 3.62Å; C363-H383 PolarHBondContact SG-NE2 3.26Å; C363-H383 VanDerWaalsContact SG-NE2 3.45Å
364	S	84.4	Confident	81.3	Confident	101 Å²	101	86.6 Å²	86.6	71%	0.706	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-28.3	177.5	48.4	0	0	0	0	114
365	E	84.4	Confident	81.2	Confident	119 Å²	119	85.2 Å²	85.2	56%	0.556	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-41.6	-173.1	-66	174.3	-156.1	0	0	113.2	C363 H383	C363-E365 PolarHBondContact O-N 3.19Å; E365-H383 WeakPolarHBondContact OE2-CB 3.44Å; E365-H383 IonicContact OE2-CD2 3.09Å; E365-H383 PolarHBondContact OE2-CD2 2.89Å; E365-H383 VanDerWaalsContact OE2-CD2 3.3Å; E365-H383 IonicContact OE2-CG 2.53Å
366	C	87.4	Confident	81.2	Confident	49 Å²	49	82.9 Å²	82.9	33%	0.331	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	10.3	-176.3	81.7	0	0	0	0	114.2	K368 H379 H383	C366-K368 PolarHBondContact O-N 3.09Å; C366-K368 VanDerWaalsContact SG-CG 3.55Å; C366-H379 PolarHBondContact SG-NE2 3.3Å; C366-H383 PolarHBondContact SG-NE2 3.17Å; C366-H383 VanDerWaalsContact SG-NE2 3.42Å
367	R	84.9	Confident	81.2	Confident	201 Å²	201	84.9 Å²	84.9	76%	0.758	41%	0.41	S	S	*	.			trans	54.8	17.4	178.6	-58.7	-172.7	-174.9	171.7	0.6	115.2	E362 C363 A369	E362-R367 WeakPolarHBondContact OE1-CA 3.42Å; E362-R367 VanDerWaalsContact OE1-CB 3.29Å; E362-R367 WeakPolarHBondContact OE1-CB 3.46Å; E362-R367 WeakPolarHBondContact OE1-CG 3.38Å; C363-R367 WeakPolarHBondContact O-CA 3.32Å; C363-R367 PolarHBondContact O-N 3.49Å; R367-A369 PolarHBondContact O-N 3.09Å
368	K	83.2	Confident	81.3	Confident	128 Å²	128	76.6 Å²	76.6	56%	0.557	38%	0.381	S	S	*	.			trans	-74.8	125	174.2	-77.9	-179.9	-177.6	172.6	0	108.8	C363 C366 F370	C363-K368 WeakPolarHBondContact CB-O 3.35Å; C363-K368 PolarHBondContact N-O 3.15Å; C366-K368 PolarHBondContact O-N 3.09Å; C366-K368 VanDerWaalsContact SG-CG 3.55Å; K368-F370 HydrophobicContact CB-CE2 3.94Å; K368-F370 HydrophobicContact CB-CZ 4.08Å; K368-F370 WeakPolarHBondContact O-CD2 3.19Å; K368-F370 VanDerWaalsContact O-CE2 3.28Å; K368-F370 WeakPolarHBondContact O-CE2 3.4Å
369	A	84.4	Confident	81.5	Confident	31 Å²	31	72.4 Å²	72.4	26%	0.256	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	143.3	-178.9	0	0	0	0	0	112.1	K359 F361 E362 R367	K359-A369 HydrophobicContact CB-CB 3.45Å; K359-A369 VanDerWaalsContact CB-CB 3.45Å; K359-A369 HydrophobicContact CD-CB 4.08Å; K359-A369 WeakPolarHBondContact CD-O 3.41Å; K359-A369 HydrophobicContact CG-CB 4.39Å; F361-A369 CarbonylContact O-C 3.34Å; F361-A369 WeakPolarHBondContact O-CA 3.35Å; E362-A369 HydrophobicContact CB-CB 4.44Å; E362-A369 HydrophobicContact CG-CB 4.48Å; R367-A369 PolarHBondContact O-N 3.09Å
370	F	82.1	Confident	81.4	Confident	44 Å²	44	69.2 Å²	69.2	19%	0.193	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151	-176.4	-58.9	-89	0	0	0	111.1	K359 F361 K368 E372 H375 L376 H379	K359-F370 CarbonylContact C-O 3.57Å; K359-F370 VanDerWaalsContact C-O 3.32Å; K359-F370 WeakPolarHBondContact CA-O 3.29Å; F361-F370 HydrophobicContact CB-CB 4.46Å; F361-F370 PolarHBondContact N-O 3.48Å; F361-F370 PolarHBondContact O-N 2.76Å; K368-F370 HydrophobicContact CB-CE2 3.94Å; K368-F370 HydrophobicContact CB-CZ 4.08Å; K368-F370 WeakPolarHBondContact O-CD2 3.19Å; K368-F370 VanDerWaalsContact O-CE2 3.28Å; K368-F370 WeakPolarHBondContact O-CE2 3.4Å; F370-E372 VanDerWaalsContact C-N 3.32Å; F370-H375 HydrophobicContact CB-CB 4.13Å; F370-H375 HydrophobicContact CD1-CB 3.84Å; F370-H375 HydrophobicContact CG-CB 4.2Å; F370-L376 HydrophobicContact CB-CB 4.38Å; F370-L376 HydrophobicContact CD2-CB 3.89Å; F370-L376 HydrophobicContact CD2-CD1 3.8Å; F370-L376 HydrophobicContact CD2-CG 4.46Å; F370-L376 HydrophobicContact CE2-CD1 3.97Å; F370-L376 HydrophobicContact CG-CB 4.34Å; F370-H379 HydrophobicContact CE1-CB 4.05Å; F370-H379 HydrophobicContact CE2-CB 3.75Å; F370-H379 AromaticContact CE2-CD2 3.32Å; F370-H379 WeakPolarHBondContact CE2-CD2 3.4Å; F370-H379 AromaticContact CE2-CG 3.6Å; F370-H379 HydrophobicContact CZ-CB 3.38Å; F370-H379 AromaticContact CZ-CD2 3.45Å; F370-H379 VanDerWaalsContact CZ-CD2 3.45Å; F370-H379 WeakPolarHBondContact CZ-CD2 3.4Å; F370-H379 AromaticContact CZ-CG 3.26Å; F370-H379 AromaticContact CZ-ND1 3.93Å
371	C	78.6	Confident	81.4	Confident	40 Å²	40	67 Å²	67	27%	0.27	33%	0.334	S	S	.	.	S	Bend	trans	-78.3	-16.3	175.8	56.7	0	0	0	0	113	R353	R353-C371 HydrophobicContact CB-CB 4.34Å; R353-C371 WeakPolarHBondContact CD-O 3.29Å; R353-C371 PolarHBondContact NH1-O 3.25Å
372	E	77.1	Confident	81.3	Confident	53 Å²	53	69.5 Å²	69.5	25%	0.248	35%	0.353	C	S	.	.	S	Bend	trans	-136.4	143.2	-179.3	-67.4	178	-123	0	0	111.3	I350 F370 S374 H375 L376	I350-E372 HydrophobicContact CD1-CG 4.3Å; I350-E372 HydrophobicContact CG1-CG 4.39Å; I350-E372 HydrophobicContact CG2-CG 3.81Å; I350-E372 WeakPolarHBondContact CG2-OE1 3.36Å; F370-E372 VanDerWaalsContact C-N 3.32Å; E372-S374 VanDerWaalsContact C-N 3.3Å; E372-S374 PolarHBondContact O-N 3.46Å; E372-S374 PolarHBondContact OE2-OG 2.8Å; E372-H375 PolarHBondContact O-N 3.43Å; E372-H375 IonicContact OE1-CE1 3.11Å; E372-H375 PolarHBondContact OE1-CE1 3.42Å; E372-H375 IonicContact OE1-ND1 3.18Å; E372-L376 PolarHBondContact O-N 3.15Å
373	M	74.8	Confident	81	Confident	111 Å²	111	67.8 Å²	67.8	55%	0.547	34%	0.344	S	S	.	.	H	α-helix	trans	-62.6	-36.1	176.9	-174.9	65	88	0	0	112.3	F361 H375 L376 F377	F361-M373 HydrophobicContact CD1-CB 4.01Å; F361-M373 HydrophobicContact CD1-CE 3.47Å; F361-M373 VanDerWaalsContact CD1-CE 3.47Å; F361-M373 HydrophobicContact CD1-SD 3.79Å; F361-M373 HydrophobicContact CE1-CB 3.92Å; F361-M373 HydrophobicContact CE1-CE 3.57Å; F361-M373 HydrophobicContact CE1-SD 4.28Å; F361-M373 HydrophobicContact CE2-CB 4.49Å; F361-M373 HydrophobicContact CG-CB 4.34Å; F361-M373 HydrophobicContact CG-SD 4.48Å; F361-M373 HydrophobicContact CZ-CB 4.16Å; M373-H375 VanDerWaalsContact C-N 3.28Å; M373-H375 PolarHBondContact O-N 2.9Å; M373-L376 PolarHBondContact O-N 3.15Å; M373-L376 HydrophobicContact SD-CD2 4.06Å; M373-F377 WeakPolarHBondContact O-CB 3.23Å; M373-F377 PolarHBondContact O-N 2.84Å
374	S	74.1	Confident	80.6	Confident	55 Å²	55	71.4 Å²	71.4	39%	0.385	37%	0.367	S	S	.	.	H	α-helix	trans	-57	-42.9	175.9	56.7	0	0	0	0	111.5	E372 F377 I378	E372-S374 VanDerWaalsContact C-N 3.3Å; E372-S374 PolarHBondContact O-N 3.46Å; E372-S374 PolarHBondContact OE2-OG 2.8Å; S374-F377 PolarHBondContact O-N 3.35Å; S374-I378 VanDerWaalsContact O-CD1 3.29Å; S374-I378 WeakPolarHBondContact O-CD1 3.35Å; S374-I378 VanDerWaalsContact O-CG1 3.31Å; S374-I378 WeakPolarHBondContact O-CG1 3.48Å; S374-I378 PolarHBondContact O-N 2.91Å
375	H	79	Confident	80.1	Confident	66 Å²	66	69 Å²	69	31%	0.306	36%	0.358	S	S	.	.	H	α-helix	trans	-68.5	-40.1	177.5	-65.1	153.4	0	0	0	112.2	F370 E372 M373 I378 H379	F370-H375 HydrophobicContact CB-CB 4.13Å; F370-H375 HydrophobicContact CD1-CB 3.84Å; F370-H375 HydrophobicContact CG-CB 4.2Å; E372-H375 PolarHBondContact O-N 3.43Å; E372-H375 IonicContact OE1-CE1 3.11Å; E372-H375 PolarHBondContact OE1-CE1 3.42Å; E372-H375 IonicContact OE1-ND1 3.18Å; M373-H375 VanDerWaalsContact C-N 3.28Å; M373-H375 PolarHBondContact O-N 2.9Å; H375-I378 PolarHBondContact O-N 3.39Å; H375-H379 WeakPolarHBondContact O-CB 3.4Å; H375-H379 PolarHBondContact O-N 3.19Å
376	L	81.6	Confident	79.7	Confident	11 Å²	11	71.5 Å²	71.5	6%	0.058	37%	0.367	C	S	.	.	H	α-helix	trans	-61.6	-46.8	172.8	174.1	61.1	0	0	0	111.6	F361 C363 F370 E372 M373 I378 H379 Q380	F361-L376 HydrophobicContact CB-CB 4.04Å; F361-L376 HydrophobicContact CB-CD2 3.82Å; C363-L376 HydrophobicContact CB-CD1 3.62Å; F370-L376 HydrophobicContact CB-CB 4.38Å; F370-L376 HydrophobicContact CD2-CB 3.89Å; F370-L376 HydrophobicContact CD2-CD1 3.8Å; F370-L376 HydrophobicContact CD2-CG 4.46Å; F370-L376 HydrophobicContact CE2-CD1 3.97Å; F370-L376 HydrophobicContact CG-CB 4.34Å; E372-L376 PolarHBondContact O-N 3.15Å; M373-L376 PolarHBondContact O-N 3.15Å; M373-L376 HydrophobicContact SD-CD2 4.06Å; L376-I378 VanDerWaalsContact C-N 3.35Å; L376-I378 PolarHBondContact O-N 3.04Å; L376-H379 CarbonylContact O-C 3.59Å; L376-H379 WeakPolarHBondContact O-CA 3.41Å; L376-H379 WeakPolarHBondContact O-CB 3.04Å; L376-H379 PolarHBondContact O-N 3.16Å; L376-H379 VanDerWaalsContact O-N 3.09Å; L376-Q380 HydrophobicContact CD1-CG 4.16Å; L376-Q380 HydrophobicContact CG-CG 4.49Å; L376-Q380 WeakPolarHBondContact O-CG 3.11Å; L376-Q380 PolarHBondContact O-N 3.21Å
377	F	79.1	Confident	79.4	Confident	111 Å²	111	73.7 Å²	73.7	49%	0.487	37%	0.371	S	S	.	.	H	α-helix	trans	-58.1	-46.6	178.1	177	-101.2	0	0	0	111.7	M373 S374 H379 Q380 I381	M373-F377 WeakPolarHBondContact O-CB 3.23Å; M373-F377 PolarHBondContact O-N 2.84Å; S374-F377 PolarHBondContact O-N 3.35Å; F377-H379 VanDerWaalsContact C-N 3.27Å; F377-H379 PolarHBondContact O-N 3.21Å; F377-Q380 PolarHBondContact O-N 2.79Å; F377-I381 HydrophobicContact CD1-CD1 4.25Å; F377-I381 HydrophobicContact CE1-CD1 3.88Å; F377-I381 HydrophobicContact CZ-CD1 4.42Å; F377-I381 WeakPolarHBondContact O-CG1 3.18Å; F377-I381 PolarHBondContact O-N 3.46Å
378	I	77.5	Confident	79.2	Confident	39 Å²	39	67.9 Å²	67.9	20%	0.2	36%	0.359	C	S	.	.	H	α-helix	trans	-64.2	-35	176.8	-68.3	156.5	0	0	0	111.6	S374 H375 L376 I381 P399 R400	S374-I378 VanDerWaalsContact O-CD1 3.29Å; S374-I378 WeakPolarHBondContact O-CD1 3.35Å; S374-I378 VanDerWaalsContact O-CG1 3.31Å; S374-I378 WeakPolarHBondContact O-CG1 3.48Å; S374-I378 PolarHBondContact O-N 2.91Å; H375-I378 PolarHBondContact O-N 3.39Å; L376-I378 VanDerWaalsContact C-N 3.35Å; L376-I378 PolarHBondContact O-N 3.04Å; I378-I381 WeakPolarHBondContact O-CB 3.4Å; I378-I381 PolarHBondContact O-N 3.16Å; I378-P399 HydrophobicContact CG2-CB 4.45Å; I378-R400 HydrophobicContact CD1-CG 4.22Å; I378-R400 HydrophobicContact CG1-CG 4.45Å
379	H	81.6	Confident	79.3	Confident	21 Å²	21	66.1 Å²	66.1	10%	0.097	35%	0.35	C	S	.	.	H	α-helix	trans	-69.1	-38.8	174.7	172.4	59.3	0	0	0	112.4	C366 F370 H375 L376 F377 I381 T382 H383	C366-H379 PolarHBondContact SG-NE2 3.3Å; F370-H379 HydrophobicContact CE1-CB 4.05Å; F370-H379 HydrophobicContact CE2-CB 3.75Å; F370-H379 AromaticContact CE2-CD2 3.32Å; F370-H379 WeakPolarHBondContact CE2-CD2 3.4Å; F370-H379 AromaticContact CE2-CG 3.6Å; F370-H379 HydrophobicContact CZ-CB 3.38Å; F370-H379 AromaticContact CZ-CD2 3.45Å; F370-H379 VanDerWaalsContact CZ-CD2 3.45Å; F370-H379 WeakPolarHBondContact CZ-CD2 3.4Å; F370-H379 AromaticContact CZ-CG 3.26Å; F370-H379 AromaticContact CZ-ND1 3.93Å; H375-H379 WeakPolarHBondContact O-CB 3.4Å; H375-H379 PolarHBondContact O-N 3.19Å; L376-H379 CarbonylContact O-C 3.59Å; L376-H379 WeakPolarHBondContact O-CA 3.41Å; L376-H379 WeakPolarHBondContact O-CB 3.04Å; L376-H379 PolarHBondContact O-N 3.16Å; L376-H379 VanDerWaalsContact O-N 3.09Å; F377-H379 VanDerWaalsContact C-N 3.27Å; F377-H379 PolarHBondContact O-N 3.21Å; H379-I381 PolarHBondContact O-N 2.94Å; H379-T382 PolarHBondContact ND1-OG1 3.41Å; H379-T382 WeakPolarHBondContact O-CB 3.37Å; H379-T382 PolarHBondContact O-N 3.45Å; H379-T382 PolarHBondContact O-OG1 2.88Å; H379-H383 AromaticContact CD2-NE2 3.94Å; H379-H383 AromaticContact CE1-CE1 3.77Å; H379-H383 AromaticContact CE1-NE2 3.38Å; H379-H383 PolarHBondContact CE1-NE2 3.31Å; H379-H383 AromaticContact NE2-CD2 3.98Å; H379-H383 AromaticContact NE2-CE1 3.87Å; H379-H383 AromaticContact NE2-NE2 3.09Å; H379-H383 PolarHBondContact NE2-NE2 3.11Å
380	Q	78.6	Confident	79.4	Confident	61 Å²	61	70.4 Å²	70.4	29%	0.285	37%	0.365	S	S	.	.	H	α-helix	trans	-62.4	-28.4	175.1	-73.9	172.8	-31	0	0	112.5	L376 F377 T382 H383 T384	L376-Q380 HydrophobicContact CD1-CG 4.16Å; L376-Q380 HydrophobicContact CG-CG 4.49Å; L376-Q380 WeakPolarHBondContact O-CG 3.11Å; L376-Q380 PolarHBondContact O-N 3.21Å; F377-Q380 PolarHBondContact O-N 2.79Å; Q380-T382 PolarHBondContact O-N 3.11Å; Q380-H383 PolarHBondContact O-N 3.4Å; Q380-T384 PolarHBondContact O-N 2.97Å; Q380-T384 VanDerWaalsContact O-N 3.13Å; Q380-T384 PolarHBondContact O-OG1 3.14Å; Q380-T384 VanDerWaalsContact O-OG1 3.07Å
381	I	82.1	Confident	79.8	Confident	10 Å²	10	68.3 Å²	68.3	5%	0.051	36%	0.355	C	S	.	.	H	α-helix	trans	-60.8	-28.2	170.9	-63	169.5	0	0	0	111.5	F377 I378 H379 H383 T384 G385 K387 P388 P399	F377-I381 HydrophobicContact CD1-CD1 4.25Å; F377-I381 HydrophobicContact CE1-CD1 3.88Å; F377-I381 HydrophobicContact CZ-CD1 4.42Å; F377-I381 WeakPolarHBondContact O-CG1 3.18Å; F377-I381 PolarHBondContact O-N 3.46Å; I378-I381 WeakPolarHBondContact O-CB 3.4Å; I378-I381 PolarHBondContact O-N 3.16Å; H379-I381 PolarHBondContact O-N 2.94Å; I381-H383 VanDerWaalsContact C-N 3.32Å; I381-H383 PolarHBondContact O-N 2.81Å; I381-T384 WeakPolarHBondContact CA-OG1 3.32Å; I381-G385 PolarHBondContact O-N 2.99Å; I381-K387 HydrophobicContact CG2-CB 4.41Å; I381-K387 HydrophobicContact CG2-CG 3.75Å; I381-P388 HydrophobicContact CD1-CG 4.31Å; I381-P399 HydrophobicContact CD1-CB 4.09Å; I381-P399 HydrophobicContact CG2-CB 4.03Å
382	T	80.5	Confident	80.2	Confident	98 Å²	98	72.5 Å²	72.5	60%	0.601	38%	0.38	S	S	*	.	H	α-helix	trans	-71	-28	178.4	69.2	0	0	0	0	113.2	H379 Q380	H379-T382 PolarHBondContact ND1-OG1 3.41Å; H379-T382 WeakPolarHBondContact O-CB 3.37Å; H379-T382 PolarHBondContact O-N 3.45Å; H379-T382 PolarHBondContact O-OG1 2.88Å; Q380-T382 PolarHBondContact O-N 3.11Å
383	H	79.4	Confident	80.7	Confident	74 Å²	74	75.4 Å²	75.4	34%	0.343	39%	0.394	S	S	.	.	H	α-helix	trans	-84.7	-43.8	177.6	-58.4	-53.2	0	0	0	112	C363 E365 C366 H379 Q380 I381 G385	C363-H383 PolarHBondContact SG-NE2 3.26Å; C363-H383 VanDerWaalsContact SG-NE2 3.45Å; E365-H383 WeakPolarHBondContact OE2-CB 3.44Å; E365-H383 IonicContact OE2-CD2 3.09Å; E365-H383 PolarHBondContact OE2-CD2 2.89Å; E365-H383 VanDerWaalsContact OE2-CD2 3.3Å; E365-H383 IonicContact OE2-CG 2.53Å; C366-H383 PolarHBondContact SG-NE2 3.17Å; C366-H383 VanDerWaalsContact SG-NE2 3.42Å; H379-H383 AromaticContact CD2-NE2 3.94Å; H379-H383 AromaticContact CE1-CE1 3.77Å; H379-H383 AromaticContact CE1-NE2 3.38Å; H379-H383 PolarHBondContact CE1-NE2 3.31Å; H379-H383 AromaticContact NE2-CD2 3.98Å; H379-H383 AromaticContact NE2-CE1 3.87Å; H379-H383 AromaticContact NE2-NE2 3.09Å; H379-H383 PolarHBondContact NE2-NE2 3.11Å; Q380-H383 PolarHBondContact O-N 3.4Å; I381-H383 VanDerWaalsContact C-N 3.32Å; I381-H383 PolarHBondContact O-N 2.81Å; H383-G385 VanDerWaalsContact C-N 3.28Å; H383-G385 PolarHBondContact O-N 3.42Å
384	T	78.1	Confident	81.3	Confident	77 Å²	77	72.6 Å²	72.6	47%	0.472	38%	0.384	S	S	.	.	H	α-helix	trans	-74.3	-19.4	-178.7	56	0	0	0	0	113.2	Q380 I381 K386	Q380-T384 PolarHBondContact O-N 2.97Å; Q380-T384 VanDerWaalsContact O-N 3.13Å; Q380-T384 PolarHBondContact O-OG1 3.14Å; Q380-T384 VanDerWaalsContact O-OG1 3.07Å; I381-T384 WeakPolarHBondContact CA-OG1 3.32Å; T384-K386 PolarHBondContact O-N 3.02Å
385	G	74.6	Confident	81.8	Confident	51 Å²	51	71.9 Å²	71.9	53%	0.526	39%	0.386	S	S	.	.			trans	67	-11	-175.6	0	0	0	0	0	114.6	I381 H383 K387	I381-G385 PolarHBondContact O-N 2.99Å; H383-G385 VanDerWaalsContact C-N 3.28Å; H383-G385 PolarHBondContact O-N 3.42Å; G385-K387 PolarHBondContact O-N 3.49Å
386	K	75.5	Confident	82.1	Confident	170 Å²	170	74.5 Å²	74.5	74%	0.739	40%	0.396	S	S	*	.			trans	-77.6	84.4	-178.9	-67.6	-174.7	-177.8	-177.6	0	110.3	T384 P388	T384-K386 PolarHBondContact O-N 3.02Å; K386-P388 VanDerWaalsContact O-CD 3.25Å; K386-P388 WeakPolarHBondContact O-CD 3.47Å
387	K	81.9	Confident	82.3	Confident	95 Å²	95	76.4 Å²	76.4	41%	0.413	41%	0.408	S	S	.	.			trans	-77	110.5	172	-73.7	-179.8	-168.6	170.2	0	109.2	I381 G385 Y389 T397	I381-K387 HydrophobicContact CG2-CB 4.41Å; I381-K387 HydrophobicContact CG2-CG 3.75Å; G385-K387 PolarHBondContact O-N 3.49Å; K387-Y389 PolarHBondContact O-N 3.47Å; K387-Y389 VanDerWaalsContact O-N 3.15Å; K387-T397 WeakPolarHBondContact CD-O 3.37Å
388	P	79.7	Confident	82.6	Confident	79 Å²	79	72.9 Å²	72.9	51%	0.513	39%	0.393	S	S	.	.	S	Bend	trans	-69.8	-15.1	-166.6	-21.4	33.9	0	0	0	115.3	I381 K386	I381-P388 HydrophobicContact CD1-CG 4.31Å; K386-P388 VanDerWaalsContact O-CD 3.25Å; K386-P388 WeakPolarHBondContact O-CD 3.47Å
389	Y	84.4	Confident	82.7	Confident	91 Å²	91	72.2 Å²	72.2	36%	0.357	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	101	-172.8	-57.1	-73.9	0	0	0	109.9	K387 T397 F398 K401	K387-Y389 PolarHBondContact O-N 3.47Å; K387-Y389 VanDerWaalsContact O-N 3.15Å; Y389-T397 CarbonylContact O-C 3.59Å; Y389-T397 WeakPolarHBondContact O-CA 3.38Å; Y389-F398 WeakPolarHBondContact CB-O 3.34Å; Y389-F398 WeakPolarHBondContact CD2-O 3.45Å; Y389-F398 PolarHBondContact N-O 3.42Å; Y389-F398 PolarHBondContact O-N 3.05Å; Y389-K401 HydrophobicContact CD1-CB 3.96Å; Y389-K401 HydrophobicContact CD1-CG 4.32Å; Y389-K401 VanDerWaalsContact CD2-N 3.33Å; Y389-K401 HydrophobicContact CE1-CB 3.71Å; Y389-K401 HydrophobicContact CE1-CG 4.25Å; Y389-K401 HydrophobicContact CE2-CB 4.35Å; Y389-K401 VanDerWaalsContact CE2-N 3.34Å; Y389-K401 HydrophobicContact CG-CB 4.39Å
390	E	87.6	Confident	82.6	Confident	121 Å²	121	76 Å²	76	57%	0.565	41%	0.405	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	140.4	179.9	-173.6	173.4	173.4	0	0	111.9	T397	E390-T397 HydrophobicContact CB-CG2 4.02Å; E390-T397 HydrophobicContact CG-CG2 3.96Å
391	C	89.8	Confident	82.6	Confident	0 Å²	0	79.4 Å²	79.4	0%	0	42%	0.418	C	S	.	.			trans	-85.2	118.2	169.5	177.9	0	0	0	0	109.9	E393 C394 G395 K396 F398 L404 H411	C391-E393 PolarHBondContact O-N 2.86Å; C391-C394 PolarHBondContact O-N 3.36Å; C391-C394 VanDerWaalsContact SG-SG 3.61Å; C391-G395 VanDerWaalsContact O-CA 3.28Å; C391-G395 WeakPolarHBondContact O-CA 3.48Å; C391-G395 PolarHBondContact O-N 2.89Å; C391-K396 WeakPolarHBondContact CB-O 3.27Å; C391-K396 PolarHBondContact N-O 3.09Å; C391-F398 HydrophobicContact CB-CE2 4.36Å; C391-L404 HydrophobicContact CB-CD1 3.66Å; C391-H411 PolarHBondContact SG-NE2 2.82Å; C391-H411 VanDerWaalsContact SG-NE2 3.43Å
392	T	87.7	Confident	82.5	Confident	129 Å²	129	83.1 Å²	83.1	79%	0.791	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.5	-179.9	50	0	0	0	0	113.8
393	E	86.6	Confident	82.8	Confident	114 Å²	114	82 Å²	82	53%	0.533	43%	0.43	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-27.1	-175.8	-66.3	170.1	148.2	0	0	113.6	C391 H411	C391-E393 PolarHBondContact O-N 2.86Å; E393-H411 WeakPolarHBondContact OE2-CB 3.35Å; E393-H411 IonicContact OE2-CD2 2.89Å; E393-H411 PolarHBondContact OE2-CD2 2.74Å; E393-H411 IonicContact OE2-CG 3.94Å; E393-H411 IonicContact OE2-NE2 3.92Å
394	C	88.2	Confident	83.1	Confident	52 Å²	52	79.4 Å²	79.4	35%	0.351	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.7	7.5	-175.9	71.7	0	0	0	0	114.9	C391 K396 H407 H411	C391-C394 PolarHBondContact O-N 3.36Å; C391-C394 VanDerWaalsContact SG-SG 3.61Å; C394-K396 PolarHBondContact O-N 2.99Å; C394-K396 VanDerWaalsContact SG-CG 3.55Å; C394-H407 PolarHBondContact SG-NE2 3.26Å; C394-H411 PolarHBondContact SG-NE2 3.48Å
395	G	85	Confident	83.5	Confident	40 Å²	40	79 Å²	79	41%	0.412	41%	0.412	S	S	.	.			trans	65.8	3.3	179.6	0	0	0	0	0	115	C391 T397	C391-G395 VanDerWaalsContact O-CA 3.28Å; C391-G395 WeakPolarHBondContact O-CA 3.48Å; C391-G395 PolarHBondContact O-N 2.89Å; G395-T397 PolarHBondContact O-N 3.12Å
396	K	85.8	Confident	84.1	Confident	121 Å²	121	79.1 Å²	79.1	53%	0.526	40%	0.401	S	S	.	.			trans	-70	131.2	-179.6	-71.5	179.8	-173.8	172.3	0	110.4	C391 C394 F398	C391-K396 WeakPolarHBondContact CB-O 3.27Å; C391-K396 PolarHBondContact N-O 3.09Å; C394-K396 PolarHBondContact O-N 2.99Å; C394-K396 VanDerWaalsContact SG-CG 3.55Å; K396-F398 HydrophobicContact CB-CE2 3.87Å; K396-F398 HydrophobicContact CB-CZ 4.02Å; K396-F398 VanDerWaalsContact O-CE2 3.31Å; K396-F398 WeakPolarHBondContact O-CE2 3.3Å
397	T	85.5	Confident	84.7	Confident	51 Å²	51	72 Å²	72	31%	0.313	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	144.7	-178.4	59.7	0	0	0	0	112.3	K387 Y389 E390 G395	K387-T397 WeakPolarHBondContact CD-O 3.37Å; Y389-T397 CarbonylContact O-C 3.59Å; Y389-T397 WeakPolarHBondContact O-CA 3.38Å; E390-T397 HydrophobicContact CB-CG2 4.02Å; E390-T397 HydrophobicContact CG-CG2 3.96Å; G395-T397 PolarHBondContact O-N 3.12Å
398	F	84.6	Confident	84.9	Confident	36 Å²	36	70.7 Å²	70.7	16%	0.158	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.3	-174.7	-60.3	-87.5	0	0	0	111.9	Y389 C391 K396 R400 Q403 L404 H407	Y389-F398 WeakPolarHBondContact CB-O 3.34Å; Y389-F398 WeakPolarHBondContact CD2-O 3.45Å; Y389-F398 PolarHBondContact N-O 3.42Å; Y389-F398 PolarHBondContact O-N 3.05Å; C391-F398 HydrophobicContact CB-CE2 4.36Å; K396-F398 HydrophobicContact CB-CE2 3.87Å; K396-F398 HydrophobicContact CB-CZ 4.02Å; K396-F398 VanDerWaalsContact O-CE2 3.31Å; K396-F398 WeakPolarHBondContact O-CE2 3.3Å; F398-R400 VanDerWaalsContact C-N 3.33Å; F398-Q403 HydrophobicContact CB-CB 4.14Å; F398-Q403 HydrophobicContact CD1-CB 3.86Å; F398-Q403 HydrophobicContact CG-CB 4.26Å; F398-L404 HydrophobicContact CB-CB 4.31Å; F398-L404 HydrophobicContact CD2-CB 3.98Å; F398-L404 HydrophobicContact CD2-CD1 3.83Å; F398-L404 HydrophobicContact CE2-CD1 4.08Å; F398-L404 HydrophobicContact CG-CB 4.32Å; F398-H407 HydrophobicContact CE1-CB 3.88Å; F398-H407 HydrophobicContact CE2-CB 3.83Å; F398-H407 AromaticContact CE2-CD2 3.25Å; F398-H407 WeakPolarHBondContact CE2-CD2 3.46Å; F398-H407 AromaticContact CE2-CG 3.62Å; F398-H407 HydrophobicContact CZ-CB 3.38Å; F398-H407 AromaticContact CZ-CD2 3.29Å; F398-H407 WeakPolarHBondContact CZ-CD2 3.38Å; F398-H407 AromaticContact CZ-CG 3.19Å; F398-H407 AromaticContact CZ-ND1 3.92Å; F398-H407 AromaticContact CZ-NE2 4Å
399	P	79.4	Confident	85.3	Confident	26 Å²	26	68.7 Å²	68.7	17%	0.169	35%	0.347	C	S	.	.	S	Bend	trans	-76.9	-16.7	177.3	31	-36.9	0	0	0	113.6	I378 I381 Q403	I378-P399 HydrophobicContact CG2-CB 4.45Å; I381-P399 HydrophobicContact CD1-CB 4.09Å; I381-P399 HydrophobicContact CG2-CB 4.03Å; P399-Q403 VanDerWaalsContact CD-OE1 3.23Å; P399-Q403 VanDerWaalsContact CG-OE1 3.28Å
400	R	79.7	Confident	85.5	Confident	101 Å²	101	68.7 Å²	68.7	38%	0.381	36%	0.357	S	S	.	.	S	Bend	trans	-132.3	139.8	-179.4	-61.6	-177.5	-176.2	-173.6	-1.5	110.7	I378 F398 T402 Q403 L404	I378-R400 HydrophobicContact CD1-CG 4.22Å; I378-R400 HydrophobicContact CG1-CG 4.45Å; F398-R400 VanDerWaalsContact C-N 3.33Å; R400-T402 VanDerWaalsContact C-N 3.26Å; R400-T402 PolarHBondContact O-N 3.2Å; R400-Q403 HydrophobicContact CB-CG 4.18Å; R400-Q403 WeakPolarHBondContact O-CB 3.42Å; R400-Q403 PolarHBondContact O-N 2.84Å; R400-L404 PolarHBondContact O-N 3.2Å
401	K	79.3	Confident	85.4	Confident	131 Å²	131	66.5 Å²	66.5	57%	0.57	35%	0.346	S	S	*	.	H	α-helix	trans	-56.4	-39.3	175.4	-170.5	177.9	179.7	-179.7	0	112.6	Y389 Q403 L404 I405	Y389-K401 HydrophobicContact CD1-CB 3.96Å; Y389-K401 HydrophobicContact CD1-CG 4.32Å; Y389-K401 VanDerWaalsContact CD2-N 3.33Å; Y389-K401 HydrophobicContact CE1-CB 3.71Å; Y389-K401 HydrophobicContact CE1-CG 4.25Å; Y389-K401 HydrophobicContact CE2-CB 4.35Å; Y389-K401 VanDerWaalsContact CE2-N 3.34Å; Y389-K401 HydrophobicContact CG-CB 4.39Å; K401-Q403 VanDerWaalsContact C-N 3.27Å; K401-Q403 PolarHBondContact O-N 3.45Å; K401-L404 WeakPolarHBondContact O-CB 3.21Å; K401-L404 PolarHBondContact O-N 3.46Å; K401-I405 HydrophobicContact CG-CD1 4.16Å; K401-I405 WeakPolarHBondContact O-CG1 3.36Å; K401-I405 PolarHBondContact O-N 2.94Å
402	T	80.4	Confident	85.2	Confident	88 Å²	88	70.1 Å²	70.1	54%	0.54	37%	0.369	S	S	.	.	H	α-helix	trans	-61.8	-34.8	178.4	51.1	0	0	0	0	112.7	R400 I406	R400-T402 VanDerWaalsContact C-N 3.26Å; R400-T402 PolarHBondContact O-N 3.2Å; T402-I406 WeakPolarHBondContact O-CB 3.14Å; T402-I406 WeakPolarHBondContact O-CD1 3.41Å; T402-I406 VanDerWaalsContact O-CG1 3.23Å; T402-I406 WeakPolarHBondContact O-CG1 3.45Å; T402-I406 PolarHBondContact O-N 3.37Å
403	Q	85	Confident	85.1	Confident	76 Å²	76	66.2 Å²	66.2	36%	0.355	35%	0.354	S	S	.	.	H	α-helix	trans	-71.7	-37.2	176.6	-67.5	177.4	-3.4	0	0	111.5	F398 P399 R400 K401 I406 H407	F398-Q403 HydrophobicContact CB-CB 4.14Å; F398-Q403 HydrophobicContact CD1-CB 3.86Å; F398-Q403 HydrophobicContact CG-CB 4.26Å; P399-Q403 VanDerWaalsContact CD-OE1 3.23Å; P399-Q403 VanDerWaalsContact CG-OE1 3.28Å; R400-Q403 HydrophobicContact CB-CG 4.18Å; R400-Q403 WeakPolarHBondContact O-CB 3.42Å; R400-Q403 PolarHBondContact O-N 2.84Å; K401-Q403 VanDerWaalsContact C-N 3.27Å; K401-Q403 PolarHBondContact O-N 3.45Å; Q403-I406 PolarHBondContact O-N 3.42Å; Q403-H407 VanDerWaalsContact O-CB 3.3Å; Q403-H407 WeakPolarHBondContact O-CB 3.38Å; Q403-H407 PolarHBondContact O-N 3.42Å
404	L	87.6	Confident	85	Confident	19 Å²	19	65.6 Å²	65.6	10%	0.099	35%	0.351	C	S	.	.	H	α-helix	trans	-60.9	-48	172	172.9	62.9	0	0	0	111.2	C391 F398 R400 K401 I406 H407 Q408	C391-L404 HydrophobicContact CB-CD1 3.66Å; F398-L404 HydrophobicContact CB-CB 4.31Å; F398-L404 HydrophobicContact CD2-CB 3.98Å; F398-L404 HydrophobicContact CD2-CD1 3.83Å; F398-L404 HydrophobicContact CE2-CD1 4.08Å; F398-L404 HydrophobicContact CG-CB 4.32Å; R400-L404 PolarHBondContact O-N 3.2Å; K401-L404 WeakPolarHBondContact O-CB 3.21Å; K401-L404 PolarHBondContact O-N 3.46Å; L404-I406 VanDerWaalsContact C-N 3.35Å; L404-I406 PolarHBondContact O-N 3.03Å; L404-H407 CarbonylContact O-C 3.5Å; L404-H407 WeakPolarHBondContact O-CA 3.43Å; L404-H407 WeakPolarHBondContact O-CB 3.36Å; L404-H407 PolarHBondContact O-N 3.19Å; L404-H407 VanDerWaalsContact O-N 3.09Å; L404-Q408 HydrophobicContact CD1-CG 4.19Å; L404-Q408 WeakPolarHBondContact O-CG 3.24Å; L404-Q408 PolarHBondContact O-N 2.87Å
405	I	85.4	Confident	85	Confident	68 Å²	68	68.6 Å²	68.6	35%	0.349	36%	0.358	S	S	.	.	H	α-helix	trans	-60	-45.9	178.9	-66.6	166.8	0	0	0	110.9	K401 H407 Q408 R409	K401-I405 HydrophobicContact CG-CD1 4.16Å; K401-I405 WeakPolarHBondContact O-CG1 3.36Å; K401-I405 PolarHBondContact O-N 2.94Å; I405-H407 VanDerWaalsContact C-N 3.25Å; I405-H407 PolarHBondContact O-N 3.4Å; I405-Q408 PolarHBondContact O-N 3.07Å; I405-R409 PolarHBondContact O-N 3.04Å
406	I	86.5	Confident	85.1	Confident	54 Å²	54	69.6 Å²	69.6	28%	0.277	36%	0.358	S	S	.	.	H	α-helix	trans	-61.9	-37.2	176.7	-71.5	167.5	0	0	0	111.1	T402 Q403 L404 R409 Q428	T402-I406 WeakPolarHBondContact O-CB 3.14Å; T402-I406 WeakPolarHBondContact O-CD1 3.41Å; T402-I406 VanDerWaalsContact O-CG1 3.23Å; T402-I406 WeakPolarHBondContact O-CG1 3.45Å; T402-I406 PolarHBondContact O-N 3.37Å; Q403-I406 PolarHBondContact O-N 3.42Å; L404-I406 VanDerWaalsContact C-N 3.35Å; L404-I406 PolarHBondContact O-N 3.03Å; I406-R409 WeakPolarHBondContact O-CB 3.45Å; I406-Q428 HydrophobicContact CG2-CG 3.9Å
407	H	87.9	Confident	85.3	Confident	21 Å²	21	65.5 Å²	65.5	10%	0.097	34%	0.339	C	S	.	.	H	α-helix	trans	-69.4	-40.3	176.2	171.1	55.5	0	0	0	112.4	C394 F398 Q403 L404 I405 R409 T410 H411	C394-H407 PolarHBondContact SG-NE2 3.26Å; F398-H407 HydrophobicContact CE1-CB 3.88Å; F398-H407 HydrophobicContact CE2-CB 3.83Å; F398-H407 AromaticContact CE2-CD2 3.25Å; F398-H407 WeakPolarHBondContact CE2-CD2 3.46Å; F398-H407 AromaticContact CE2-CG 3.62Å; F398-H407 HydrophobicContact CZ-CB 3.38Å; F398-H407 AromaticContact CZ-CD2 3.29Å; F398-H407 WeakPolarHBondContact CZ-CD2 3.38Å; F398-H407 AromaticContact CZ-CG 3.19Å; F398-H407 AromaticContact CZ-ND1 3.92Å; F398-H407 AromaticContact CZ-NE2 4Å; Q403-H407 VanDerWaalsContact O-CB 3.3Å; Q403-H407 WeakPolarHBondContact O-CB 3.38Å; Q403-H407 PolarHBondContact O-N 3.42Å; L404-H407 CarbonylContact O-C 3.5Å; L404-H407 WeakPolarHBondContact O-CA 3.43Å; L404-H407 WeakPolarHBondContact O-CB 3.36Å; L404-H407 PolarHBondContact O-N 3.19Å; L404-H407 VanDerWaalsContact O-N 3.09Å; I405-H407 VanDerWaalsContact C-N 3.25Å; I405-H407 PolarHBondContact O-N 3.4Å; H407-R409 PolarHBondContact O-N 3.47Å; H407-R409 VanDerWaalsContact O-N 3.16Å; H407-T410 PolarHBondContact ND1-OG1 3.16Å; H407-T410 WeakPolarHBondContact O-CB 3.32Å; H407-T410 WeakPolarHBondContact O-CG2 3.45Å; H407-T410 PolarHBondContact O-N 2.97Å; H407-T410 PolarHBondContact O-OG1 3.26Å; H407-H411 AromaticContact CD2-NE2 3.97Å; H407-H411 AromaticContact CE1-CE1 3.92Å; H407-H411 AromaticContact CE1-NE2 3.34Å; H407-H411 PolarHBondContact CE1-NE2 3.25Å; H407-H411 VanDerWaalsContact CE1-NE2 3.34Å; H407-H411 AromaticContact NE2-CD2 3.92Å; H407-H411 AromaticContact NE2-CE1 3.98Å; H407-H411 AromaticContact NE2-NE2 3.08Å; H407-H411 PolarHBondContact NE2-NE2 3.37Å
408	Q	86.7	Confident	85.4	Confident	66 Å²	66	69.9 Å²	69.9	31%	0.308	35%	0.354	S	S	.	.	H	α-helix	trans	-57.4	-31.7	177.4	-76.5	172.9	-38.3	0	0	112.3	L404 I405 T410 H411 T412	L404-Q408 HydrophobicContact CD1-CG 4.19Å; L404-Q408 WeakPolarHBondContact O-CG 3.24Å; L404-Q408 PolarHBondContact O-N 2.87Å; I405-Q408 PolarHBondContact O-N 3.07Å; Q408-T410 PolarHBondContact O-N 2.91Å; Q408-T410 VanDerWaalsContact O-N 3.08Å; Q408-H411 PolarHBondContact O-N 2.84Å; Q408-T412 PolarHBondContact O-N 3.11Å; Q408-T412 VanDerWaalsContact O-N 3.12Å
409	R	88.9	Confident	85.7	Confident	37 Å²	37	68.2 Å²	68.2	14%	0.14	35%	0.347	C	S	.	.	H	α-helix	trans	-59.4	-19.1	171.8	-62.9	178	-178.5	169.7	0.5	114.2	I405 I406 H407 H411 G413 E414 C427	I405-R409 PolarHBondContact O-N 3.04Å; I406-R409 WeakPolarHBondContact O-CB 3.45Å; H407-R409 PolarHBondContact O-N 3.47Å; H407-R409 VanDerWaalsContact O-N 3.16Å; R409-H411 VanDerWaalsContact C-N 3.33Å; R409-G413 WeakPolarHBondContact O-CA 3.44Å; R409-G413 PolarHBondContact O-N 2.95Å; R409-G413 VanDerWaalsContact O-N 3.09Å; R409-E414 HydrophobicContact CB-CB 4.46Å; R409-E414 HydrophobicContact CG-CB 4.26Å; R409-E414 PolarHBondContact O-N 3.47Å; R409-C427 HydrophobicContact CB-CB 4.32Å; R409-C427 PolarHBondContact NH1-O 3.13Å
410	T	87.6	Confident	86.2	Confident	91 Å²	91	70.8 Å²	70.8	56%	0.558	38%	0.378	S	S	*	.	H	α-helix	trans	-75.7	-24.5	174.3	69	0	0	0	0	112.7	H407 Q408	H407-T410 PolarHBondContact ND1-OG1 3.16Å; H407-T410 WeakPolarHBondContact O-CB 3.32Å; H407-T410 WeakPolarHBondContact O-CG2 3.45Å; H407-T410 PolarHBondContact O-N 2.97Å; H407-T410 PolarHBondContact O-OG1 3.26Å; Q408-T410 PolarHBondContact O-N 2.91Å; Q408-T410 VanDerWaalsContact O-N 3.08Å
411	H	85.6	Confident	86.5	Confident	75 Å²	75	72 Å²	72	35%	0.347	39%	0.388	S	S	.	.	H	α-helix	trans	-89.1	-44.8	177.2	-58.3	-58	0	0	0	111.3	C391 E393 C394 H407 Q408 R409 G413	C391-H411 PolarHBondContact SG-NE2 2.82Å; C391-H411 VanDerWaalsContact SG-NE2 3.43Å; E393-H411 WeakPolarHBondContact OE2-CB 3.35Å; E393-H411 IonicContact OE2-CD2 2.89Å; E393-H411 PolarHBondContact OE2-CD2 2.74Å; E393-H411 IonicContact OE2-CG 3.94Å; E393-H411 IonicContact OE2-NE2 3.92Å; C394-H411 PolarHBondContact SG-NE2 3.48Å; H407-H411 AromaticContact CD2-NE2 3.97Å; H407-H411 AromaticContact CE1-CE1 3.92Å; H407-H411 AromaticContact CE1-NE2 3.34Å; H407-H411 PolarHBondContact CE1-NE2 3.25Å; H407-H411 VanDerWaalsContact CE1-NE2 3.34Å; H407-H411 AromaticContact NE2-CD2 3.92Å; H407-H411 AromaticContact NE2-CE1 3.98Å; H407-H411 AromaticContact NE2-NE2 3.08Å; H407-H411 PolarHBondContact NE2-NE2 3.37Å; Q408-H411 PolarHBondContact O-N 2.84Å; R409-H411 VanDerWaalsContact C-N 3.33Å; H411-G413 PolarHBondContact O-N 2.94Å
412	T	85.8	Confident	86.9	Confident	77 Å²	77	68.2 Å²	68.2	47%	0.472	38%	0.377	S	S	.	.	H	α-helix	trans	-76.1	-14.2	178.7	64.8	0	0	0	0	113.4	Q408 E414	Q408-T412 PolarHBondContact O-N 3.11Å; Q408-T412 VanDerWaalsContact O-N 3.12Å; T412-E414 PolarHBondContact O-N 2.98Å; T412-E414 WeakPolarHBondContact OG1-CG 3.42Å; T412-E414 PolarHBondContact OG1-N 3.47Å
413	G	85	Confident	87.2	Confident	47 Å²	47	65.7 Å²	65.7	49%	0.485	37%	0.369	S	S	.	.			trans	71.1	4.5	-175.8	0	0	0	0	0	114.3	R409 H411 K415	R409-G413 WeakPolarHBondContact O-CA 3.44Å; R409-G413 PolarHBondContact O-N 2.95Å; R409-G413 VanDerWaalsContact O-N 3.09Å; H411-G413 PolarHBondContact O-N 2.94Å; G413-K415 PolarHBondContact O-N 3.43Å
414	E	84.8	Confident	87.4	Confident	100 Å²	100	68.1 Å²	68.1	47%	0.467	38%	0.378	S	S	.	.			trans	-59.3	122.7	-179.2	-76.5	-179.8	-175.6	0	0	111.9	R409 T412	R409-E414 HydrophobicContact CB-CB 4.46Å; R409-E414 HydrophobicContact CG-CB 4.26Å; R409-E414 PolarHBondContact O-N 3.47Å; T412-E414 PolarHBondContact O-N 2.98Å; T412-E414 WeakPolarHBondContact OG1-CG 3.42Å; T412-E414 PolarHBondContact OG1-N 3.47Å
415	K	88.9	Confident	87.5	Confident	115 Å²	115	70 Å²	70	50%	0.5	39%	0.39	S	S	.	.			trans	-127.8	78.2	177.9	-69.7	170.1	-178.6	178.6	0	110.1	G413 Y417 T425 F426	G413-K415 PolarHBondContact O-N 3.43Å; K415-Y417 PolarHBondContact O-N 3.21Å; K415-Y417 VanDerWaalsContact O-N 3.09Å; K415-T425 WeakPolarHBondContact CB-OG1 3.41Å; K415-T425 VanDerWaalsContact CD-OG1 3.29Å; K415-T425 WeakPolarHBondContact CD-OG1 3.44Å; K415-F426 CarbonylContact C-O 3.32Å; K415-F426 VanDerWaalsContact C-O 3.26Å; K415-F426 VanDerWaalsContact CA-O 3.32Å; K415-F426 WeakPolarHBondContact CA-O 3.48Å
416	P	86.3	Confident	87.6	Confident	61 Å²	61	68.7 Å²	68.7	40%	0.396	38%	0.382	S	S	.	.			trans	-64.7	-18.1	-171.2	-22.5	34.3	0	0	0	114.4
417	Y	89.6	Confident	87.6	Confident	35 Å²	35	67.6 Å²	67.6	14%	0.137	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	100.9	-172.5	-55.1	-76.9	0	0	0	110.2	K415 T425 F426 Q429	K415-Y417 PolarHBondContact O-N 3.21Å; K415-Y417 VanDerWaalsContact O-N 3.09Å; Y417-T425 CarbonylContact O-C 3.53Å; Y417-T425 WeakPolarHBondContact O-CA 3.21Å; Y417-F426 WeakPolarHBondContact CD2-O 3.36Å; Y417-F426 PolarHBondContact N-O 3.09Å; Y417-F426 VanDerWaalsContact N-O 3.15Å; Y417-F426 PolarHBondContact O-N 3.37Å; Y417-Q429 HydrophobicContact CD1-CB 3.87Å; Y417-Q429 HydrophobicContact CD1-CG 4.2Å; Y417-Q429 HydrophobicContact CE1-CB 3.66Å; Y417-Q429 HydrophobicContact CE1-CG 4.17Å; Y417-Q429 HydrophobicContact CE2-CB 4.34Å; Y417-Q429 HydrophobicContact CG-CB 4.29Å
418	K	88.3	Confident	87.5	Confident	143 Å²	143	69.2 Å²	69.2	62%	0.622	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	136.3	179	-172.5	174	178.7	-177.6	0	111.4	T425	K418-T425 HydrophobicContact CB-CG2 4.02Å; K418-T425 HydrophobicContact CD-CG2 4.46Å; K418-T425 HydrophobicContact CG-CG2 3.94Å
419	C	91.8	Very high	87.4	Confident	1 Å²	1	70 Å²	70	1%	0.007	39%	0.391	C	S	.	.			trans	-76.7	124.7	168.6	-173.8	0	0	0	0	109.5	E421 G423 K424 F426 L432	C419-E421 VanDerWaalsContact C-N 3.26Å; C419-E421 PolarHBondContact O-N 3.25Å; C419-G423 WeakPolarHBondContact O-CA 3.44Å; C419-G423 PolarHBondContact O-N 2.68Å; C419-K424 WeakPolarHBondContact CB-O 3.49Å; C419-K424 PolarHBondContact N-O 2.53Å; C419-F426 HydrophobicContact CB-CE2 4.37Å; C419-L432 HydrophobicContact CB-CD1 3.68Å
420	G	88.3	Confident	87.1	Confident	81 Å²	81	71.5 Å²	71.5	84%	0.835	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-28.9	178.2	0	0	0	0	0	113.4
421	E	86.8	Confident	87.2	Confident	127 Å²	127	71.6 Å²	71.6	59%	0.593	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-42.7	-172.4	-63.3	-176.2	-138.1	0	0	114.2	C419 H439	C419-E421 VanDerWaalsContact C-N 3.26Å; C419-E421 PolarHBondContact O-N 3.25Å; E421-H439 WeakPolarHBondContact OE2-CB 3.49Å; E421-H439 IonicContact OE2-CD2 3.14Å; E421-H439 IonicContact OE2-CG 3.36Å; E421-H439 IonicContact OE2-ND1 3.3Å; E421-H439 PolarHBondContact OE2-ND1 3.32Å
422	C	88.8	Confident	87.3	Confident	50 Å²	50	68.9 Å²	68.9	34%	0.338	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.8	6.3	-178.7	67.5	0	0	0	0	114.2	K424 H435 H439	C422-K424 PolarHBondContact O-N 3.12Å; C422-K424 VanDerWaalsContact SG-CG 3.57Å; C422-H435 PolarHBondContact SG-NE2 3.42Å; C422-H439 PolarHBondContact SG-NE2 3.28Å
423	G	86.2	Confident	87.3	Confident	35 Å²	35	68.8 Å²	68.8	36%	0.361	39%	0.385	S	S	.	.			trans	67.8	-3.8	179.6	0	0	0	0	0	115.5	C419	C419-G423 WeakPolarHBondContact O-CA 3.44Å; C419-G423 PolarHBondContact O-N 2.68Å
424	K	89.1	Confident	87.5	Confident	127 Å²	127	67.1 Å²	67.1	55%	0.552	37%	0.367	S	S	*	.			trans	-63.5	137	-179.3	-71.3	180	-175.9	173.7	0	111.3	C419 C422 F426	C419-K424 WeakPolarHBondContact CB-O 3.49Å; C419-K424 PolarHBondContact N-O 2.53Å; C422-K424 PolarHBondContact O-N 3.12Å; C422-K424 VanDerWaalsContact SG-CG 3.57Å; K424-F426 HydrophobicContact CB-CE2 4.04Å; K424-F426 HydrophobicContact CB-CZ 4.13Å; K424-F426 WeakPolarHBondContact O-CE2 3.41Å
425	T	89.4	Confident	87.7	Confident	58 Å²	58	63.2 Å²	63.2	36%	0.356	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	146.8	-177.2	59.3	0	0	0	0	111.9	K415 Y417 K418	K415-T425 WeakPolarHBondContact CB-OG1 3.41Å; K415-T425 VanDerWaalsContact CD-OG1 3.29Å; K415-T425 WeakPolarHBondContact CD-OG1 3.44Å; Y417-T425 CarbonylContact O-C 3.53Å; Y417-T425 WeakPolarHBondContact O-CA 3.21Å; K418-T425 HydrophobicContact CB-CG2 4.02Å; K418-T425 HydrophobicContact CD-CG2 4.46Å; K418-T425 HydrophobicContact CG-CG2 3.94Å
426	F	88.2	Confident	87.6	Confident	41 Å²	41	61.2 Å²	61.2	18%	0.18	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.7	-177	-58.1	-88.4	0	0	0	111.1	K415 Y417 C419 K424 Q428 H431 L432 H435	K415-F426 CarbonylContact C-O 3.32Å; K415-F426 VanDerWaalsContact C-O 3.26Å; K415-F426 VanDerWaalsContact CA-O 3.32Å; K415-F426 WeakPolarHBondContact CA-O 3.48Å; Y417-F426 WeakPolarHBondContact CD2-O 3.36Å; Y417-F426 PolarHBondContact N-O 3.09Å; Y417-F426 VanDerWaalsContact N-O 3.15Å; Y417-F426 PolarHBondContact O-N 3.37Å; C419-F426 HydrophobicContact CB-CE2 4.37Å; K424-F426 HydrophobicContact CB-CE2 4.04Å; K424-F426 HydrophobicContact CB-CZ 4.13Å; K424-F426 WeakPolarHBondContact O-CE2 3.41Å; F426-Q428 VanDerWaalsContact C-N 3.33Å; F426-H431 HydrophobicContact CB-CB 4.22Å; F426-H431 HydrophobicContact CD1-CB 3.92Å; F426-H431 HydrophobicContact CG-CB 4.32Å; F426-L432 HydrophobicContact CB-CB 4.37Å; F426-L432 HydrophobicContact CD2-CB 3.88Å; F426-L432 HydrophobicContact CD2-CD1 3.78Å; F426-L432 HydrophobicContact CD2-CG 4.43Å; F426-L432 HydrophobicContact CE2-CD1 3.9Å; F426-L432 HydrophobicContact CG-CB 4.28Å; F426-H435 HydrophobicContact CE1-CB 3.89Å; F426-H435 HydrophobicContact CE2-CB 3.92Å; F426-H435 AromaticContact CE2-CD2 3.37Å; F426-H435 WeakPolarHBondContact CE2-CD2 3.38Å; F426-H435 AromaticContact CE2-CG 3.66Å; F426-H435 HydrophobicContact CZ-CB 3.41Å; F426-H435 VanDerWaalsContact CZ-CB 3.41Å; F426-H435 AromaticContact CZ-CD2 3.36Å; F426-H435 WeakPolarHBondContact CZ-CD2 3.37Å; F426-H435 AromaticContact CZ-CG 3.17Å; F426-H435 AromaticContact CZ-ND1 3.69Å; F426-H435 AromaticContact CZ-NE2 3.93Å
427	C	85.9	Confident	87.8	Confident	31 Å²	31	60.9 Å²	60.9	21%	0.209	33%	0.332	C	S	.	.	S	Bend	trans	-79.6	-14.3	177.3	61.2	0	0	0	0	113.5	R409	R409-C427 HydrophobicContact CB-CB 4.32Å; R409-C427 PolarHBondContact NH1-O 3.13Å
428	Q	85.8	Confident	87.7	Confident	55 Å²	55	64.9 Å²	64.9	26%	0.257	36%	0.355	S	S	.	.	S	Bend	trans	-137	142.7	179.9	-62.4	179.2	31.2	0	0	110.8	I406 F426 S430 H431 L432	I406-Q428 HydrophobicContact CG2-CG 3.9Å; F426-Q428 VanDerWaalsContact C-N 3.33Å; Q428-S430 PolarHBondContact O-N 3.43Å; Q428-S430 PolarHBondContact OE1-OG 3.05Å; Q428-H431 PolarHBondContact O-N 3.39Å; Q428-L432 PolarHBondContact O-N 3.16Å
429	Q	84.6	Confident	87.7	Confident	83 Å²	83	61.3 Å²	61.3	39%	0.388	34%	0.34	S	S	.	.	H	α-helix	trans	-64.2	-37.9	178.6	-170.1	178.2	4.4	0	0	112.7	Y417 H431 L432 I433	Y417-Q429 HydrophobicContact CD1-CB 3.87Å; Y417-Q429 HydrophobicContact CD1-CG 4.2Å; Y417-Q429 HydrophobicContact CE1-CB 3.66Å; Y417-Q429 HydrophobicContact CE1-CG 4.17Å; Y417-Q429 HydrophobicContact CE2-CB 4.34Å; Y417-Q429 HydrophobicContact CG-CB 4.29Å; Q429-H431 PolarHBondContact O-N 3.44Å; Q429-L432 WeakPolarHBondContact O-CB 2.95Å; Q429-L432 PolarHBondContact O-N 3.24Å; Q429-L432 VanDerWaalsContact O-N 3.11Å; Q429-I433 HydrophobicContact CG-CD1 4.13Å; Q429-I433 WeakPolarHBondContact O-CG1 3.2Å; Q429-I433 PolarHBondContact O-N 2.99Å
430	S	83.4	Confident	87.4	Confident	69 Å²	69	65 Å²	65	48%	0.483	36%	0.363	S	S	.	.	H	α-helix	trans	-58.5	-36.4	176.3	52.1	0	0	0	0	112.3	Q428 G434	Q428-S430 PolarHBondContact O-N 3.43Å; Q428-S430 PolarHBondContact OE1-OG 3.05Å; S430-G434 PolarHBondContact O-N 3.04Å
431	H	88.1	Confident	87.4	Confident	92 Å²	92	63.3 Å²	63.3	43%	0.426	35%	0.346	S	S	.	.	H	α-helix	trans	-70.9	-38.9	176	-62.6	166	0	0	0	111.7	F426 Q428 Q429 G434 H435	F426-H431 HydrophobicContact CB-CB 4.22Å; F426-H431 HydrophobicContact CD1-CB 3.92Å; F426-H431 HydrophobicContact CG-CB 4.32Å; Q428-H431 PolarHBondContact O-N 3.39Å; Q429-H431 PolarHBondContact O-N 3.44Å; H431-G434 PolarHBondContact O-N 3.39Å; H431-H435 VanDerWaalsContact O-CB 3.25Å; H431-H435 WeakPolarHBondContact O-CB 3.46Å; H431-H435 PolarHBondContact O-N 3.26Å
432	L	89.3	Confident	87.4	Confident	18 Å²	18	62.6 Å²	62.6	9%	0.094	34%	0.342	C	S	.	.	H	α-helix	trans	-61.3	-48.9	172.9	172.6	61.5	0	0	0	111.2	C419 F426 Q428 Q429 G434 H435 Q436	C419-L432 HydrophobicContact CB-CD1 3.68Å; F426-L432 HydrophobicContact CB-CB 4.37Å; F426-L432 HydrophobicContact CD2-CB 3.88Å; F426-L432 HydrophobicContact CD2-CD1 3.78Å; F426-L432 HydrophobicContact CD2-CG 4.43Å; F426-L432 HydrophobicContact CE2-CD1 3.9Å; F426-L432 HydrophobicContact CG-CB 4.28Å; Q428-L432 PolarHBondContact O-N 3.16Å; Q429-L432 WeakPolarHBondContact O-CB 2.95Å; Q429-L432 PolarHBondContact O-N 3.24Å; Q429-L432 VanDerWaalsContact O-N 3.11Å; L432-G434 VanDerWaalsContact C-N 3.32Å; L432-G434 PolarHBondContact O-N 3.41Å; L432-H435 CarbonylContact O-C 3.52Å; L432-H435 WeakPolarHBondContact O-CA 3.48Å; L432-H435 WeakPolarHBondContact O-CB 3.34Å; L432-H435 PolarHBondContact O-N 3.41Å; L432-Q436 HydrophobicContact CD1-CG 4.16Å; L432-Q436 HydrophobicContact CG-CG 4.49Å; L432-Q436 WeakPolarHBondContact O-CG 3.34Å; L432-Q436 PolarHBondContact O-N 3.38Å
433	I	86.1	Confident	87.5	Confident	76 Å²	76	66 Å²	66	39%	0.39	35%	0.351	S	S	.	.	H	α-helix	trans	-59.9	-44.5	178.1	-66.1	167.6	0	0	0	110.6	Q429 H435 Q436	Q429-I433 HydrophobicContact CG-CD1 4.13Å; Q429-I433 WeakPolarHBondContact O-CG1 3.2Å; Q429-I433 PolarHBondContact O-N 2.99Å; I433-H435 VanDerWaalsContact C-N 3.26Å; I433-H435 PolarHBondContact O-N 3.02Å; I433-Q436 PolarHBondContact O-N 3.46Å
434	G	87.2	Confident	87.6	Confident	12 Å²	12	67.8 Å²	67.8	12%	0.124	36%	0.356	C	S	.	.	H	α-helix	trans	-63.3	-32.7	175.9	0	0	0	0	0	113.1	S430 H431 L432	S430-G434 PolarHBondContact O-N 3.04Å; H431-G434 PolarHBondContact O-N 3.39Å; L432-G434 VanDerWaalsContact C-N 3.32Å; L432-G434 PolarHBondContact O-N 3.41Å
435	H	89.4	Confident	87.7	Confident	18 Å²	18	65.2 Å²	65.2	8%	0.083	34%	0.344	C	S	.	.	H	α-helix	trans	-74.1	-39.6	175.8	167.6	70	0	0	0	112.8	C422 F426 H431 L432 I433 R437 I438 H439	C422-H435 PolarHBondContact SG-NE2 3.42Å; F426-H435 HydrophobicContact CE1-CB 3.89Å; F426-H435 HydrophobicContact CE2-CB 3.92Å; F426-H435 AromaticContact CE2-CD2 3.37Å; F426-H435 WeakPolarHBondContact CE2-CD2 3.38Å; F426-H435 AromaticContact CE2-CG 3.66Å; F426-H435 HydrophobicContact CZ-CB 3.41Å; F426-H435 VanDerWaalsContact CZ-CB 3.41Å; F426-H435 AromaticContact CZ-CD2 3.36Å; F426-H435 WeakPolarHBondContact CZ-CD2 3.37Å; F426-H435 AromaticContact CZ-CG 3.17Å; F426-H435 AromaticContact CZ-ND1 3.69Å; F426-H435 AromaticContact CZ-NE2 3.93Å; H431-H435 VanDerWaalsContact O-CB 3.25Å; H431-H435 WeakPolarHBondContact O-CB 3.46Å; H431-H435 PolarHBondContact O-N 3.26Å; L432-H435 CarbonylContact O-C 3.52Å; L432-H435 WeakPolarHBondContact O-CA 3.48Å; L432-H435 WeakPolarHBondContact O-CB 3.34Å; L432-H435 PolarHBondContact O-N 3.41Å; I433-H435 VanDerWaalsContact C-N 3.26Å; I433-H435 PolarHBondContact O-N 3.02Å; H435-R437 PolarHBondContact O-N 2.96Å; H435-R437 VanDerWaalsContact O-N 3.12Å; H435-I438 VanDerWaalsContact O-CB 3.23Å; H435-I438 WeakPolarHBondContact O-CB 3.48Å; H435-I438 WeakPolarHBondContact O-CG1 3.4Å; H435-I438 PolarHBondContact O-N 3.34Å; H435-H439 AromaticContact CE1-NE2 3.67Å; H435-H439 AromaticContact NE2-CD2 3.89Å; H435-H439 AromaticContact NE2-NE2 3.3Å; H435-H439 PolarHBondContact NE2-NE2 3.03Å
436	Q	87.8	Confident	87.8	Confident	73 Å²	73	66.4 Å²	66.4	34%	0.341	35%	0.351	S	S	.	.	H	α-helix	trans	-55.8	-29.9	176.9	-77.1	173.6	-38.6	0	0	112.3	L432 I433 I438 H439 T440	L432-Q436 HydrophobicContact CD1-CG 4.16Å; L432-Q436 HydrophobicContact CG-CG 4.49Å; L432-Q436 WeakPolarHBondContact O-CG 3.34Å; L432-Q436 PolarHBondContact O-N 3.38Å; I433-Q436 PolarHBondContact O-N 3.46Å; Q436-I438 PolarHBondContact O-N 2.85Å; Q436-I438 VanDerWaalsContact O-N 3.12Å; Q436-H439 WeakPolarHBondContact O-CB 3.43Å; Q436-H439 PolarHBondContact O-N 3.38Å; Q436-T440 PolarHBondContact O-N 3.46Å; Q436-T440 VanDerWaalsContact O-N 3.1Å
437	R	90.1	Very high	88	Confident	53 Å²	53	64.5 Å²	64.5	20%	0.2	34%	0.343	C	S	.	.	H	α-helix	trans	-61.4	-18.5	173.5	-63.7	178.8	-175.7	168.4	1.4	114.7	H435 H439 T440 G441 E442 S455	H435-R437 PolarHBondContact O-N 2.96Å; H435-R437 VanDerWaalsContact O-N 3.12Å; R437-H439 VanDerWaalsContact C-N 3.32Å; R437-T440 WeakPolarHBondContact CA-OG1 3.12Å; R437-G441 WeakPolarHBondContact O-CA 3.32Å; R437-G441 PolarHBondContact O-N 3.44Å; R437-G441 VanDerWaalsContact O-N 3.08Å; R437-E442 HydrophobicContact CG-CB 4.37Å; R437-E442 PolarHBondContact O-N 3.11Å; R437-S455 WeakPolarHBondContact CD-O 3.19Å; R437-S455 PolarHBondContact NH1-O 3.22Å
438	I	88.1	Confident	88.2	Confident	120 Å²	120	68.8 Å²	68.8	62%	0.615	37%	0.368	S	S	*	.	H	α-helix	trans	-71.7	-35.3	173.8	-60.1	174.5	0	0	0	110	H435 Q436	H435-I438 VanDerWaalsContact O-CB 3.23Å; H435-I438 WeakPolarHBondContact O-CB 3.48Å; H435-I438 WeakPolarHBondContact O-CG1 3.4Å; H435-I438 PolarHBondContact O-N 3.34Å; Q436-I438 PolarHBondContact O-N 2.85Å; Q436-I438 VanDerWaalsContact O-N 3.12Å
439	H	87.1	Confident	88.3	Confident	68 Å²	68	70.9 Å²	70.9	32%	0.315	38%	0.381	S	S	.	.	H	α-helix	trans	-78.1	-48	179.2	-67.6	-65.5	0	0	0	112.2	E421 C422 H435 Q436 R437 G441	E421-H439 WeakPolarHBondContact OE2-CB 3.49Å; E421-H439 IonicContact OE2-CD2 3.14Å; E421-H439 IonicContact OE2-CG 3.36Å; E421-H439 IonicContact OE2-ND1 3.3Å; E421-H439 PolarHBondContact OE2-ND1 3.32Å; C422-H439 PolarHBondContact SG-NE2 3.28Å; H435-H439 AromaticContact CE1-NE2 3.67Å; H435-H439 AromaticContact NE2-CD2 3.89Å; H435-H439 AromaticContact NE2-NE2 3.3Å; H435-H439 PolarHBondContact NE2-NE2 3.03Å; Q436-H439 WeakPolarHBondContact O-CB 3.43Å; Q436-H439 PolarHBondContact O-N 3.38Å; R437-H439 VanDerWaalsContact C-N 3.32Å; H439-G441 PolarHBondContact O-N 2.83Å
440	T	87	Confident	88.5	Confident	78 Å²	78	69.5 Å²	69.5	48%	0.479	38%	0.379	S	S	.	.	H	α-helix	trans	-74.1	-16	179.6	64.1	0	0	0	0	113	Q436 R437 E442	Q436-T440 PolarHBondContact O-N 3.46Å; Q436-T440 VanDerWaalsContact O-N 3.1Å; R437-T440 WeakPolarHBondContact CA-OG1 3.12Å; T440-E442 PolarHBondContact O-N 3.24Å; T440-E442 WeakPolarHBondContact OG1-CG 3.43Å; T440-E442 PolarHBondContact OG1-N 3.02Å
441	G	86.8	Confident	88.7	Confident	46 Å²	46	68.7 Å²	68.7	47%	0.474	38%	0.383	S	S	.	.			trans	70.2	4.6	-174.2	0	0	0	0	0	114.1	R437 H439 K443	R437-G441 WeakPolarHBondContact O-CA 3.32Å; R437-G441 PolarHBondContact O-N 3.44Å; R437-G441 VanDerWaalsContact O-N 3.08Å; H439-G441 PolarHBondContact O-N 2.83Å; G441-K443 PolarHBondContact O-N 3.16Å
442	E	88.3	Confident	88.8	Confident	112 Å²	112	70.5 Å²	70.5	52%	0.523	39%	0.389	S	S	.	.			trans	-59.8	127.4	-178.9	-77.6	-177.7	-178.5	0	0	111.9	R437 T440 P444	R437-E442 HydrophobicContact CG-CB 4.37Å; R437-E442 PolarHBondContact O-N 3.11Å; T440-E442 PolarHBondContact O-N 3.24Å; T440-E442 WeakPolarHBondContact OG1-CG 3.43Å; T440-E442 PolarHBondContact OG1-N 3.02Å; E442-P444 WeakPolarHBondContact O-CD 3.45Å
443	K	90.3	Very high	88.9	Confident	122 Å²	122	71.4 Å²	71.4	53%	0.53	40%	0.399	S	S	.	.			trans	-126.7	76.1	177.6	-69.6	170	179.1	-177.2	0	110.7	G441 Y445 A453 F454	G441-K443 PolarHBondContact O-N 3.16Å; K443-Y445 PolarHBondContact O-N 2.89Å; K443-Y445 VanDerWaalsContact O-N 3.09Å; K443-A453 HydrophobicContact CB-CB 3.52Å; K443-A453 HydrophobicContact CD-CB 4.12Å; K443-A453 WeakPolarHBondContact CD-O 3.49Å; K443-A453 HydrophobicContact CG-CB 4.44Å; K443-F454 CarbonylContact C-O 3.58Å; K443-F454 VanDerWaalsContact C-O 3.29Å; K443-F454 WeakPolarHBondContact CA-O 3.46Å
444	P	88.8	Confident	89	Confident	71 Å²	71	69.8 Å²	69.8	46%	0.461	39%	0.389	S	S	.	.			trans	-67	-14.4	-172	-20.9	33.8	0	0	0	114.6	E442	E442-P444 WeakPolarHBondContact O-CD 3.45Å
445	Y	91.3	Very high	89	Confident	74 Å²	74	70.5 Å²	70.5	29%	0.29	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	97.5	-173.1	-54.2	-72.6	0	0	0	110.3	K443 A453 F454 K457	K443-Y445 PolarHBondContact O-N 2.89Å; K443-Y445 VanDerWaalsContact O-N 3.09Å; Y445-A453 CarbonylContact O-C 3.59Å; Y445-A453 WeakPolarHBondContact O-CA 3.45Å; Y445-F454 WeakPolarHBondContact CD2-O 3.39Å; Y445-F454 PolarHBondContact N-O 3.13Å; Y445-F454 VanDerWaalsContact N-O 3.13Å; Y445-F454 PolarHBondContact O-N 3.15Å; Y445-K457 HydrophobicContact CD1-CB 3.99Å; Y445-K457 HydrophobicContact CD1-CG 4.38Å; Y445-K457 HydrophobicContact CD2-CB 4.43Å; Y445-K457 VanDerWaalsContact CD2-N 3.32Å; Y445-K457 HydrophobicContact CE1-CB 3.84Å; Y445-K457 HydrophobicContact CE1-CG 4.41Å; Y445-K457 HydrophobicContact CE2-CB 4.26Å; Y445-K457 HydrophobicContact CG-CB 4.28Å
446	V	90.6	Very high	88.9	Confident	83 Å²	83	73.2 Å²	73.2	50%	0.503	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	134.4	-179.2	-173.5	0	0	0	0	110.4	A453	V446-A453 HydrophobicContact CG2-CB 4.05Å
447	C	92.3	Very high	88.8	Confident	1 Å²	1	76.3 Å²	76.3	1%	0.007	42%	0.418	C	S	.	.			trans	-76.7	123	169.8	-179.3	0	0	0	0	109.7	D449 C450 G451 K452 F454 L460 H467	C447-D449 VanDerWaalsContact C-N 3.26Å; C447-D449 PolarHBondContact O-N 3.26Å; C447-C450 VanDerWaalsContact SG-SG 3.65Å; C447-G451 WeakPolarHBondContact O-CA 3.45Å; C447-G451 PolarHBondContact O-N 2.85Å; C447-K452 WeakPolarHBondContact CB-O 3.3Å; C447-K452 PolarHBondContact N-O 3.42Å; C447-F454 HydrophobicContact CB-CE2 4.37Å; C447-L460 HydrophobicContact CB-CD1 3.56Å; C447-H467 PolarHBondContact SG-NE2 2.77Å; C447-H467 VanDerWaalsContact SG-NE2 3.38Å
448	T	90.3	Very high	88.6	Confident	120 Å²	120	77.3 Å²	77.3	74%	0.736	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-30.8	177.9	47.2	0	0	0	0	112.8
449	D	87.6	Confident	88.6	Confident	99 Å²	99	76.2 Å²	76.2	53%	0.529	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-26.6	-169.3	-44.1	-32.7	0	0	0	112.8	C447 H467	C447-D449 VanDerWaalsContact C-N 3.26Å; C447-D449 PolarHBondContact O-N 3.26Å; D449-H467 IonicContact OD2-CD2 3.84Å; D449-H467 PolarHBondContact OD2-CD2 3.48Å; D449-H467 IonicContact OD2-CG 3.07Å
450	C	89.6	Confident	88.7	Confident	54 Å²	54	73.9 Å²	73.9	37%	0.365	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.4	5.3	-177	73.2	0	0	0	0	114.6	C447 K452 H463 H467	C447-C450 VanDerWaalsContact SG-SG 3.65Å; C450-K452 PolarHBondContact O-N 2.99Å; C450-H463 PolarHBondContact SG-NE2 3.47Å; C450-H467 PolarHBondContact SG-NE2 3.15Å; C450-H467 VanDerWaalsContact SG-NE2 3.37Å
451	G	87.5	Confident	88.7	Confident	53 Å²	53	72.9 Å²	72.9	55%	0.546	41%	0.408	S	S	.	.			trans	68.2	-2	-179.4	0	0	0	0	0	115.4	C447 A453	C447-G451 WeakPolarHBondContact O-CA 3.45Å; C447-G451 PolarHBondContact O-N 2.85Å; G451-A453 PolarHBondContact O-N 3.34Å
452	K	90.2	Very high	88.7	Confident	130 Å²	130	71.3 Å²	71.3	57%	0.565	39%	0.392	S	S	*	.			trans	-67.7	128.7	-179.3	-75.1	-176.4	178.4	177.6	0	111.3	C447 C450 F454	C447-K452 WeakPolarHBondContact CB-O 3.3Å; C447-K452 PolarHBondContact N-O 3.42Å; C450-K452 PolarHBondContact O-N 2.99Å; K452-F454 HydrophobicContact CB-CE2 3.97Å; K452-F454 HydrophobicContact CB-CZ 4.16Å; K452-F454 WeakPolarHBondContact O-CE2 3.47Å
453	A	90.9	Very high	88.7	Confident	36 Å²	36	67.1 Å²	67.1	30%	0.298	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	144.8	179.8	0	0	0	0	0	112.4	K443 Y445 V446 G451	K443-A453 HydrophobicContact CB-CB 3.52Å; K443-A453 HydrophobicContact CD-CB 4.12Å; K443-A453 WeakPolarHBondContact CD-O 3.49Å; K443-A453 HydrophobicContact CG-CB 4.44Å; Y445-A453 CarbonylContact O-C 3.59Å; Y445-A453 WeakPolarHBondContact O-CA 3.45Å; V446-A453 HydrophobicContact CG2-CB 4.05Å; G451-A453 PolarHBondContact O-N 3.34Å
454	F	89	Confident	88.6	Confident	42 Å²	42	64.5 Å²	64.5	18%	0.184	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.6	-178.5	-59.9	-89.9	0	0	0	111.4	K443 Y445 C447 K452 Q456 H459 L460 H463	K443-F454 CarbonylContact C-O 3.58Å; K443-F454 VanDerWaalsContact C-O 3.29Å; K443-F454 WeakPolarHBondContact CA-O 3.46Å; Y445-F454 WeakPolarHBondContact CD2-O 3.39Å; Y445-F454 PolarHBondContact N-O 3.13Å; Y445-F454 VanDerWaalsContact N-O 3.13Å; Y445-F454 PolarHBondContact O-N 3.15Å; C447-F454 HydrophobicContact CB-CE2 4.37Å; K452-F454 HydrophobicContact CB-CE2 3.97Å; K452-F454 HydrophobicContact CB-CZ 4.16Å; K452-F454 WeakPolarHBondContact O-CE2 3.47Å; F454-Q456 VanDerWaalsContact C-N 3.34Å; F454-H459 HydrophobicContact CB-CB 4.3Å; F454-H459 HydrophobicContact CD1-CB 3.9Å; F454-H459 HydrophobicContact CG-CB 4.35Å; F454-L460 HydrophobicContact CB-CB 4.33Å; F454-L460 HydrophobicContact CD2-CB 3.94Å; F454-L460 HydrophobicContact CD2-CD1 3.83Å; F454-L460 HydrophobicContact CD2-CG 4.5Å; F454-L460 HydrophobicContact CE2-CD1 4.02Å; F454-L460 HydrophobicContact CG-CB 4.3Å; F454-H463 HydrophobicContact CE1-CB 4.01Å; F454-H463 HydrophobicContact CE2-CB 3.86Å; F454-H463 AromaticContact CE2-CD2 3.52Å; F454-H463 AromaticContact CE2-CG 3.66Å; F454-H463 HydrophobicContact CZ-CB 3.43Å; F454-H463 VanDerWaalsContact CZ-CB 3.43Å; F454-H463 AromaticContact CZ-CD2 3.55Å; F454-H463 AromaticContact CZ-CG 3.23Å; F454-H463 AromaticContact CZ-ND1 3.68Å
455	S	87.2	Confident	88.5	Confident	28 Å²	28	63.5 Å²	63.5	20%	0.196	35%	0.349	C	S	.	.	S	Bend	trans	-78	-18.1	176.9	57.6	0	0	0	0	113.5	R437	R437-S455 WeakPolarHBondContact CD-O 3.19Å; R437-S455 PolarHBondContact NH1-O 3.22Å
456	Q	86	Confident	88.2	Confident	74 Å²	74	65.4 Å²	65.4	35%	0.346	36%	0.364	S	S	.	.	S	Bend	trans	-133.4	141	-179.5	-60.7	-175	9.9	0	0	111.7	F454 S458 H459 L460	F454-Q456 VanDerWaalsContact C-N 3.34Å; Q456-S458 VanDerWaalsContact C-N 3.33Å; Q456-S458 PolarHBondContact O-N 3.28Å; Q456-H459 PolarHBondContact O-N 3.45Å; Q456-L460 PolarHBondContact O-N 3.42Å
457	K	87.1	Confident	87.9	Confident	139 Å²	139	65.4 Å²	65.4	60%	0.604	36%	0.358	S	S	*	.	H	α-helix	trans	-62.5	-38.1	179.4	-173.5	176.8	179.6	178.5	0	112.6	Y445 H459 L460 T461	Y445-K457 HydrophobicContact CD1-CB 3.99Å; Y445-K457 HydrophobicContact CD1-CG 4.38Å; Y445-K457 HydrophobicContact CD2-CB 4.43Å; Y445-K457 VanDerWaalsContact CD2-N 3.32Å; Y445-K457 HydrophobicContact CE1-CB 3.84Å; Y445-K457 HydrophobicContact CE1-CG 4.41Å; Y445-K457 HydrophobicContact CE2-CB 4.26Å; Y445-K457 HydrophobicContact CG-CB 4.28Å; K457-H459 VanDerWaalsContact C-N 3.28Å; K457-H459 PolarHBondContact O-N 2.87Å; K457-L460 WeakPolarHBondContact O-CB 3.36Å; K457-L460 PolarHBondContact O-N 3.21Å; K457-T461 PolarHBondContact O-N 2.79Å; K457-T461 PolarHBondContact O-OG1 3.36Å
458	S	85.1	Confident	87.5	Confident	74 Å²	74	69.3 Å²	69.3	52%	0.517	38%	0.382	S	S	.	.	H	α-helix	trans	-58.2	-40.2	176.9	48.4	0	0	0	0	112.2	Q456 T461 G462	Q456-S458 VanDerWaalsContact C-N 3.33Å; Q456-S458 PolarHBondContact O-N 3.28Å; S458-T461 PolarHBondContact O-N 2.86Å; S458-G462 PolarHBondContact O-N 2.85Å
459	H	87.8	Confident	87.2	Confident	97 Å²	97	65.9 Å²	65.9	45%	0.449	37%	0.37	S	S	.	.	H	α-helix	trans	-68.3	-40.8	176.5	-61.7	165.5	0	0	0	111.5	F454 Q456 K457 G462 H463	F454-H459 HydrophobicContact CB-CB 4.3Å; F454-H459 HydrophobicContact CD1-CB 3.9Å; F454-H459 HydrophobicContact CG-CB 4.35Å; Q456-H459 PolarHBondContact O-N 3.45Å; K457-H459 VanDerWaalsContact C-N 3.28Å; K457-H459 PolarHBondContact O-N 2.87Å; H459-G462 PolarHBondContact O-N 3.08Å; H459-H463 VanDerWaalsContact O-CB 3.3Å; H459-H463 WeakPolarHBondContact O-CB 3.43Å; H459-H463 PolarHBondContact O-N 3.38Å
460	L	90.2	Very high	87	Confident	19 Å²	19	66.5 Å²	66.5	10%	0.099	37%	0.37	C	S	.	.	H	α-helix	trans	-60	-50.4	172.7	172.2	62.3	0	0	0	111.2	C447 F454 Q456 K457 G462 H463 Q464	C447-L460 HydrophobicContact CB-CD1 3.56Å; F454-L460 HydrophobicContact CB-CB 4.33Å; F454-L460 HydrophobicContact CD2-CB 3.94Å; F454-L460 HydrophobicContact CD2-CD1 3.83Å; F454-L460 HydrophobicContact CD2-CG 4.5Å; F454-L460 HydrophobicContact CE2-CD1 4.02Å; F454-L460 HydrophobicContact CG-CB 4.3Å; Q456-L460 PolarHBondContact O-N 3.42Å; K457-L460 WeakPolarHBondContact O-CB 3.36Å; K457-L460 PolarHBondContact O-N 3.21Å; L460-G462 VanDerWaalsContact C-N 3.27Å; L460-G462 PolarHBondContact O-N 3.38Å; L460-H463 CarbonylContact O-C 3.56Å; L460-H463 WeakPolarHBondContact O-CA 3.4Å; L460-H463 WeakPolarHBondContact O-CB 3.36Å; L460-H463 PolarHBondContact O-N 2.75Å; L460-Q464 HydrophobicContact CD1-CG 4.08Å; L460-Q464 HydrophobicContact CG-CG 4.44Å; L460-Q464 WeakPolarHBondContact O-CG 3.22Å; L460-Q464 PolarHBondContact O-N 3.45Å
461	T	86.9	Confident	86.9	Confident	57 Å²	57	70 Å²	70	35%	0.35	38%	0.379	S	S	.	.	H	α-helix	trans	-59.6	-40.4	178.2	-59.2	0	0	0	0	111.6	K457 S458 H463 Q464	K457-T461 PolarHBondContact O-N 2.79Å; K457-T461 PolarHBondContact O-OG1 3.36Å; S458-T461 PolarHBondContact O-N 2.86Å; T461-H463 VanDerWaalsContact C-N 3.32Å; T461-H463 PolarHBondContact O-N 3.37Å; T461-Q464 PolarHBondContact O-N 3.48Å
462	G	85.9	Confident	86.9	Confident	13 Å²	13	71 Å²	71	13%	0.134	38%	0.376	C	S	.	.	H	α-helix	trans	-66.4	-33.5	175.1	0	0	0	0	0	113.8	S458 H459 L460	S458-G462 PolarHBondContact O-N 2.85Å; H459-G462 PolarHBondContact O-N 3.08Å; L460-G462 VanDerWaalsContact C-N 3.27Å; L460-G462 PolarHBondContact O-N 3.38Å
463	H	88.5	Confident	86.9	Confident	24 Å²	24	68.3 Å²	68.3	11%	0.111	36%	0.363	C	S	.	.	H	α-helix	trans	-71.6	-41.2	175.2	173.6	70.9	0	0	0	112.4	C450 F454 H459 L460 T461 R465 L466 H467	C450-H463 PolarHBondContact SG-NE2 3.47Å; F454-H463 HydrophobicContact CE1-CB 4.01Å; F454-H463 HydrophobicContact CE2-CB 3.86Å; F454-H463 AromaticContact CE2-CD2 3.52Å; F454-H463 AromaticContact CE2-CG 3.66Å; F454-H463 HydrophobicContact CZ-CB 3.43Å; F454-H463 VanDerWaalsContact CZ-CB 3.43Å; F454-H463 AromaticContact CZ-CD2 3.55Å; F454-H463 AromaticContact CZ-CG 3.23Å; F454-H463 AromaticContact CZ-ND1 3.68Å; H459-H463 VanDerWaalsContact O-CB 3.3Å; H459-H463 WeakPolarHBondContact O-CB 3.43Å; H459-H463 PolarHBondContact O-N 3.38Å; L460-H463 CarbonylContact O-C 3.56Å; L460-H463 WeakPolarHBondContact O-CA 3.4Å; L460-H463 WeakPolarHBondContact O-CB 3.36Å; L460-H463 PolarHBondContact O-N 2.75Å; T461-H463 VanDerWaalsContact C-N 3.32Å; T461-H463 PolarHBondContact O-N 3.37Å; H463-R465 PolarHBondContact O-N 3.14Å; H463-R465 VanDerWaalsContact O-N 3.16Å; H463-L466 WeakPolarHBondContact O-CB 3.39Å; H463-L466 WeakPolarHBondContact O-CG 3.18Å; H463-L466 PolarHBondContact O-N 3.37Å; H463-H467 AromaticContact CD2-NE2 3.9Å; H463-H467 AromaticContact CE1-NE2 3.94Å; H463-H467 AromaticContact NE2-CE1 3.92Å; H463-H467 AromaticContact NE2-NE2 3.21Å; H463-H467 PolarHBondContact NE2-NE2 2.97Å
464	Q	87.3	Confident	86.8	Confident	66 Å²	66	72.3 Å²	72.3	31%	0.308	38%	0.377	S	S	.	.	H	α-helix	trans	-57.3	-31.2	178.4	-76.2	175.3	-49.6	0	0	112.4	L460 T461 L466 H467 T468	L460-Q464 HydrophobicContact CD1-CG 4.08Å; L460-Q464 HydrophobicContact CG-CG 4.44Å; L460-Q464 WeakPolarHBondContact O-CG 3.22Å; L460-Q464 PolarHBondContact O-N 3.45Å; T461-Q464 PolarHBondContact O-N 3.48Å; Q464-L466 PolarHBondContact O-N 3.46Å; Q464-L466 VanDerWaalsContact O-N 3.15Å; Q464-H467 WeakPolarHBondContact O-CB 2.82Å; Q464-H467 PolarHBondContact O-N 3.04Å; Q464-T468 PolarHBondContact O-N 3.44Å; Q464-T468 VanDerWaalsContact O-N 3.15Å
465	R	87.9	Confident	86.9	Confident	51 Å²	51	70.3 Å²	70.3	19%	0.192	37%	0.368	C	S	.	.	H	α-helix	trans	-61.6	-19.5	173.4	-66.3	179.6	-177.4	165.5	0.5	114.2	H463 T468 G469 E470 S483	H463-R465 PolarHBondContact O-N 3.14Å; H463-R465 VanDerWaalsContact O-N 3.16Å; R465-T468 WeakPolarHBondContact CA-OG1 3.43Å; R465-G469 WeakPolarHBondContact O-CA 3.49Å; R465-G469 PolarHBondContact O-N 3.38Å; R465-G469 VanDerWaalsContact O-N 3.08Å; R465-E470 HydrophobicContact CG-CB 4.37Å; R465-E470 PolarHBondContact O-N 3.27Å; R465-S483 WeakPolarHBondContact CD-O 3.26Å; R465-S483 PolarHBondContact NH1-O 2.85Å
466	L	84.3	Confident	87	Confident	114 Å²	114	75.1 Å²	75.1	60%	0.597	40%	0.396	S	S	*	.	H	α-helix	trans	-74.2	-30.9	173.8	-58.1	177.1	0	0	0	111.7	H463 Q464	H463-L466 WeakPolarHBondContact O-CB 3.39Å; H463-L466 WeakPolarHBondContact O-CG 3.18Å; H463-L466 PolarHBondContact O-N 3.37Å; Q464-L466 PolarHBondContact O-N 3.46Å; Q464-L466 VanDerWaalsContact O-N 3.15Å
467	H	85	Confident	87.1	Confident	82 Å²	82	77 Å²	77	38%	0.38	41%	0.405	S	S	.	.	H	α-helix	trans	-78.9	-44.2	177	-61.5	-49.6	0	0	0	111.4	C447 D449 C450 H463 Q464 G469	C447-H467 PolarHBondContact SG-NE2 2.77Å; C447-H467 VanDerWaalsContact SG-NE2 3.38Å; D449-H467 IonicContact OD2-CD2 3.84Å; D449-H467 PolarHBondContact OD2-CD2 3.48Å; D449-H467 IonicContact OD2-CG 3.07Å; C450-H467 PolarHBondContact SG-NE2 3.15Å; C450-H467 VanDerWaalsContact SG-NE2 3.37Å; H463-H467 AromaticContact CD2-NE2 3.9Å; H463-H467 AromaticContact CE1-NE2 3.94Å; H463-H467 AromaticContact NE2-CE1 3.92Å; H463-H467 AromaticContact NE2-NE2 3.21Å; H463-H467 PolarHBondContact NE2-NE2 2.97Å; Q464-H467 WeakPolarHBondContact O-CB 2.82Å; Q464-H467 PolarHBondContact O-N 3.04Å; H467-G469 VanDerWaalsContact C-N 3.26Å; H467-G469 PolarHBondContact O-N 2.9Å
468	T	84.4	Confident	87.2	Confident	83 Å²	83	72.9 Å²	72.9	51%	0.509	39%	0.393	S	S	.	.	H	α-helix	trans	-76.5	-15	179.5	62.6	0	0	0	0	113.2	Q464 R465 E470	Q464-T468 PolarHBondContact O-N 3.44Å; Q464-T468 VanDerWaalsContact O-N 3.15Å; R465-T468 WeakPolarHBondContact CA-OG1 3.43Å; T468-E470 PolarHBondContact O-N 3.38Å; T468-E470 WeakPolarHBondContact OG1-CG 3.24Å; T468-E470 PolarHBondContact OG1-N 3.48Å
469	G	83.3	Confident	87.3	Confident	48 Å²	48	71.3 Å²	71.3	50%	0.495	39%	0.389	S	S	.	.			trans	69.8	5.3	-173.6	0	0	0	0	0	114.1	R465 H467 K471	R465-G469 WeakPolarHBondContact O-CA 3.49Å; R465-G469 PolarHBondContact O-N 3.38Å; R465-G469 VanDerWaalsContact O-N 3.08Å; H467-G469 VanDerWaalsContact C-N 3.26Å; H467-G469 PolarHBondContact O-N 2.9Å; G469-K471 PolarHBondContact O-N 3.16Å
470	E	84.1	Confident	87.3	Confident	113 Å²	113	72.9 Å²	72.9	53%	0.528	39%	0.394	S	S	.	.			trans	-59.9	122.3	-179.9	-76.8	-178.9	-178.3	0	0	111.3	R465 T468 P472	R465-E470 HydrophobicContact CG-CB 4.37Å; R465-E470 PolarHBondContact O-N 3.27Å; T468-E470 PolarHBondContact O-N 3.38Å; T468-E470 WeakPolarHBondContact OG1-CG 3.24Å; T468-E470 PolarHBondContact OG1-N 3.48Å; E470-P472 WeakPolarHBondContact O-CD 3.24Å
471	K	87.3	Confident	87.2	Confident	128 Å²	128	73.7 Å²	73.7	56%	0.557	40%	0.402	S	S	*	.			trans	-123.8	76.3	176.9	-71.1	168.3	171.7	-175.9	0	110.4	G469 Y473 S481 F482	G469-K471 PolarHBondContact O-N 3.16Å; K471-Y473 PolarHBondContact O-N 2.83Å; K471-Y473 VanDerWaalsContact O-N 3.11Å; K471-S481 WeakPolarHBondContact CD-O 3.29Å; K471-F482 CarbonylContact C-O 3.59Å; K471-F482 VanDerWaalsContact C-O 3.27Å; K471-F482 VanDerWaalsContact CA-O 3.29Å; K471-F482 WeakPolarHBondContact CA-O 3.45Å
472	P	87.4	Confident	87.2	Confident	73 Å²	73	73 Å²	73	47%	0.474	39%	0.394	S	S	.	.			trans	-67.2	-14.9	-172.5	-20.3	33.5	0	0	0	114.3	E470	E470-P472 WeakPolarHBondContact O-CD 3.24Å
473	Y	89	Confident	87.1	Confident	73 Å²	73	73.7 Å²	73.7	29%	0.286	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	94.7	-172	-55.4	-75.1	0	0	0	110.1	K471 S481 F482 K485	K471-Y473 PolarHBondContact O-N 2.83Å; K471-Y473 VanDerWaalsContact O-N 3.11Å; Y473-S481 CarbonylContact O-C 3.29Å; Y473-S481 WeakPolarHBondContact O-CA 3.18Å; Y473-F482 PolarHBondContact N-O 3.34Å; Y473-F482 VanDerWaalsContact N-O 3.16Å; Y473-F482 PolarHBondContact O-N 3.08Å; Y473-K485 HydrophobicContact CD1-CB 4.19Å; Y473-K485 HydrophobicContact CE1-CB 4.06Å
474	M	90	Very high	86.9	Confident	121 Å²	121	75.7 Å²	75.7	60%	0.596	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	136.3	178.5	-171.5	-179.3	-65.1	0	0	111.3
475	C	91.3	Very high	86.9	Confident	0 Å²	0	78.9 Å²	78.9	0%	0	42%	0.419	C	S	.	.			trans	-76.8	122	166.3	179.1	0	0	0	0	109.3	E477 C478 G479 K480 F482 L488 H495	C475-E477 VanDerWaalsContact C-N 3.28Å; C475-E477 PolarHBondContact O-N 3.38Å; C475-C478 VanDerWaalsContact SG-SG 3.61Å; C475-G479 WeakPolarHBondContact O-CA 2.87Å; C475-G479 PolarHBondContact O-N 3.09Å; C475-K480 WeakPolarHBondContact CB-O 3.38Å; C475-K480 PolarHBondContact N-O 3.34Å; C475-F482 HydrophobicContact CB-CE2 4.5Å; C475-L488 HydrophobicContact CB-CD1 3.65Å; C475-H495 PolarHBondContact SG-NE2 3.49Å
476	T	89.3	Confident	86.8	Confident	129 Å²	129	80.3 Å²	80.3	79%	0.791	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-26	-179.4	48.5	0	0	0	0	113.1
477	E	87.9	Confident	86.9	Confident	113 Å²	113	77.2 Å²	77.2	53%	0.528	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-31.3	-175.4	-67	168	150.1	0	0	113.2	C475 H495	C475-E477 VanDerWaalsContact C-N 3.28Å; C475-E477 PolarHBondContact O-N 3.38Å; E477-H495 WeakPolarHBondContact OE2-CB 3.44Å; E477-H495 IonicContact OE2-CD2 3.36Å; E477-H495 PolarHBondContact OE2-CD2 3.43Å; E477-H495 IonicContact OE2-CG 3.89Å; E477-H495 IonicContact OE2-NE2 3.11Å
478	C	88.8	Confident	87.2	Confident	52 Å²	52	74.1 Å²	74.1	35%	0.351	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	4.5	-176.5	74.4	0	0	0	0	114.7	C475 K480 H491 H495	C475-C478 VanDerWaalsContact SG-SG 3.61Å; C478-K480 PolarHBondContact O-N 3.43Å; C478-K480 VanDerWaalsContact SG-CB 3.58Å; C478-K480 VanDerWaalsContact SG-CG 3.58Å; C478-H491 PolarHBondContact SG-NE2 3.4Å; C478-H495 PolarHBondContact SG-NE2 3.36Å
479	G	86.3	Confident	87.3	Confident	42 Å²	42	73.3 Å²	73.3	43%	0.433	40%	0.402	S	S	.	.			trans	69.1	-3.8	-179.5	0	0	0	0	0	115.4	C475 S481	C475-G479 WeakPolarHBondContact O-CA 2.87Å; C475-G479 PolarHBondContact O-N 3.09Å; G479-S481 PolarHBondContact O-N 2.74Å; G479-S481 PolarHBondContact O-OG 2.82Å
480	K	88.4	Confident	87.5	Confident	129 Å²	129	73.7 Å²	73.7	56%	0.561	39%	0.392	S	S	*	.			trans	-65.4	128.4	-179	-72	-179.4	-178.2	176.3	0	110.8	C475 C478 F482	C475-K480 WeakPolarHBondContact CB-O 3.38Å; C475-K480 PolarHBondContact N-O 3.34Å; C478-K480 PolarHBondContact O-N 3.43Å; C478-K480 VanDerWaalsContact SG-CB 3.58Å; C478-K480 VanDerWaalsContact SG-CG 3.58Å; K480-F482 HydrophobicContact CB-CE2 4.08Å; K480-F482 HydrophobicContact CB-CZ 4.22Å; K480-F482 WeakPolarHBondContact O-CE2 3.31Å
481	S	88.4	Confident	87.8	Confident	37 Å²	37	69.3 Å²	69.3	26%	0.259	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142.8	-176.4	-60.3	0	0	0	0	112.3	K471 Y473 G479	K471-S481 WeakPolarHBondContact CD-O 3.29Å; Y473-S481 CarbonylContact O-C 3.29Å; Y473-S481 WeakPolarHBondContact O-CA 3.18Å; G479-S481 PolarHBondContact O-N 2.74Å; G479-S481 PolarHBondContact O-OG 2.82Å
482	F	86.1	Confident	87.8	Confident	43 Å²	43	66 Å²	66	19%	0.189	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	148.6	-175.8	-57.7	-89.7	0	0	0	111.1	K471 Y473 C475 K480 Q484 P487 L488 H491	K471-F482 CarbonylContact C-O 3.59Å; K471-F482 VanDerWaalsContact C-O 3.27Å; K471-F482 VanDerWaalsContact CA-O 3.29Å; K471-F482 WeakPolarHBondContact CA-O 3.45Å; Y473-F482 PolarHBondContact N-O 3.34Å; Y473-F482 VanDerWaalsContact N-O 3.16Å; Y473-F482 PolarHBondContact O-N 3.08Å; C475-F482 HydrophobicContact CB-CE2 4.5Å; K480-F482 HydrophobicContact CB-CE2 4.08Å; K480-F482 HydrophobicContact CB-CZ 4.22Å; K480-F482 WeakPolarHBondContact O-CE2 3.31Å; F482-Q484 VanDerWaalsContact C-N 3.3Å; F482-P487 HydrophobicContact CD1-CB 3.8Å; F482-P487 HydrophobicContact CE1-CB 4.4Å; F482-P487 HydrophobicContact CG-CB 4.36Å; F482-L488 HydrophobicContact CB-CB 4.39Å; F482-L488 HydrophobicContact CD2-CB 3.81Å; F482-L488 HydrophobicContact CD2-CD1 3.82Å; F482-L488 HydrophobicContact CD2-CG 4.42Å; F482-L488 HydrophobicContact CE2-CB 4.47Å; F482-L488 HydrophobicContact CE2-CD1 3.93Å; F482-L488 HydrophobicContact CG-CB 4.26Å; F482-H491 HydrophobicContact CE1-CB 4.19Å; F482-H491 HydrophobicContact CE2-CB 3.89Å; F482-H491 AromaticContact CE2-CD2 3.66Å; F482-H491 AromaticContact CE2-CG 3.77Å; F482-H491 HydrophobicContact CZ-CB 3.47Å; F482-H491 VanDerWaalsContact CZ-CB 3.47Å; F482-H491 AromaticContact CZ-CD2 3.7Å; F482-H491 AromaticContact CZ-CG 3.36Å; F482-H491 AromaticContact CZ-ND1 3.9Å
483	S	84.6	Confident	88	Confident	27 Å²	27	64.8 Å²	64.8	19%	0.189	34%	0.344	C	S	.	.	S	Bend	trans	-77.6	-17	178	57.1	0	0	0	0	113.4	R465	R465-S483 WeakPolarHBondContact CD-O 3.26Å; R465-S483 PolarHBondContact NH1-O 2.85Å
484	Q	84	Confident	87.9	Confident	66 Å²	66	67.1 Å²	67.1	31%	0.308	36%	0.36	S	S	.	.	S	Bend	trans	-134	157.4	-178.8	-62.2	-59.9	-21.6	0	0	111	F482 P487	F482-Q484 VanDerWaalsContact C-N 3.3Å; Q484-P487 HydrophobicContact CB-CG 4.17Å; Q484-P487 WeakPolarHBondContact O-CD 3.26Å
485	K	86.6	Confident	87.8	Confident	132 Å²	132	65 Å²	65	57%	0.574	35%	0.348	S	S	*	.	H	α-helix	trans	-73.9	-37	179.2	-169.9	177.2	-179.3	178.9	0	112.8	Y473 L488 I489	Y473-K485 HydrophobicContact CD1-CB 4.19Å; Y473-K485 HydrophobicContact CE1-CB 4.06Å; K485-L488 WeakPolarHBondContact O-CB 3.43Å; K485-L488 PolarHBondContact O-N 3.12Å; K485-I489 HydrophobicContact CG-CG1 4.32Å; K485-I489 WeakPolarHBondContact O-CG1 3.32Å; K485-I489 PolarHBondContact O-N 2.86Å
486	S	86.2	Confident	87.5	Confident	81 Å²	81	68.5 Å²	68.5	57%	0.566	37%	0.37	S	S	*	.	H	α-helix	trans	-63.9	-41.4	-175.9	60.1	0	0	0	0	114	L488 I489 I490	S486-L488 VanDerWaalsContact C-N 3.3Å; S486-L488 PolarHBondContact O-N 2.95Å; S486-I489 PolarHBondContact O-N 2.89Å; S486-I490 WeakPolarHBondContact O-CG1 3.43Å; S486-I490 PolarHBondContact O-N 2.66Å; S486-I490 VanDerWaalsContact O-N 3.09Å
487	P	86.8	Confident	87.4	Confident	49 Å²	49	64.7 Å²	64.7	32%	0.318	36%	0.356	S	S	.	.	H	α-helix	trans	-65	-33.6	173.4	-21.7	36.5	0	0	0	112.7	F482 Q484 I490 H491	F482-P487 HydrophobicContact CD1-CB 3.8Å; F482-P487 HydrophobicContact CE1-CB 4.4Å; F482-P487 HydrophobicContact CG-CB 4.36Å; Q484-P487 HydrophobicContact CB-CG 4.17Å; Q484-P487 WeakPolarHBondContact O-CD 3.26Å; P487-I490 PolarHBondContact O-N 2.94Å; P487-H491 WeakPolarHBondContact O-CB 3.23Å; P487-H491 PolarHBondContact O-N 3.26Å
488	L	90.1	Very high	87.3	Confident	17 Å²	17	64.6 Å²	64.6	9%	0.089	36%	0.356	C	S	.	.	H	α-helix	trans	-61.9	-48.4	174	171.7	64	0	0	0	111.2	C475 F482 K485 S486 I490 H491 Q492	C475-L488 HydrophobicContact CB-CD1 3.65Å; F482-L488 HydrophobicContact CB-CB 4.39Å; F482-L488 HydrophobicContact CD2-CB 3.81Å; F482-L488 HydrophobicContact CD2-CD1 3.82Å; F482-L488 HydrophobicContact CD2-CG 4.42Å; F482-L488 HydrophobicContact CE2-CB 4.47Å; F482-L488 HydrophobicContact CE2-CD1 3.93Å; F482-L488 HydrophobicContact CG-CB 4.26Å; K485-L488 WeakPolarHBondContact O-CB 3.43Å; K485-L488 PolarHBondContact O-N 3.12Å; S486-L488 VanDerWaalsContact C-N 3.3Å; S486-L488 PolarHBondContact O-N 2.95Å; L488-I490 VanDerWaalsContact C-N 3.32Å; L488-I490 PolarHBondContact O-N 3.49Å; L488-H491 WeakPolarHBondContact O-CB 3.47Å; L488-H491 PolarHBondContact O-N 3.47Å; L488-H491 VanDerWaalsContact O-N 3.13Å; L488-Q492 HydrophobicContact CD1-CG 4.2Å; L488-Q492 WeakPolarHBondContact O-CG 3.3Å; L488-Q492 PolarHBondContact O-N 2.96Å
489	I	87.9	Confident	87.4	Confident	67 Å²	67	67.7 Å²	67.7	34%	0.344	36%	0.363	S	S	.	.	H	α-helix	trans	-60.9	-43.4	178.7	-62.7	-59.5	0	0	0	111.1	K485 S486 H491 Q492 R493	K485-I489 HydrophobicContact CG-CG1 4.32Å; K485-I489 WeakPolarHBondContact O-CG1 3.32Å; K485-I489 PolarHBondContact O-N 2.86Å; S486-I489 PolarHBondContact O-N 2.89Å; I489-H491 VanDerWaalsContact C-N 3.29Å; I489-H491 PolarHBondContact O-N 2.95Å; I489-Q492 PolarHBondContact O-N 2.87Å; I489-R493 PolarHBondContact O-N 3.46Å
490	I	87.9	Confident	87.5	Confident	56 Å²	56	69.3 Å²	69.3	29%	0.287	37%	0.366	S	S	.	.	H	α-helix	trans	-64.2	-38.6	176.8	-67	167.6	0	0	0	110.7	S486 P487 L488 R493 Q512	S486-I490 WeakPolarHBondContact O-CG1 3.43Å; S486-I490 PolarHBondContact O-N 2.66Å; S486-I490 VanDerWaalsContact O-N 3.09Å; P487-I490 PolarHBondContact O-N 2.94Å; L488-I490 VanDerWaalsContact C-N 3.32Å; L488-I490 PolarHBondContact O-N 3.49Å; I490-R493 WeakPolarHBondContact O-CB 3.45Å; I490-R493 PolarHBondContact O-N 2.96Å; I490-Q512 HydrophobicContact CG2-CG 3.87Å
491	H	89.3	Confident	87.6	Confident	21 Å²	21	66.7 Å²	66.7	10%	0.097	35%	0.353	C	S	.	.	H	α-helix	trans	-65.4	-41.4	177.1	174.4	67.7	0	0	0	112.2	C478 F482 P487 L488 I489 R493 I494 H495	C478-H491 PolarHBondContact SG-NE2 3.4Å; F482-H491 HydrophobicContact CE1-CB 4.19Å; F482-H491 HydrophobicContact CE2-CB 3.89Å; F482-H491 AromaticContact CE2-CD2 3.66Å; F482-H491 AromaticContact CE2-CG 3.77Å; F482-H491 HydrophobicContact CZ-CB 3.47Å; F482-H491 VanDerWaalsContact CZ-CB 3.47Å; F482-H491 AromaticContact CZ-CD2 3.7Å; F482-H491 AromaticContact CZ-CG 3.36Å; F482-H491 AromaticContact CZ-ND1 3.9Å; P487-H491 WeakPolarHBondContact O-CB 3.23Å; P487-H491 PolarHBondContact O-N 3.26Å; L488-H491 WeakPolarHBondContact O-CB 3.47Å; L488-H491 PolarHBondContact O-N 3.47Å; L488-H491 VanDerWaalsContact O-N 3.13Å; I489-H491 VanDerWaalsContact C-N 3.29Å; I489-H491 PolarHBondContact O-N 2.95Å; H491-R493 PolarHBondContact O-N 3.44Å; H491-I494 VanDerWaalsContact O-CB 3.23Å; H491-I494 WeakPolarHBondContact O-CB 3.39Å; H491-I494 WeakPolarHBondContact O-CG1 3.47Å; H491-I494 PolarHBondContact O-N 2.92Å; H491-H495 AromaticContact CD2-NE2 3.96Å; H491-H495 AromaticContact CE1-NE2 3.87Å; H491-H495 AromaticContact NE2-NE2 3.22Å; H491-H495 PolarHBondContact NE2-NE2 3.2Å
492	Q	88.3	Confident	87.8	Confident	57 Å²	57	71.1 Å²	71.1	27%	0.266	37%	0.37	S	S	.	.	H	α-helix	trans	-58.2	-29.3	177.4	-76.5	175.7	-43.2	0	0	112.7	L488 I489 I494 H495 T496	L488-Q492 HydrophobicContact CD1-CG 4.2Å; L488-Q492 WeakPolarHBondContact O-CG 3.3Å; L488-Q492 PolarHBondContact O-N 2.96Å; I489-Q492 PolarHBondContact O-N 2.87Å; Q492-I494 PolarHBondContact O-N 3.4Å; Q492-I494 VanDerWaalsContact O-N 3.12Å; Q492-H495 PolarHBondContact O-N 3.1Å; Q492-T496 PolarHBondContact O-N 3.44Å; Q492-T496 VanDerWaalsContact O-N 3.09Å
493	R	90.2	Very high	88.1	Confident	49 Å²	49	69.1 Å²	69.1	19%	0.185	36%	0.361	C	S	.	.	H	α-helix	trans	-61.6	-18.9	173.8	-62.9	178	-176.8	168.1	0.3	114.2	I489 I490 H491 H495 T496 G497 E498 S511	I489-R493 PolarHBondContact O-N 3.46Å; I490-R493 WeakPolarHBondContact O-CB 3.45Å; I490-R493 PolarHBondContact O-N 2.96Å; H491-R493 PolarHBondContact O-N 3.44Å; R493-H495 VanDerWaalsContact C-N 3.33Å; R493-T496 WeakPolarHBondContact CA-OG1 3.48Å; R493-G497 CarbonylContact O-C 3.56Å; R493-G497 WeakPolarHBondContact O-CA 3.42Å; R493-G497 PolarHBondContact O-N 2.96Å; R493-E498 HydrophobicContact CG-CB 4.34Å; R493-E498 PolarHBondContact O-N 3.04Å; R493-S511 PolarHBondContact NH1-O 3.28Å
494	I	87.8	Confident	88.4	Confident	122 Å²	122	71.8 Å²	71.8	63%	0.626	39%	0.393	S	S	*	.	H	α-helix	trans	-70.7	-36.4	174.6	-60.9	171.6	0	0	0	110.1	H491 Q492	H491-I494 VanDerWaalsContact O-CB 3.23Å; H491-I494 WeakPolarHBondContact O-CB 3.39Å; H491-I494 WeakPolarHBondContact O-CG1 3.47Å; H491-I494 PolarHBondContact O-N 2.92Å; Q492-I494 PolarHBondContact O-N 3.4Å; Q492-I494 VanDerWaalsContact O-N 3.12Å
495	H	86.8	Confident	88.6	Confident	75 Å²	75	74.6 Å²	74.6	35%	0.347	41%	0.406	S	S	.	.	H	α-helix	trans	-80.8	-42.5	-179.6	-58.2	-55.4	0	0	0	111.6	C475 E477 C478 H491 Q492 R493 G497	C475-H495 PolarHBondContact SG-NE2 3.49Å; E477-H495 WeakPolarHBondContact OE2-CB 3.44Å; E477-H495 IonicContact OE2-CD2 3.36Å; E477-H495 PolarHBondContact OE2-CD2 3.43Å; E477-H495 IonicContact OE2-CG 3.89Å; E477-H495 IonicContact OE2-NE2 3.11Å; C478-H495 PolarHBondContact SG-NE2 3.36Å; H491-H495 AromaticContact CD2-NE2 3.96Å; H491-H495 AromaticContact CE1-NE2 3.87Å; H491-H495 AromaticContact NE2-NE2 3.22Å; H491-H495 PolarHBondContact NE2-NE2 3.2Å; Q492-H495 PolarHBondContact O-N 3.1Å; R493-H495 VanDerWaalsContact C-N 3.33Å; H495-G497 VanDerWaalsContact C-N 3.27Å; H495-G497 PolarHBondContact O-N 3.36Å
496	T	86.8	Confident	88.7	Confident	75 Å²	75	70.8 Å²	70.8	46%	0.46	40%	0.395	S	S	.	.	H	α-helix	trans	-76.6	-15.2	178	64.8	0	0	0	0	113.2	Q492 R493 E498	Q492-T496 PolarHBondContact O-N 3.44Å; Q492-T496 VanDerWaalsContact O-N 3.09Å; R493-T496 WeakPolarHBondContact CA-OG1 3.48Å; T496-E498 PolarHBondContact O-N 3.04Å; T496-E498 WeakPolarHBondContact OG1-CG 3.35Å; T496-E498 PolarHBondContact OG1-N 3.41Å
497	G	85.9	Confident	88.7	Confident	48 Å²	48	68.7 Å²	68.7	50%	0.495	39%	0.386	S	S	.	.			trans	69.4	4.9	-174.2	0	0	0	0	0	114.3	R493 H495 K499	R493-G497 CarbonylContact O-C 3.56Å; R493-G497 WeakPolarHBondContact O-CA 3.42Å; R493-G497 PolarHBondContact O-N 2.96Å; H495-G497 VanDerWaalsContact C-N 3.27Å; H495-G497 PolarHBondContact O-N 3.36Å; G497-K499 PolarHBondContact O-N 3.07Å
498	E	87.2	Confident	88.8	Confident	112 Å²	112	72.4 Å²	72.4	52%	0.523	40%	0.397	S	S	.	.			trans	-61	122.6	-178.2	-76.9	-179.8	-173.8	0	0	111.9	R493 T496	R493-E498 HydrophobicContact CG-CB 4.34Å; R493-E498 PolarHBondContact O-N 3.04Å; T496-E498 PolarHBondContact O-N 3.04Å; T496-E498 WeakPolarHBondContact OG1-CG 3.35Å; T496-E498 PolarHBondContact OG1-N 3.41Å
499	K	89.4	Confident	88.8	Confident	117 Å²	117	74.5 Å²	74.5	51%	0.509	41%	0.411	S	S	.	.			trans	-125.5	78.5	175.5	-68.6	175.2	179.8	179.6	0	110.4	G497 Y501 T509 F510	G497-K499 PolarHBondContact O-N 3.07Å; K499-Y501 PolarHBondContact O-N 3.44Å; K499-Y501 VanDerWaalsContact O-N 3.09Å; K499-T509 WeakPolarHBondContact CD-OG1 3.35Å; K499-F510 CarbonylContact C-O 3.51Å; K499-F510 VanDerWaalsContact C-O 3.28Å; K499-F510 WeakPolarHBondContact CA-O 3.37Å
500	P	89.3	Confident	88.9	Confident	75 Å²	75	73.1 Å²	73.1	49%	0.487	40%	0.402	S	S	.	.			trans	-67.6	-13	-170	-21.1	33.7	0	0	0	114.9
501	Y	91.1	Very high	88.8	Confident	75 Å²	75	71.9 Å²	71.9	29%	0.294	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	103.9	-172	-54.9	-74.5	0	0	0	110.2	K499 T509 F510 K513	K499-Y501 PolarHBondContact O-N 3.44Å; K499-Y501 VanDerWaalsContact O-N 3.09Å; Y501-T509 CarbonylContact O-C 3.32Å; Y501-T509 WeakPolarHBondContact O-CA 3.18Å; Y501-F510 WeakPolarHBondContact CD2-O 3.22Å; Y501-F510 PolarHBondContact N-O 3.07Å; Y501-F510 PolarHBondContact O-N 3.34Å; Y501-K513 HydrophobicContact CD1-CB 3.97Å; Y501-K513 HydrophobicContact CD1-CG 4.38Å; Y501-K513 VanDerWaalsContact CD2-N 3.33Å; Y501-K513 HydrophobicContact CE1-CB 3.8Å; Y501-K513 HydrophobicContact CE1-CG 4.39Å; Y501-K513 HydrophobicContact CE2-CB 4.34Å; Y501-K513 HydrophobicContact CG-CB 4.33Å
502	Q	92.1	Very high	88.8	Confident	130 Å²	130	74 Å²	74	61%	0.607	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.2	139.8	178.7	-169.8	173.9	13.3	0	0	111.5	G507 T509	Q502-G507 PolarHBondContact NE2-O 3.38Å; Q502-T509 HydrophobicContact CB-CG2 4.05Å; Q502-T509 HydrophobicContact CG-CG2 3.92Å
503	C	92.3	Very high	88.8	Confident	1 Å²	1	77.5 Å²	77.5	1%	0.007	42%	0.423	C	S	.	.			trans	-77.7	123.7	168.2	-176.2	0	0	0	0	109.6	E505 G507 K508 F510 L516	C503-E505 VanDerWaalsContact C-N 3.26Å; C503-E505 PolarHBondContact O-N 3.03Å; C503-G507 WeakPolarHBondContact O-CA 2.92Å; C503-G507 PolarHBondContact O-N 2.68Å; C503-K508 WeakPolarHBondContact CB-O 3.3Å; C503-K508 PolarHBondContact N-O 3.37Å; C503-F510 HydrophobicContact CB-CE2 4.35Å; C503-L516 HydrophobicContact CB-CD1 3.74Å
504	G	89.4	Confident	88.6	Confident	83 Å²	83	78 Å²	78	86%	0.856	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-25.5	178.1	0	0	0	0	0	113.7
505	E	88.3	Confident	88.6	Confident	124 Å²	124	75.5 Å²	75.5	58%	0.579	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-38.3	-174.4	-64.3	-174.9	-140.2	0	0	114	C503 H523	C503-E505 VanDerWaalsContact C-N 3.26Å; C503-E505 PolarHBondContact O-N 3.03Å; E505-H523 WeakPolarHBondContact OE2-CB 3.4Å; E505-H523 IonicContact OE2-CD2 3.27Å; E505-H523 IonicContact OE2-CG 3.31Å; E505-H523 IonicContact OE2-ND1 3.9Å; E505-H523 PolarHBondContact OE2-ND1 3.14Å
506	C	89.3	Confident	88.8	Confident	53 Å²	53	73 Å²	73	36%	0.358	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	6.8	-178	68.4	0	0	0	0	114.4	K508 H519 H523	C506-K508 PolarHBondContact O-N 3.36Å; C506-H519 PolarHBondContact SG-NE2 3.2Å; C506-H523 PolarHBondContact SG-NE2 3.42Å; C506-H523 VanDerWaalsContact SG-NE2 3.36Å
507	G	87	Confident	88.8	Confident	36 Å²	36	73.3 Å²	73.3	37%	0.371	41%	0.408	S	S	.	.			trans	68.7	-3	178.3	0	0	0	0	0	115.5	Q502 C503 T509	Q502-G507 PolarHBondContact NE2-O 3.38Å; C503-G507 WeakPolarHBondContact O-CA 2.92Å; C503-G507 PolarHBondContact O-N 2.68Å; G507-T509 PolarHBondContact O-N 3.44Å
508	K	88.9	Confident	88.9	Confident	127 Å²	127	73.9 Å²	73.9	55%	0.552	40%	0.4	S	S	*	.			trans	-63.2	134.1	-179.5	-73.5	-179.7	-177.7	173.2	0	111.4	C503 C506 F510	C503-K508 WeakPolarHBondContact CB-O 3.3Å; C503-K508 PolarHBondContact N-O 3.37Å; C506-K508 PolarHBondContact O-N 3.36Å; K508-F510 HydrophobicContact CB-CE2 3.92Å; K508-F510 HydrophobicContact CB-CZ 4.05Å; K508-F510 WeakPolarHBondContact O-CE2 3.44Å
509	T	89.6	Confident	89	Confident	61 Å²	61	69.7 Å²	69.7	37%	0.374	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	145.5	-179.2	59.9	0	0	0	0	112.1	K499 Y501 Q502 G507	K499-T509 WeakPolarHBondContact CD-OG1 3.35Å; Y501-T509 CarbonylContact O-C 3.32Å; Y501-T509 WeakPolarHBondContact O-CA 3.18Å; Q502-T509 HydrophobicContact CB-CG2 4.05Å; Q502-T509 HydrophobicContact CG-CG2 3.92Å; G507-T509 PolarHBondContact O-N 3.44Å
510	F	89.2	Confident	88.9	Confident	38 Å²	38	67 Å²	67	17%	0.167	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	147	-176.4	-59.6	-87.2	0	0	0	111.1	K499 Y501 C503 K508 Q512 L515 L516 H519	K499-F510 CarbonylContact C-O 3.51Å; K499-F510 VanDerWaalsContact C-O 3.28Å; K499-F510 WeakPolarHBondContact CA-O 3.37Å; Y501-F510 WeakPolarHBondContact CD2-O 3.22Å; Y501-F510 PolarHBondContact N-O 3.07Å; Y501-F510 PolarHBondContact O-N 3.34Å; C503-F510 HydrophobicContact CB-CE2 4.35Å; K508-F510 HydrophobicContact CB-CE2 3.92Å; K508-F510 HydrophobicContact CB-CZ 4.05Å; K508-F510 WeakPolarHBondContact O-CE2 3.44Å; F510-Q512 VanDerWaalsContact C-N 3.31Å; F510-L515 HydrophobicContact CB-CB 4.16Å; F510-L515 HydrophobicContact CD1-CB 3.85Å; F510-L515 HydrophobicContact CG-CB 4.26Å; F510-L516 HydrophobicContact CB-CB 4.4Å; F510-L516 HydrophobicContact CD2-CB 3.96Å; F510-L516 HydrophobicContact CD2-CD1 3.87Å; F510-L516 HydrophobicContact CE2-CD1 4.01Å; F510-L516 HydrophobicContact CG-CB 4.34Å; F510-H519 HydrophobicContact CE1-CB 3.93Å; F510-H519 HydrophobicContact CE2-CB 3.91Å; F510-H519 AromaticContact CE2-CD2 3.35Å; F510-H519 WeakPolarHBondContact CE2-CD2 3.47Å; F510-H519 AromaticContact CE2-CG 3.66Å; F510-H519 HydrophobicContact CZ-CB 3.42Å; F510-H519 VanDerWaalsContact CZ-CB 3.42Å; F510-H519 AromaticContact CZ-CD2 3.38Å; F510-H519 WeakPolarHBondContact CZ-CD2 3.44Å; F510-H519 AromaticContact CZ-CG 3.2Å; F510-H519 AromaticContact CZ-ND1 3.79Å; F510-H519 AromaticContact CZ-NE2 3.99Å
511	S	87.3	Confident	88.9	Confident	31 Å²	31	65.5 Å²	65.5	22%	0.217	36%	0.355	C	S	.	.	S	Bend	trans	-78.4	-15.5	177.9	58.3	0	0	0	0	113.4	R493	R493-S511 PolarHBondContact NH1-O 3.28Å
512	Q	88	Confident	88.7	Confident	66 Å²	66	67.1 Å²	67.1	31%	0.308	37%	0.373	S	S	.	.	S	Bend	trans	-138.1	143.2	-179.5	-59.4	-179.8	33.8	0	0	111.3	I490 F510 S514 L515 L516	I490-Q512 HydrophobicContact CG2-CG 3.87Å; F510-Q512 VanDerWaalsContact C-N 3.31Å; Q512-S514 VanDerWaalsContact C-N 3.3Å; Q512-S514 PolarHBondContact O-N 3.26Å; Q512-S514 PolarHBondContact OE1-OG 3.17Å; Q512-L515 HydrophobicContact CB-CD1 4.18Å; Q512-L515 HydrophobicContact CB-CG 4.18Å; Q512-L515 HydrophobicContact CG-CD1 4.47Å; Q512-L515 PolarHBondContact O-N 3.43Å; Q512-L516 PolarHBondContact O-N 2.98Å
513	K	88.5	Confident	88.5	Confident	130 Å²	130	64.1 Å²	64.1	57%	0.565	36%	0.359	S	S	*	.	H	α-helix	trans	-61.7	-35.9	177.3	-171.8	176.5	-179.6	176.8	0	112.8	Y501 L515 L516 I517	Y501-K513 HydrophobicContact CD1-CB 3.97Å; Y501-K513 HydrophobicContact CD1-CG 4.38Å; Y501-K513 VanDerWaalsContact CD2-N 3.33Å; Y501-K513 HydrophobicContact CE1-CB 3.8Å; Y501-K513 HydrophobicContact CE1-CG 4.39Å; Y501-K513 HydrophobicContact CE2-CB 4.34Å; Y501-K513 HydrophobicContact CG-CB 4.33Å; K513-L515 VanDerWaalsContact C-N 3.3Å; K513-L515 PolarHBondContact O-N 3.33Å; K513-L516 WeakPolarHBondContact O-CB 3.37Å; K513-L516 PolarHBondContact O-N 2.89Å; K513-I517 HydrophobicContact CG-CD1 4.17Å; K513-I517 WeakPolarHBondContact O-CG1 3.36Å; K513-I517 PolarHBondContact O-N 2.75Å
514	S	86.6	Confident	88.1	Confident	58 Å²	58	67.8 Å²	67.8	41%	0.406	38%	0.381	S	S	.	.	H	α-helix	trans	-59.8	-39.9	176.8	49.1	0	0	0	0	112.3	Q512 I517 I518	Q512-S514 VanDerWaalsContact C-N 3.3Å; Q512-S514 PolarHBondContact O-N 3.26Å; Q512-S514 PolarHBondContact OE1-OG 3.17Å; S514-I517 PolarHBondContact O-N 2.82Å; S514-I518 VanDerWaalsContact O-CG1 3.3Å; S514-I518 WeakPolarHBondContact O-CG1 3.32Å; S514-I518 PolarHBondContact O-N 3.08Å
515	L	88.1	Confident	87.9	Confident	70 Å²	70	66.1 Å²	66.1	37%	0.366	36%	0.364	S	S	.	.	H	α-helix	trans	-68	-39.2	176.9	-64.5	175.8	0	0	0	111.5	F510 Q512 K513 I518 H519	F510-L515 HydrophobicContact CB-CB 4.16Å; F510-L515 HydrophobicContact CD1-CB 3.85Å; F510-L515 HydrophobicContact CG-CB 4.26Å; Q512-L515 HydrophobicContact CB-CD1 4.18Å; Q512-L515 HydrophobicContact CB-CG 4.18Å; Q512-L515 HydrophobicContact CG-CD1 4.47Å; Q512-L515 PolarHBondContact O-N 3.43Å; K513-L515 VanDerWaalsContact C-N 3.3Å; K513-L515 PolarHBondContact O-N 3.33Å; L515-I518 PolarHBondContact O-N 3.09Å; L515-H519 VanDerWaalsContact O-CB 3.26Å; L515-H519 WeakPolarHBondContact O-CB 3.49Å; L515-H519 PolarHBondContact O-N 3.33Å
516	L	90.6	Very high	87.8	Confident	24 Å²	24	65.6 Å²	65.6	13%	0.126	36%	0.361	C	S	.	.	H	α-helix	trans	-60.6	-48.4	172.1	173.7	61.6	0	0	0	111.2	C503 F510 Q512 K513 I518 H519 L520	C503-L516 HydrophobicContact CB-CD1 3.74Å; F510-L516 HydrophobicContact CB-CB 4.4Å; F510-L516 HydrophobicContact CD2-CB 3.96Å; F510-L516 HydrophobicContact CD2-CD1 3.87Å; F510-L516 HydrophobicContact CE2-CD1 4.01Å; F510-L516 HydrophobicContact CG-CB 4.34Å; Q512-L516 PolarHBondContact O-N 2.98Å; K513-L516 WeakPolarHBondContact O-CB 3.37Å; K513-L516 PolarHBondContact O-N 2.89Å; L516-I518 VanDerWaalsContact C-N 3.33Å; L516-I518 PolarHBondContact O-N 2.88Å; L516-H519 CarbonylContact O-C 3.52Å; L516-H519 WeakPolarHBondContact O-CA 3.46Å; L516-H519 WeakPolarHBondContact O-CB 3.23Å; L516-H519 PolarHBondContact O-N 2.92Å; L516-H519 VanDerWaalsContact O-N 3.08Å; L516-L520 HydrophobicContact CD1-CD2 4.47Å; L516-L520 HydrophobicContact CD1-CG 4.24Å; L516-L520 HydrophobicContact CG-CD1 4.41Å; L516-L520 WeakPolarHBondContact O-CG 3.45Å; L516-L520 PolarHBondContact O-N 3.4Å
517	I	87.6	Confident	87.7	Confident	80 Å²	80	69 Å²	69	41%	0.41	37%	0.37	S	S	.	.	H	α-helix	trans	-60	-43	178.8	-66.9	167.3	0	0	0	111.4	K513 S514 H519 L520	K513-I517 HydrophobicContact CG-CD1 4.17Å; K513-I517 WeakPolarHBondContact O-CG1 3.36Å; K513-I517 PolarHBondContact O-N 2.75Å; S514-I517 PolarHBondContact O-N 2.82Å; I517-H519 VanDerWaalsContact C-N 3.3Å; I517-H519 PolarHBondContact O-N 3.02Å; I517-L520 PolarHBondContact O-N 3.42Å
518	I	87.5	Confident	87.7	Confident	61 Å²	61	71 Å²	71	31%	0.313	38%	0.376	S	S	.	.	H	α-helix	trans	-61.8	-42.4	175.3	-72.6	164.4	0	0	0	110.5	S514 L515 L516 R521 L540	S514-I518 VanDerWaalsContact O-CG1 3.3Å; S514-I518 WeakPolarHBondContact O-CG1 3.32Å; S514-I518 PolarHBondContact O-N 3.08Å; L515-I518 PolarHBondContact O-N 3.09Å; L516-I518 VanDerWaalsContact C-N 3.33Å; L516-I518 PolarHBondContact O-N 2.88Å; I518-R521 WeakPolarHBondContact O-CB 3.26Å; I518-R521 PolarHBondContact O-N 3.05Å; I518-L540 HydrophobicContact CB-CD2 4.46Å; I518-L540 HydrophobicContact CD1-CD2 3.94Å; I518-L540 HydrophobicContact CG1-CD2 3.97Å; I518-L540 HydrophobicContact CG2-CD2 3.65Å; I518-L540 HydrophobicContact CG2-CG 4.37Å
519	H	88.9	Confident	87.7	Confident	23 Å²	23	68.4 Å²	68.4	11%	0.106	36%	0.364	C	S	.	.	H	α-helix	trans	-65.8	-37.6	179.4	168.8	64.1	0	0	0	112.7	C506 F510 L515 L516 I517 R521 V522 H523	C506-H519 PolarHBondContact SG-NE2 3.2Å; F510-H519 HydrophobicContact CE1-CB 3.93Å; F510-H519 HydrophobicContact CE2-CB 3.91Å; F510-H519 AromaticContact CE2-CD2 3.35Å; F510-H519 WeakPolarHBondContact CE2-CD2 3.47Å; F510-H519 AromaticContact CE2-CG 3.66Å; F510-H519 HydrophobicContact CZ-CB 3.42Å; F510-H519 VanDerWaalsContact CZ-CB 3.42Å; F510-H519 AromaticContact CZ-CD2 3.38Å; F510-H519 WeakPolarHBondContact CZ-CD2 3.44Å; F510-H519 AromaticContact CZ-CG 3.2Å; F510-H519 AromaticContact CZ-ND1 3.79Å; F510-H519 AromaticContact CZ-NE2 3.99Å; L515-H519 VanDerWaalsContact O-CB 3.26Å; L515-H519 WeakPolarHBondContact O-CB 3.49Å; L515-H519 PolarHBondContact O-N 3.33Å; L516-H519 CarbonylContact O-C 3.52Å; L516-H519 WeakPolarHBondContact O-CA 3.46Å; L516-H519 WeakPolarHBondContact O-CB 3.23Å; L516-H519 PolarHBondContact O-N 2.92Å; L516-H519 VanDerWaalsContact O-N 3.08Å; I517-H519 VanDerWaalsContact C-N 3.3Å; I517-H519 PolarHBondContact O-N 3.02Å; H519-R521 PolarHBondContact O-N 3.19Å; H519-R521 VanDerWaalsContact O-N 3.12Å; H519-V522 VanDerWaalsContact O-CB 3.23Å; H519-V522 WeakPolarHBondContact O-CB 3.32Å; H519-V522 WeakPolarHBondContact O-CG2 3.39Å; H519-V522 PolarHBondContact O-N 3.15Å; H519-H523 AromaticContact CE1-NE2 3.53Å; H519-H523 AromaticContact NE2-CD2 3.82Å; H519-H523 AromaticContact NE2-NE2 3.27Å; H519-H523 PolarHBondContact NE2-NE2 3.26Å
520	L	87.6	Confident	87.6	Confident	60 Å²	60	71.4 Å²	71.4	31%	0.314	37%	0.374	S	S	.	.	H	α-helix	trans	-57.3	-27.2	175.4	-70.7	172.8	0	0	0	112.5	L516 I517 V522 H523 T524	L516-L520 HydrophobicContact CD1-CD2 4.47Å; L516-L520 HydrophobicContact CD1-CG 4.24Å; L516-L520 HydrophobicContact CG-CD1 4.41Å; L516-L520 WeakPolarHBondContact O-CG 3.45Å; L516-L520 PolarHBondContact O-N 3.4Å; I517-L520 PolarHBondContact O-N 3.42Å; L520-V522 PolarHBondContact O-N 3.16Å; L520-H523 WeakPolarHBondContact O-CB 3.49Å; L520-H523 PolarHBondContact O-N 3.25Å; L520-T524 PolarHBondContact O-N 2.93Å; L520-T524 PolarHBondContact O-OG1 3.2Å
521	R	89.4	Confident	87.6	Confident	44 Å²	44	69.6 Å²	69.6	17%	0.166	37%	0.366	C	S	.	.	H	α-helix	trans	-64.7	-20.5	173.7	-59	-179.3	-176.1	149	7.7	114	I518 H519 H523 G525 E526 S539	I518-R521 WeakPolarHBondContact O-CB 3.26Å; I518-R521 PolarHBondContact O-N 3.05Å; H519-R521 PolarHBondContact O-N 3.19Å; H519-R521 VanDerWaalsContact O-N 3.12Å; R521-H523 VanDerWaalsContact C-N 3.27Å; R521-G525 WeakPolarHBondContact O-CA 3.43Å; R521-G525 PolarHBondContact O-N 2.77Å; R521-E526 HydrophobicContact CG-CB 4.4Å; R521-S539 PolarHBondContact NH1-O 2.83Å
522	V	86.9	Confident	87.6	Confident	109 Å²	109	74.3 Å²	74.3	66%	0.661	39%	0.393	S	S	*	.	H	α-helix	trans	-69.7	-33	173.5	-178.4	0	0	0	0	110.4	H519 L520	H519-V522 VanDerWaalsContact O-CB 3.23Å; H519-V522 WeakPolarHBondContact O-CB 3.32Å; H519-V522 WeakPolarHBondContact O-CG2 3.39Å; H519-V522 PolarHBondContact O-N 3.15Å; L520-V522 PolarHBondContact O-N 3.16Å
523	H	86.6	Confident	87.4	Confident	67 Å²	67	76.8 Å²	76.8	31%	0.31	41%	0.405	S	S	.	.	H	α-helix	trans	-80.5	-48.1	178.9	-68.7	-68.9	0	0	0	112.1	E505 C506 H519 L520 R521 G525	E505-H523 WeakPolarHBondContact OE2-CB 3.4Å; E505-H523 IonicContact OE2-CD2 3.27Å; E505-H523 IonicContact OE2-CG 3.31Å; E505-H523 IonicContact OE2-ND1 3.9Å; E505-H523 PolarHBondContact OE2-ND1 3.14Å; C506-H523 PolarHBondContact SG-NE2 3.42Å; C506-H523 VanDerWaalsContact SG-NE2 3.36Å; H519-H523 AromaticContact CE1-NE2 3.53Å; H519-H523 AromaticContact NE2-CD2 3.82Å; H519-H523 AromaticContact NE2-NE2 3.27Å; H519-H523 PolarHBondContact NE2-NE2 3.26Å; L520-H523 WeakPolarHBondContact O-CB 3.49Å; L520-H523 PolarHBondContact O-N 3.25Å; R521-H523 VanDerWaalsContact C-N 3.27Å; H523-G525 VanDerWaalsContact C-N 3.28Å; H523-G525 PolarHBondContact O-N 2.85Å
524	T	85.8	Confident	87.3	Confident	79 Å²	79	73.6 Å²	73.6	49%	0.485	40%	0.398	S	S	.	.	H	α-helix	trans	-77.1	-15.4	-178.7	61.8	0	0	0	0	113.3	L520 E526	L520-T524 PolarHBondContact O-N 2.93Å; L520-T524 PolarHBondContact O-OG1 3.2Å; T524-E526 PolarHBondContact O-N 3.06Å; T524-E526 WeakPolarHBondContact OG1-CG 3.31Å; T524-E526 PolarHBondContact OG1-N 3.09Å
525	G	84.2	Confident	87.1	Confident	47 Å²	47	72.9 Å²	72.9	49%	0.485	40%	0.4	S	S	.	.			trans	70	5.7	-173.8	0	0	0	0	0	114.1	R521 H523 K527	R521-G525 WeakPolarHBondContact O-CA 3.43Å; R521-G525 PolarHBondContact O-N 2.77Å; H523-G525 VanDerWaalsContact C-N 3.28Å; H523-G525 PolarHBondContact O-N 2.85Å; G525-K527 PolarHBondContact O-N 3.38Å
526	E	85.5	Confident	86.9	Confident	113 Å²	113	77.2 Å²	77.2	53%	0.528	41%	0.412	S	S	.	.			trans	-60.2	126.6	-178.3	-77.3	-179.3	-177.4	0	0	112	R521 T524 P528	R521-E526 HydrophobicContact CG-CB 4.4Å; T524-E526 PolarHBondContact O-N 3.06Å; T524-E526 WeakPolarHBondContact OG1-CG 3.31Å; T524-E526 PolarHBondContact OG1-N 3.09Å; E526-P528 WeakPolarHBondContact O-CD 3.29Å
527	K	87.4	Confident	86.7	Confident	126 Å²	126	77.7 Å²	77.7	55%	0.548	42%	0.419	S	S	.	.			trans	-124.9	79	175.5	-66.3	-179.8	-170.8	174.7	0	110.3	G525 Y529 A537 F538	G525-K527 PolarHBondContact O-N 3.38Å; K527-Y529 PolarHBondContact O-N 3.42Å; K527-A537 HydrophobicContact CB-CB 3.61Å; K527-A537 HydrophobicContact CD-CB 4.23Å; K527-A537 WeakPolarHBondContact CD-O 3.25Å; K527-F538 CarbonylContact C-O 3.28Å; K527-F538 VanDerWaalsContact C-O 3.32Å; K527-F538 WeakPolarHBondContact CA-O 3.5Å
528	P	87.6	Confident	86.6	Confident	76 Å²	76	75.4 Å²	75.4	49%	0.494	41%	0.406	S	S	.	.			trans	-68.4	-9.4	-171.5	-20.6	33.5	0	0	0	115	E526	E526-P528 WeakPolarHBondContact O-CD 3.29Å
529	Y	88.4	Confident	86.5	Confident	73 Å²	73	74.5 Å²	74.5	29%	0.286	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	95.5	-172.2	-57.4	-75.6	0	0	0	110.1	K527 A537 F538 K541	K527-Y529 PolarHBondContact O-N 3.42Å; Y529-A537 CarbonylContact O-C 3.53Å; Y529-A537 WeakPolarHBondContact O-CA 3.47Å; Y529-F538 WeakPolarHBondContact CB-O 3.43Å; Y529-F538 PolarHBondContact N-O 3.41Å; Y529-F538 PolarHBondContact O-N 2.87Å; Y529-K541 HydrophobicContact CD1-CB 3.89Å; Y529-K541 HydrophobicContact CD1-CG 4.17Å; Y529-K541 HydrophobicContact CD2-CB 4.46Å; Y529-K541 HydrophobicContact CE1-CB 3.66Å; Y529-K541 HydrophobicContact CE1-CD 4.26Å; Y529-K541 HydrophobicContact CE1-CG 4.11Å; Y529-K541 HydrophobicContact CE2-CB 4.28Å; Y529-K541 HydrophobicContact CG-CB 4.27Å
530	E	88.6	Confident	86.2	Confident	125 Å²	125	75.4 Å²	75.4	58%	0.584	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93	139.5	178.7	-166.4	176.1	166.6	0	0	112.1
531	C	89.3	Confident	86.1	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	42%	0.422	C	S	.	.			trans	-80.8	119.4	170.4	-172	0	0	0	0	109.7	E533 G535 R536 L544	C531-E533 PolarHBondContact O-N 3.37Å; C531-G535 VanDerWaalsContact O-CA 3.24Å; C531-G535 WeakPolarHBondContact O-CA 3.43Å; C531-G535 PolarHBondContact O-N 3.21Å; C531-R536 WeakPolarHBondContact CB-O 3.45Å; C531-R536 PolarHBondContact N-O 3.46Å; C531-L544 HydrophobicContact CB-CD1 3.67Å
532	T	86.4	Confident	85.9	Confident	130 Å²	130	80 Å²	80	80%	0.798	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-22	179.3	50.7	0	0	0	0	113.5
533	E	83.8	Confident	85.8	Confident	117 Å²	117	79.1 Å²	79.1	55%	0.547	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-30.2	-176.2	-65	177.2	176.9	0	0	113.2	C531 H551	C531-E533 PolarHBondContact O-N 3.37Å; E533-H551 WeakPolarHBondContact OE2-CB 3.45Å; E533-H551 IonicContact OE2-CD2 3.16Å; E533-H551 PolarHBondContact OE2-CD2 3.48Å; E533-H551 IonicContact OE2-CG 3.04Å; E533-H551 IonicContact OE2-ND1 3.85Å
534	C	85.8	Confident	85.8	Confident	63 Å²	63	76.8 Å²	76.8	43%	0.426	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.8	5.5	-176.3	71.3	0	0	0	0	114.7	R536 H547 H551	C534-R536 PolarHBondContact O-N 3.21Å; C534-R536 VanDerWaalsContact O-N 3.09Å; C534-R536 VanDerWaalsContact SG-CB 3.54Å; C534-H547 PolarHBondContact SG-NE2 3.23Å; C534-H551 PolarHBondContact SG-NE2 3.21Å; C534-H551 VanDerWaalsContact SG-NE2 3.41Å
535	G	82.4	Confident	85.8	Confident	44 Å²	44	76.3 Å²	76.3	45%	0.454	41%	0.41	S	S	.	.			trans	67.5	4.9	180	0	0	0	0	0	114.7	C531 A537	C531-G535 VanDerWaalsContact O-CA 3.24Å; C531-G535 WeakPolarHBondContact O-CA 3.43Å; C531-G535 PolarHBondContact O-N 3.21Å; G535-A537 PolarHBondContact O-N 3.41Å
536	R	85.1	Confident	85.7	Confident	161 Å²	161	77.4 Å²	77.4	61%	0.608	40%	0.404	S	S	*	.			trans	-78.5	123	-175	-160.4	171.2	-173.1	174.8	2.7	110.8	C531 C534 F538	C531-R536 WeakPolarHBondContact CB-O 3.45Å; C531-R536 PolarHBondContact N-O 3.46Å; C534-R536 PolarHBondContact O-N 3.21Å; C534-R536 VanDerWaalsContact O-N 3.09Å; C534-R536 VanDerWaalsContact SG-CB 3.54Å; R536-F538 HydrophobicContact CB-CE2 4.15Å; R536-F538 HydrophobicContact CB-CZ 4.37Å; R536-F538 HydrophobicContact CG-CE2 4.22Å; R536-F538 HydrophobicContact CG-CZ 4.06Å; R536-F538 WeakPolarHBondContact O-CD2 3.29Å; R536-F538 VanDerWaalsContact O-CE2 3.28Å; R536-F538 WeakPolarHBondContact O-CE2 3.31Å
537	A	86.4	Confident	85.7	Confident	33 Å²	33	74 Å²	74	27%	0.273	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	146.2	179.7	0	0	0	0	0	113.4	K527 Y529 G535	K527-A537 HydrophobicContact CB-CB 3.61Å; K527-A537 HydrophobicContact CD-CB 4.23Å; K527-A537 WeakPolarHBondContact CD-O 3.25Å; Y529-A537 CarbonylContact O-C 3.53Å; Y529-A537 WeakPolarHBondContact O-CA 3.47Å; G535-A537 PolarHBondContact O-N 3.41Å
538	F	85.3	Confident	85.5	Confident	32 Å²	32	71.1 Å²	71.1	14%	0.14	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	148.3	-179.2	-59.9	-89.9	0	0	0	111.5	K527 Y529 R536 L540 H543 L544 H547	K527-F538 CarbonylContact C-O 3.28Å; K527-F538 VanDerWaalsContact C-O 3.32Å; K527-F538 WeakPolarHBondContact CA-O 3.5Å; Y529-F538 WeakPolarHBondContact CB-O 3.43Å; Y529-F538 PolarHBondContact N-O 3.41Å; Y529-F538 PolarHBondContact O-N 2.87Å; R536-F538 HydrophobicContact CB-CE2 4.15Å; R536-F538 HydrophobicContact CB-CZ 4.37Å; R536-F538 HydrophobicContact CG-CE2 4.22Å; R536-F538 HydrophobicContact CG-CZ 4.06Å; R536-F538 WeakPolarHBondContact O-CD2 3.29Å; R536-F538 VanDerWaalsContact O-CE2 3.28Å; R536-F538 WeakPolarHBondContact O-CE2 3.31Å; F538-L540 VanDerWaalsContact C-N 3.33Å; F538-H543 HydrophobicContact CB-CB 4.26Å; F538-H543 HydrophobicContact CD1-CB 3.82Å; F538-H543 HydrophobicContact CG-CB 4.26Å; F538-L544 HydrophobicContact CB-CB 4.42Å; F538-L544 HydrophobicContact CD2-CB 3.97Å; F538-L544 HydrophobicContact CD2-CD1 3.88Å; F538-L544 HydrophobicContact CE2-CD1 4.07Å; F538-L544 HydrophobicContact CG-CB 4.39Å; F538-H547 HydrophobicContact CE1-CB 4.12Å; F538-H547 HydrophobicContact CE2-CB 3.89Å; F538-H547 AromaticContact CE2-CD2 3.37Å; F538-H547 WeakPolarHBondContact CE2-CD2 3.35Å; F538-H547 AromaticContact CE2-CG 3.67Å; F538-H547 HydrophobicContact CZ-CB 3.48Å; F538-H547 VanDerWaalsContact CZ-CB 3.48Å; F538-H547 AromaticContact CZ-CD2 3.49Å; F538-H547 VanDerWaalsContact CZ-CD2 3.49Å; F538-H547 WeakPolarHBondContact CZ-CD2 3.37Å; F538-H547 AromaticContact CZ-CG 3.3Å; F538-H547 AromaticContact CZ-ND1 3.85Å
539	S	84.5	Confident	85.3	Confident	43 Å²	43	70.1 Å²	70.1	30%	0.301	36%	0.364	S	S	.	.	S	Bend	trans	-79.1	-16.2	176.5	57	0	0	0	0	113.5	R521	R521-S539 PolarHBondContact NH1-O 2.83Å
540	L	83.8	Confident	84.9	Confident	42 Å²	42	69.4 Å²	69.4	22%	0.22	38%	0.378	C	S	.	.	S	Bend	trans	-132.2	134.5	-178.1	-71.5	176.6	0	0	0	111.4	I518 F538 S542 H543 L544	I518-L540 HydrophobicContact CB-CD2 4.46Å; I518-L540 HydrophobicContact CD1-CD2 3.94Å; I518-L540 HydrophobicContact CG1-CD2 3.97Å; I518-L540 HydrophobicContact CG2-CD2 3.65Å; I518-L540 HydrophobicContact CG2-CG 4.37Å; F538-L540 VanDerWaalsContact C-N 3.33Å; L540-S542 VanDerWaalsContact C-N 3.27Å; L540-S542 PolarHBondContact O-N 3.47Å; L540-H543 HydrophobicContact CB-CB 4.44Å; L540-H543 WeakPolarHBondContact O-CB 3.42Å; L540-H543 PolarHBondContact O-N 2.95Å; L540-H543 VanDerWaalsContact O-N 3.1Å; L540-L544 PolarHBondContact O-N 3.46Å
541	K	86.1	Confident	84.5	Confident	128 Å²	128	67.3 Å²	67.3	56%	0.557	37%	0.368	S	S	*	.	H	α-helix	trans	-58.9	-36.6	176.8	-170.5	173.9	-179.5	173.9	0	112.9	Y529 H543 L544 I545	Y529-K541 HydrophobicContact CD1-CB 3.89Å; Y529-K541 HydrophobicContact CD1-CG 4.17Å; Y529-K541 HydrophobicContact CD2-CB 4.46Å; Y529-K541 HydrophobicContact CE1-CB 3.66Å; Y529-K541 HydrophobicContact CE1-CD 4.26Å; Y529-K541 HydrophobicContact CE1-CG 4.11Å; Y529-K541 HydrophobicContact CE2-CB 4.28Å; Y529-K541 HydrophobicContact CG-CB 4.27Å; K541-H543 VanDerWaalsContact C-N 3.27Å; K541-H543 PolarHBondContact O-N 3.09Å; K541-L544 PolarHBondContact O-N 3.25Å; K541-I545 HydrophobicContact CG-CD1 4.13Å; K541-I545 HydrophobicContact CG-CG1 4.49Å; K541-I545 WeakPolarHBondContact O-CG1 3.44Å; K541-I545 PolarHBondContact O-N 2.7Å
542	S	84.1	Confident	84.1	Confident	71 Å²	71	71.1 Å²	71.1	50%	0.497	39%	0.391	S	S	.	.	H	α-helix	trans	-62.2	-35.1	177.4	50.5	0	0	0	0	112.5	L540 L546	L540-S542 VanDerWaalsContact C-N 3.27Å; L540-S542 PolarHBondContact O-N 3.47Å; S542-L546 WeakPolarHBondContact O-CB 3.43Å; S542-L546 PolarHBondContact O-N 3.42Å
543	H	84.7	Confident	83.7	Confident	91 Å²	91	67.2 Å²	67.2	42%	0.421	38%	0.377	S	S	.	.	H	α-helix	trans	-71.8	-39.4	176.3	-64.5	174.8	0	0	0	111.2	F538 L540 K541 L546 H547	F538-H543 HydrophobicContact CB-CB 4.26Å; F538-H543 HydrophobicContact CD1-CB 3.82Å; F538-H543 HydrophobicContact CG-CB 4.26Å; L540-H543 HydrophobicContact CB-CB 4.44Å; L540-H543 WeakPolarHBondContact O-CB 3.42Å; L540-H543 PolarHBondContact O-N 2.95Å; L540-H543 VanDerWaalsContact O-N 3.1Å; K541-H543 VanDerWaalsContact C-N 3.27Å; K541-H543 PolarHBondContact O-N 3.09Å; H543-L546 PolarHBondContact O-N 3.26Å; H543-H547 VanDerWaalsContact O-CB 3.27Å; H543-H547 WeakPolarHBondContact O-CB 3.43Å; H543-H547 PolarHBondContact O-N 2.75Å
544	L	86.7	Confident	83.4	Confident	18 Å²	18	66.9 Å²	66.9	9%	0.094	38%	0.375	C	S	.	.	H	α-helix	trans	-59.2	-48.5	171.8	174.1	62.9	0	0	0	111.3	C531 F538 L540 K541 L546 H547 Q548	C531-L544 HydrophobicContact CB-CD1 3.67Å; F538-L544 HydrophobicContact CB-CB 4.42Å; F538-L544 HydrophobicContact CD2-CB 3.97Å; F538-L544 HydrophobicContact CD2-CD1 3.88Å; F538-L544 HydrophobicContact CE2-CD1 4.07Å; F538-L544 HydrophobicContact CG-CB 4.39Å; L540-L544 PolarHBondContact O-N 3.46Å; K541-L544 PolarHBondContact O-N 3.25Å; L544-L546 VanDerWaalsContact C-N 3.34Å; L544-L546 PolarHBondContact O-N 3.23Å; L544-H547 WeakPolarHBondContact O-CB 3.32Å; L544-H547 PolarHBondContact O-N 2.88Å; L544-H547 VanDerWaalsContact O-N 3.15Å; L544-Q548 HydrophobicContact CD1-CG 4.06Å; L544-Q548 HydrophobicContact CG-CG 4.4Å; L544-Q548 WeakPolarHBondContact O-CG 3.32Å; L544-Q548 PolarHBondContact O-N 3.15Å
545	I	85	Confident	83.2	Confident	69 Å²	69	68.7 Å²	68.7	35%	0.354	38%	0.376	S	S	.	.	H	α-helix	trans	-60.6	-43.8	178.6	-67	167.4	0	0	0	111.1	K541 H547 Q548 R549	K541-I545 HydrophobicContact CG-CD1 4.13Å; K541-I545 HydrophobicContact CG-CG1 4.49Å; K541-I545 WeakPolarHBondContact O-CG1 3.44Å; K541-I545 PolarHBondContact O-N 2.7Å; I545-H547 VanDerWaalsContact C-N 3.28Å; I545-H547 PolarHBondContact O-N 3.37Å; I545-Q548 PolarHBondContact O-N 3.05Å; I545-R549 WeakPolarHBondContact O-CG 3.49Å; I545-R549 PolarHBondContact O-N 2.84Å; I545-R549 VanDerWaalsContact O-N 3.11Å
546	L	83.8	Confident	83.3	Confident	70 Å²	70	70.2 Å²	70.2	37%	0.366	38%	0.378	S	S	.	.	H	α-helix	trans	-63	-38.2	177.3	-177.5	65.7	0	0	0	111.8	S542 H543 L544 C567	S542-L546 WeakPolarHBondContact O-CB 3.43Å; S542-L546 PolarHBondContact O-N 3.42Å; H543-L546 PolarHBondContact O-N 3.26Å; L544-L546 VanDerWaalsContact C-N 3.34Å; L544-L546 PolarHBondContact O-N 3.23Å; L546-C567 VanDerWaalsContact CD1-C 3.5Å; L546-C567 HydrophobicContact CD1-CB 4.1Å; L546-C567 VanDerWaalsContact CD1-O 3.27Å; L546-C567 WeakPolarHBondContact CD1-O 3.35Å
547	H	84.8	Confident	83.2	Confident	43 Å²	43	65.5 Å²	65.5	20%	0.199	36%	0.361	C	S	.	.	H	α-helix	trans	-67.9	-43.7	176.4	170.3	66.1	0	0	0	112.2	C534 F538 H543 L544 I545 R549 G550 H551	C534-H547 PolarHBondContact SG-NE2 3.23Å; F538-H547 HydrophobicContact CE1-CB 4.12Å; F538-H547 HydrophobicContact CE2-CB 3.89Å; F538-H547 AromaticContact CE2-CD2 3.37Å; F538-H547 WeakPolarHBondContact CE2-CD2 3.35Å; F538-H547 AromaticContact CE2-CG 3.67Å; F538-H547 HydrophobicContact CZ-CB 3.48Å; F538-H547 VanDerWaalsContact CZ-CB 3.48Å; F538-H547 AromaticContact CZ-CD2 3.49Å; F538-H547 VanDerWaalsContact CZ-CD2 3.49Å; F538-H547 WeakPolarHBondContact CZ-CD2 3.37Å; F538-H547 AromaticContact CZ-CG 3.3Å; F538-H547 AromaticContact CZ-ND1 3.85Å; H543-H547 VanDerWaalsContact O-CB 3.27Å; H543-H547 WeakPolarHBondContact O-CB 3.43Å; H543-H547 PolarHBondContact O-N 2.75Å; L544-H547 WeakPolarHBondContact O-CB 3.32Å; L544-H547 PolarHBondContact O-N 2.88Å; L544-H547 VanDerWaalsContact O-N 3.15Å; I545-H547 VanDerWaalsContact C-N 3.28Å; I545-H547 PolarHBondContact O-N 3.37Å; H547-R549 VanDerWaalsContact C-N 3.27Å; H547-R549 PolarHBondContact O-N 3.02Å; H547-G550 WeakPolarHBondContact O-CA 3.37Å; H547-G550 PolarHBondContact O-N 3.48Å; H547-H551 AromaticContact CD2-NE2 3.93Å; H547-H551 AromaticContact CE1-NE2 3.44Å; H547-H551 PolarHBondContact CE1-NE2 3.05Å; H547-H551 AromaticContact NE2-CD2 3.9Å; H547-H551 AromaticContact NE2-NE2 3.14Å; H547-H551 PolarHBondContact NE2-NE2 3.03Å; H547-H551 VanDerWaalsContact NE2-NE2 3.14Å
548	Q	82.7	Confident	83.1	Confident	64 Å²	64	70.2 Å²	70.2	30%	0.299	38%	0.377	S	S	.	.	H	α-helix	trans	-59.3	-36.7	175.9	-75.9	176.5	-39.1	0	0	112.4	L544 I545 G550 H551 T552	L544-Q548 HydrophobicContact CD1-CG 4.06Å; L544-Q548 HydrophobicContact CG-CG 4.4Å; L544-Q548 WeakPolarHBondContact O-CG 3.32Å; L544-Q548 PolarHBondContact O-N 3.15Å; I545-Q548 PolarHBondContact O-N 3.05Å; Q548-G550 PolarHBondContact O-N 3.43Å; Q548-H551 WeakPolarHBondContact O-CB 3.28Å; Q548-H551 PolarHBondContact O-N 2.84Å; Q548-T552 PolarHBondContact O-N 3.08Å; Q548-T552 VanDerWaalsContact O-N 3.1Å; Q548-T552 PolarHBondContact O-OG1 3.44Å
549	R	84.3	Confident	83	Confident	56 Å²	56	68.7 Å²	68.7	21%	0.211	37%	0.371	C	S	.	.	H	α-helix	trans	-60.7	-23.9	171.8	-70.7	172.7	-177.9	-162.1	-7.8	113.6	I545 H547 G553 E554 Y557 C567	I545-R549 WeakPolarHBondContact O-CG 3.49Å; I545-R549 PolarHBondContact O-N 2.84Å; I545-R549 VanDerWaalsContact O-N 3.11Å; H547-R549 VanDerWaalsContact C-N 3.27Å; H547-R549 PolarHBondContact O-N 3.02Å; R549-G553 CarbonylContact O-C 3.56Å; R549-G553 WeakPolarHBondContact O-CA 3.49Å; R549-G553 PolarHBondContact O-N 3.41Å; R549-E554 HydrophobicContact CB-CB 4.41Å; R549-E554 HydrophobicContact CG-CB 4.25Å; R549-E554 PolarHBondContact O-N 3.46Å; R549-Y557 VanDerWaalsContact NH1-CE2 3.25Å; R549-C567 HydrophobicContact CB-CB 4.13Å; R549-C567 WeakPolarHBondContact CD-O 3.37Å; R549-C567 PolarHBondContact NH1-O 3.26Å
550	G	79.2	Confident	82.8	Confident	57 Å²	57	72 Å²	72	59%	0.588	39%	0.393	S	S	*	.	H	α-helix	trans	-70.3	-32.4	172	0	0	0	0	0	112.9	H547 Q548	H547-G550 WeakPolarHBondContact O-CA 3.37Å; H547-G550 PolarHBondContact O-N 3.48Å; Q548-G550 PolarHBondContact O-N 3.43Å
551	H	81.3	Confident	82.5	Confident	82 Å²	82	75.9 Å²	75.9	38%	0.38	41%	0.411	S	S	.	.	H	α-helix	trans	-76.3	-42.5	175.5	-66.6	-61.6	0	0	0	112.2	E533 C534 H547 Q548 G553	E533-H551 WeakPolarHBondContact OE2-CB 3.45Å; E533-H551 IonicContact OE2-CD2 3.16Å; E533-H551 PolarHBondContact OE2-CD2 3.48Å; E533-H551 IonicContact OE2-CG 3.04Å; E533-H551 IonicContact OE2-ND1 3.85Å; C534-H551 PolarHBondContact SG-NE2 3.21Å; C534-H551 VanDerWaalsContact SG-NE2 3.41Å; H547-H551 AromaticContact CD2-NE2 3.93Å; H547-H551 AromaticContact CE1-NE2 3.44Å; H547-H551 PolarHBondContact CE1-NE2 3.05Å; H547-H551 AromaticContact NE2-CD2 3.9Å; H547-H551 AromaticContact NE2-NE2 3.14Å; H547-H551 PolarHBondContact NE2-NE2 3.03Å; H547-H551 VanDerWaalsContact NE2-NE2 3.14Å; Q548-H551 WeakPolarHBondContact O-CB 3.28Å; Q548-H551 PolarHBondContact O-N 2.84Å; H551-G553 VanDerWaalsContact C-N 3.29Å; H551-G553 PolarHBondContact O-N 3.44Å
552	T	79.6	Confident	82.2	Confident	79 Å²	79	72.1 Å²	72.1	49%	0.485	40%	0.399	S	S	.	.	H	α-helix	trans	-79.8	-11.8	179.8	62	0	0	0	0	113.6	Q548 E554	Q548-T552 PolarHBondContact O-N 3.08Å; Q548-T552 VanDerWaalsContact O-N 3.1Å; Q548-T552 PolarHBondContact O-OG1 3.44Å; T552-E554 PolarHBondContact O-N 3.41Å; T552-E554 WeakPolarHBondContact OG1-CG 3.46Å; T552-E554 PolarHBondContact OG1-N 3.15Å
553	G	77.5	Confident	81.9	Confident	49 Å²	49	70.6 Å²	70.6	51%	0.505	40%	0.395	S	S	.	.			trans	70.2	6	-173.8	0	0	0	0	0	114.2	R549 H551 K555	R549-G553 CarbonylContact O-C 3.56Å; R549-G553 WeakPolarHBondContact O-CA 3.49Å; R549-G553 PolarHBondContact O-N 3.41Å; H551-G553 VanDerWaalsContact C-N 3.29Å; H551-G553 PolarHBondContact O-N 3.44Å; G553-K555 PolarHBondContact O-N 3.09Å
554	E	78.4	Confident	81.5	Confident	109 Å²	109	69.7 Å²	69.7	51%	0.509	39%	0.39	S	S	.	.			trans	-61.7	119.1	179.7	-77.2	-177.8	-171.5	0	0	111.3	R549 T552 P556	R549-E554 HydrophobicContact CB-CB 4.41Å; R549-E554 HydrophobicContact CG-CB 4.25Å; R549-E554 PolarHBondContact O-N 3.46Å; T552-E554 PolarHBondContact O-N 3.41Å; T552-E554 WeakPolarHBondContact OG1-CG 3.46Å; T552-E554 PolarHBondContact OG1-N 3.15Å; E554-P556 WeakPolarHBondContact O-CD 3.48Å
555	K	82.6	Confident	81.3	Confident	101 Å²	101	70.5 Å²	70.5	44%	0.439	40%	0.4	S	S	.	.			trans	-122.2	75.5	176.5	-70	169.1	171.4	-173	0	110.8	G553 Y557 A565 F566	G553-K555 PolarHBondContact O-N 3.09Å; K555-Y557 PolarHBondContact O-N 3.34Å; K555-Y557 VanDerWaalsContact O-N 3.13Å; K555-A565 HydrophobicContact CB-CB 3.6Å; K555-A565 HydrophobicContact CD-CB 4.24Å; K555-A565 WeakPolarHBondContact CD-O 3.27Å; K555-F566 CarbonylContact C-O 3.28Å; K555-F566 WeakPolarHBondContact CA-O 3.4Å
556	P	83.4	Confident	81.1	Confident	76 Å²	76	69 Å²	69	49%	0.494	39%	0.391	S	S	.	.			trans	-71.9	-8.3	-172.7	-17.3	32.5	0	0	0	114.3	E554	E554-P556 WeakPolarHBondContact O-CD 3.48Å
557	Y	82.6	Confident	80.9	Confident	63 Å²	63	67.7 Å²	67.7	25%	0.247	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	93.1	-173.5	-60.1	-67.6	0	0	0	110	R549 K555 A565 F566 G568 K569	R549-Y557 VanDerWaalsContact NH1-CE2 3.25Å; K555-Y557 PolarHBondContact O-N 3.34Å; K555-Y557 VanDerWaalsContact O-N 3.13Å; Y557-A565 CarbonylContact O-C 3.26Å; Y557-A565 WeakPolarHBondContact O-CA 3.08Å; Y557-F566 WeakPolarHBondContact CB-O 3.35Å; Y557-F566 PolarHBondContact N-O 3.46Å; Y557-F566 PolarHBondContact O-N 3.45Å; Y557-G568 VanDerWaalsContact CD2-CA 3.5Å; Y557-K569 HydrophobicContact CD1-CG 3.78Å; Y557-K569 HydrophobicContact CD2-CG 4.38Å; Y557-K569 HydrophobicContact CE1-CD 3.98Å; Y557-K569 HydrophobicContact CE1-CG 3.35Å; Y557-K569 HydrophobicContact CE2-CG 3.95Å; Y557-K569 HydrophobicContact CG-CG 4.28Å; Y557-K569 VanDerWaalsContact CZ-CG 3.42Å; Y557-K569 WeakPolarHBondContact OH-CE 3.46Å
558	E	84.4	Confident	80.8	Confident	132 Å²	132	66 Å²	66	62%	0.617	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.8	138.3	176.9	-166.4	176.2	169.8	0	0	111.3
559	C	84.3	Confident	80.7	Confident	0 Å²	0	69 Å²	69	0%	0	39%	0.393	C	S	.	.			trans	-79.2	119.6	169.5	-172.2	0	0	0	0	110.4	E561 C562 G563 K564 L572 H579	C559-E561 PolarHBondContact O-N 2.85Å; C559-C562 PolarHBondContact O-N 3.1Å; C559-G563 VanDerWaalsContact O-CA 3.3Å; C559-G563 WeakPolarHBondContact O-CA 3.31Å; C559-G563 PolarHBondContact O-N 3.36Å; C559-K564 WeakPolarHBondContact CB-O 3.38Å; C559-K564 PolarHBondContact N-O 3.32Å; C559-L572 HydrophobicContact CB-CD1 3.66Å; C559-H579 PolarHBondContact SG-NE2 3.09Å
560	S	80.6	Confident	80.6	Confident	111 Å²	111	70.3 Å²	70.3	78%	0.776	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.8	177.5	50.9	0	0	0	0	114.3
561	E	76.8	Confident	80.6	Confident	125 Å²	125	70 Å²	70	58%	0.584	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-24.8	-175.4	-64.8	-179.8	-146.4	0	0	113.6	C559 H579	C559-E561 PolarHBondContact O-N 2.85Å; E561-H579 WeakPolarHBondContact OE2-CB 3.25Å; E561-H579 IonicContact OE2-CD2 3Å; E561-H579 PolarHBondContact OE2-CD2 3.22Å; E561-H579 VanDerWaalsContact OE2-CD2 3.27Å; E561-H579 IonicContact OE2-CG 3.73Å; E561-H579 IonicContact OE2-ND1 3.85Å
562	C	79.1	Confident	80.7	Confident	48 Å²	48	67 Å²	67	32%	0.324	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.3	1.5	-174.7	71.7	0	0	0	0	114.8	C559 K564 H575 H579	C559-C562 PolarHBondContact O-N 3.1Å; C562-K564 PolarHBondContact O-N 2.88Å; C562-K564 VanDerWaalsContact O-N 3.1Å; C562-K564 PolarHBondContact SG-N 3.36Å; C562-K564 VanDerWaalsContact SG-N 3.44Å; C562-H575 PolarHBondContact SG-NE2 3.36Å; C562-H579 VanDerWaalsContact SG-CE1 3.55Å
563	G	77.1	Confident	80.8	Confident	40 Å²	40	67.3 Å²	67.3	41%	0.412	38%	0.383	S	S	.	.			trans	69.1	0.8	-178.8	0	0	0	0	0	115.2	C559 A565	C559-G563 VanDerWaalsContact O-CA 3.3Å; C559-G563 WeakPolarHBondContact O-CA 3.31Å; C559-G563 PolarHBondContact O-N 3.36Å; G563-A565 PolarHBondContact O-N 3.27Å
564	K	77.6	Confident	80.9	Confident	72 Å²	72	70.3 Å²	70.3	31%	0.313	39%	0.386	S	S	.	.			trans	-68.5	125.7	179.2	-70.3	-171.7	-176.3	-171.7	0	110.5	C559 C562 F566 C643	C559-K564 WeakPolarHBondContact CB-O 3.38Å; C559-K564 PolarHBondContact N-O 3.32Å; C562-K564 PolarHBondContact O-N 2.88Å; C562-K564 VanDerWaalsContact O-N 3.1Å; C562-K564 PolarHBondContact SG-N 3.36Å; C562-K564 VanDerWaalsContact SG-N 3.44Å; K564-F566 HydrophobicContact CB-CE2 3.88Å; K564-F566 HydrophobicContact CB-CZ 4.05Å; K564-F566 WeakPolarHBondContact O-CD2 3.42Å; K564-F566 VanDerWaalsContact O-CE2 3.26Å; K564-F566 WeakPolarHBondContact O-CE2 3.43Å; K564-C643 WeakPolarHBondContact CE-O 3.43Å; K564-C643 PolarHBondContact NZ-O 3.28Å; K564-C643 PolarHBondContact NZ-OXT 3.36Å
565	A	82.1	Confident	81	Confident	35 Å²	35	66.2 Å²	66.2	29%	0.289	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	140.2	-178.7	0	0	0	0	0	112.5	K555 Y557 G563	K555-A565 HydrophobicContact CB-CB 3.6Å; K555-A565 HydrophobicContact CD-CB 4.24Å; K555-A565 WeakPolarHBondContact CD-O 3.27Å; Y557-A565 CarbonylContact O-C 3.26Å; Y557-A565 WeakPolarHBondContact O-CA 3.08Å; G563-A565 PolarHBondContact O-N 3.27Å
566	F	81.1	Confident	80.7	Confident	38 Å²	38	64.8 Å²	64.8	17%	0.167	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.6	-176.4	-59.2	-90.4	0	0	0	111.4	K555 Y557 K564 G568 P571 L572 H575	K555-F566 CarbonylContact C-O 3.28Å; K555-F566 WeakPolarHBondContact CA-O 3.4Å; Y557-F566 WeakPolarHBondContact CB-O 3.35Å; Y557-F566 PolarHBondContact N-O 3.46Å; Y557-F566 PolarHBondContact O-N 3.45Å; K564-F566 HydrophobicContact CB-CE2 3.88Å; K564-F566 HydrophobicContact CB-CZ 4.05Å; K564-F566 WeakPolarHBondContact O-CD2 3.42Å; K564-F566 VanDerWaalsContact O-CE2 3.26Å; K564-F566 WeakPolarHBondContact O-CE2 3.43Å; F566-G568 VanDerWaalsContact C-N 3.28Å; F566-G568 PolarHBondContact O-N 3.22Å; F566-P571 HydrophobicContact CB-CB 4.36Å; F566-P571 HydrophobicContact CD1-CB 3.78Å; F566-P571 HydrophobicContact CG-CB 4.32Å; F566-L572 HydrophobicContact CB-CB 4.29Å; F566-L572 HydrophobicContact CD2-CB 3.88Å; F566-L572 HydrophobicContact CD2-CD1 3.74Å; F566-L572 HydrophobicContact CD2-CG 4.42Å; F566-L572 HydrophobicContact CE2-CD1 3.93Å; F566-L572 HydrophobicContact CG-CB 4.22Å; F566-H575 HydrophobicContact CE1-CB 4.02Å; F566-H575 HydrophobicContact CE2-CB 3.88Å; F566-H575 AromaticContact CE2-CD2 3.42Å; F566-H575 VanDerWaalsContact CE2-CD2 3.42Å; F566-H575 WeakPolarHBondContact CE2-CD2 3.44Å; F566-H575 AromaticContact CE2-CG 3.68Å; F566-H575 HydrophobicContact CZ-CB 3.41Å; F566-H575 VanDerWaalsContact CZ-CB 3.41Å; F566-H575 AromaticContact CZ-CD2 3.46Å; F566-H575 VanDerWaalsContact CZ-CD2 3.46Å; F566-H575 WeakPolarHBondContact CZ-CD2 3.15Å; F566-H575 AromaticContact CZ-CG 3.25Å; F566-H575 AromaticContact CZ-ND1 3.86Å
567	C	79.5	Confident	80.5	Confident	42 Å²	42	69.1 Å²	69.1	28%	0.284	37%	0.373	S	S	.	.	S	Bend	trans	-74.9	-17.4	177.6	58	0	0	0	0	113.3	L546 R549	L546-C567 VanDerWaalsContact CD1-C 3.5Å; L546-C567 HydrophobicContact CD1-CB 4.1Å; L546-C567 VanDerWaalsContact CD1-O 3.27Å; L546-C567 WeakPolarHBondContact CD1-O 3.35Å; R549-C567 HydrophobicContact CB-CB 4.13Å; R549-C567 WeakPolarHBondContact CD-O 3.37Å; R549-C567 PolarHBondContact NH1-O 3.26Å
568	G	81.8	Confident	80	Confident	7 Å²	7	69 Å²	69	7%	0.072	38%	0.379	C	S	.	.	S	Bend	trans	-141.5	159.7	-178.1	0	0	0	0	0	114	Y557 F566 P571	Y557-G568 VanDerWaalsContact CD2-CA 3.5Å; F566-G568 VanDerWaalsContact C-N 3.28Å; F566-G568 PolarHBondContact O-N 3.22Å; G568-P571 WeakPolarHBondContact O-CD 3.28Å
569	K	81.4	Confident	79.4	Confident	127 Å²	127	63.4 Å²	63.4	55%	0.552	35%	0.353	S	S	*	.	H	α-helix	trans	-68.2	-38.5	177.8	-67	-172.2	177.5	-176.5	0	113.3	Y557 L572 I573	Y557-K569 HydrophobicContact CD1-CG 3.78Å; Y557-K569 HydrophobicContact CD2-CG 4.38Å; Y557-K569 HydrophobicContact CE1-CD 3.98Å; Y557-K569 HydrophobicContact CE1-CG 3.35Å; Y557-K569 HydrophobicContact CE2-CG 3.95Å; Y557-K569 HydrophobicContact CG-CG 4.28Å; Y557-K569 VanDerWaalsContact CZ-CG 3.42Å; Y557-K569 WeakPolarHBondContact OH-CE 3.46Å; K569-L572 PolarHBondContact O-N 3.3Å; K569-I573 WeakPolarHBondContact O-CG1 3.39Å; K569-I573 PolarHBondContact O-N 3.24Å
570	S	81.9	Confident	78.2	Confident	84 Å²	84	65.7 Å²	65.7	59%	0.587	37%	0.367	S	S	*	.	H	α-helix	trans	-64.1	-46.6	-176.1	-44.7	0	0	0	0	112.6	L572 I573 I574	S570-L572 VanDerWaalsContact C-N 3.33Å; S570-L572 PolarHBondContact O-N 3.4Å; S570-I573 PolarHBondContact O-N 3Å; S570-I574 VanDerWaalsContact O-CG1 3.31Å; S570-I574 WeakPolarHBondContact O-CG1 3.4Å; S570-I574 PolarHBondContact O-N 3.21Å
571	P	80.3	Confident	77	Confident	51 Å²	51	71.9 Å²	71.9	33%	0.331	37%	0.374	S	S	.	.	H	α-helix	trans	-58.2	-41.5	171.2	-25.5	35.1	0	0	0	113.3	F566 G568 I574 H575	F566-P571 HydrophobicContact CB-CB 4.36Å; F566-P571 HydrophobicContact CD1-CB 3.78Å; F566-P571 HydrophobicContact CG-CB 4.32Å; G568-P571 WeakPolarHBondContact O-CD 3.28Å; P571-I574 PolarHBondContact O-N 3.2Å; P571-H575 VanDerWaalsContact O-CB 3.29Å; P571-H575 WeakPolarHBondContact O-CB 3.47Å; P571-H575 PolarHBondContact O-N 3.21Å
572	L	82.8	Confident	76	Confident	18 Å²	18	75.7 Å²	75.7	9%	0.094	39%	0.391	C	S	.	.	H	α-helix	trans	-60.4	-46.9	175.2	173	64.5	0	0	0	111.6	C559 F566 K569 S570 I574 H575 Q576	C559-L572 HydrophobicContact CB-CD1 3.66Å; F566-L572 HydrophobicContact CB-CB 4.29Å; F566-L572 HydrophobicContact CD2-CB 3.88Å; F566-L572 HydrophobicContact CD2-CD1 3.74Å; F566-L572 HydrophobicContact CD2-CG 4.42Å; F566-L572 HydrophobicContact CE2-CD1 3.93Å; F566-L572 HydrophobicContact CG-CB 4.22Å; K569-L572 PolarHBondContact O-N 3.3Å; S570-L572 VanDerWaalsContact C-N 3.33Å; S570-L572 PolarHBondContact O-N 3.4Å; L572-I574 VanDerWaalsContact C-N 3.32Å; L572-I574 PolarHBondContact O-N 3.48Å; L572-H575 CarbonylContact O-C 3.57Å; L572-H575 WeakPolarHBondContact O-CB 3.29Å; L572-H575 PolarHBondContact O-N 3.18Å; L572-Q576 HydrophobicContact CD1-CG 3.96Å; L572-Q576 HydrophobicContact CG-CG 4.27Å; L572-Q576 WeakPolarHBondContact O-CB 3.48Å; L572-Q576 WeakPolarHBondContact O-CG 3.48Å; L572-Q576 PolarHBondContact O-N 3.07Å
573	I	81.9	Confident	74.9	Confident	85 Å²	85	82 Å²	82	44%	0.436	41%	0.413	S	S	.	.	H	α-helix	trans	-63.2	-40.1	179.6	-69.5	166.5	0	0	0	111.1	K569 S570 H575 Q576 K577	K569-I573 WeakPolarHBondContact O-CG1 3.39Å; K569-I573 PolarHBondContact O-N 3.24Å; S570-I573 PolarHBondContact O-N 3Å; I573-H575 VanDerWaalsContact C-N 3.34Å; I573-Q576 PolarHBondContact O-N 3.13Å; I573-K577 WeakPolarHBondContact O-CG 2.87Å; I573-K577 PolarHBondContact O-N 3.03Å
574	I	80.1	Confident	74.2	Confident	113 Å²	113	84 Å²	84	58%	0.579	42%	0.418	S	S	*	.	H	α-helix	trans	-64.5	-44	176	-66.8	165.5	0	0	0	109.7	S570 P571 L572 K577	S570-I574 VanDerWaalsContact O-CG1 3.31Å; S570-I574 WeakPolarHBondContact O-CG1 3.4Å; S570-I574 PolarHBondContact O-N 3.21Å; P571-I574 PolarHBondContact O-N 3.2Å; L572-I574 VanDerWaalsContact C-N 3.32Å; L572-I574 PolarHBondContact O-N 3.48Å; I574-K577 WeakPolarHBondContact O-CB 3.34Å; I574-K577 PolarHBondContact O-N 2.89Å
575	H	78.8	Confident	73.6	Confident	23 Å²	23	81.5 Å²	81.5	11%	0.106	41%	0.409	C	S	.	.	H	α-helix	trans	-63.1	-41.9	175.9	175	65.3	0	0	0	112.4	C562 F566 P571 L572 I573 K577 T578 H579	C562-H575 PolarHBondContact SG-NE2 3.36Å; F566-H575 HydrophobicContact CE1-CB 4.02Å; F566-H575 HydrophobicContact CE2-CB 3.88Å; F566-H575 AromaticContact CE2-CD2 3.42Å; F566-H575 VanDerWaalsContact CE2-CD2 3.42Å; F566-H575 WeakPolarHBondContact CE2-CD2 3.44Å; F566-H575 AromaticContact CE2-CG 3.68Å; F566-H575 HydrophobicContact CZ-CB 3.41Å; F566-H575 VanDerWaalsContact CZ-CB 3.41Å; F566-H575 AromaticContact CZ-CD2 3.46Å; F566-H575 VanDerWaalsContact CZ-CD2 3.46Å; F566-H575 WeakPolarHBondContact CZ-CD2 3.15Å; F566-H575 AromaticContact CZ-CG 3.25Å; F566-H575 AromaticContact CZ-ND1 3.86Å; P571-H575 VanDerWaalsContact O-CB 3.29Å; P571-H575 WeakPolarHBondContact O-CB 3.47Å; P571-H575 PolarHBondContact O-N 3.21Å; L572-H575 CarbonylContact O-C 3.57Å; L572-H575 WeakPolarHBondContact O-CB 3.29Å; L572-H575 PolarHBondContact O-N 3.18Å; I573-H575 VanDerWaalsContact C-N 3.34Å; H575-K577 PolarHBondContact O-N 3.36Å; H575-T578 WeakPolarHBondContact O-CA 3.47Å; H575-T578 VanDerWaalsContact O-CB 3.3Å; H575-T578 WeakPolarHBondContact O-CB 3.5Å; H575-T578 PolarHBondContact O-N 3.42Å; H575-T578 PolarHBondContact O-OG1 3.4Å; H575-H579 AromaticContact CD2-NE2 3.63Å; H575-H579 AromaticContact CE1-CE1 3.91Å; H575-H579 AromaticContact CE1-NE2 3.94Å; H575-H579 AromaticContact NE2-CE1 3.49Å; H575-H579 PolarHBondContact NE2-CE1 3.42Å; H575-H579 AromaticContact NE2-NE2 3.25Å; H575-H579 PolarHBondContact NE2-NE2 3.47Å
576	Q	77.7	Confident	73.1	Confident	70 Å²	70	85.5 Å²	85.5	33%	0.327	42%	0.422	S	S	.	.	H	α-helix	trans	-60	-33.5	178.1	-79.4	175.5	-31.1	0	0	112	L572 I573 T578 H579	L572-Q576 HydrophobicContact CD1-CG 3.96Å; L572-Q576 HydrophobicContact CG-CG 4.27Å; L572-Q576 WeakPolarHBondContact O-CB 3.48Å; L572-Q576 WeakPolarHBondContact O-CG 3.48Å; L572-Q576 PolarHBondContact O-N 3.07Å; I573-Q576 PolarHBondContact O-N 3.13Å; Q576-T578 PolarHBondContact O-N 2.97Å; Q576-H579 PolarHBondContact O-N 2.9Å
577	K	78.6	Confident	72.6	Confident	168 Å²	168	83.7 Å²	83.7	73%	0.73	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-12.8	173.5	-67.8	174.7	-178.9	-174.8	0	114	I573 I574 H575	I573-K577 WeakPolarHBondContact O-CG 2.87Å; I573-K577 PolarHBondContact O-N 3.03Å; I574-K577 WeakPolarHBondContact O-CB 3.34Å; I574-K577 PolarHBondContact O-N 2.89Å; H575-K577 PolarHBondContact O-N 3.36Å
578	T	72.3	Confident	72.2	Confident	60 Å²	60	86.4 Å²	86.4	37%	0.368	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-18.4	175.3	70.8	0	0	0	0	112.5	H575 Q576	H575-T578 WeakPolarHBondContact O-CA 3.47Å; H575-T578 VanDerWaalsContact O-CB 3.3Å; H575-T578 WeakPolarHBondContact O-CB 3.5Å; H575-T578 PolarHBondContact O-N 3.42Å; H575-T578 PolarHBondContact O-OG1 3.4Å; Q576-T578 PolarHBondContact O-N 2.97Å
579	H	71.3	Confident	71.5	Confident	15 Å²	15	91.6 Å²	91.6	7%	0.069	46%	0.462	C	S	.	.	S	Bend	trans	-69	134.6	170.8	-59.3	-62.6	0	0	0	110.3	C559 E561 C562 H575 Q576 R581 W596	C559-H579 PolarHBondContact SG-NE2 3.09Å; E561-H579 WeakPolarHBondContact OE2-CB 3.25Å; E561-H579 IonicContact OE2-CD2 3Å; E561-H579 PolarHBondContact OE2-CD2 3.22Å; E561-H579 VanDerWaalsContact OE2-CD2 3.27Å; E561-H579 IonicContact OE2-CG 3.73Å; E561-H579 IonicContact OE2-ND1 3.85Å; C562-H579 VanDerWaalsContact SG-CE1 3.55Å; H575-H579 AromaticContact CD2-NE2 3.63Å; H575-H579 AromaticContact CE1-CE1 3.91Å; H575-H579 AromaticContact CE1-NE2 3.94Å; H575-H579 AromaticContact NE2-CE1 3.49Å; H575-H579 PolarHBondContact NE2-CE1 3.42Å; H575-H579 AromaticContact NE2-NE2 3.25Å; H575-H579 PolarHBondContact NE2-NE2 3.47Å; Q576-H579 PolarHBondContact O-N 2.9Å; H579-R581 PolarHBondContact O-N 3.48Å; H579-W596 AromaticContact CE1-CH2 3.44Å; H579-W596 VanDerWaalsContact CE1-CH2 3.44Å; H579-W596 WeakPolarHBondContact CE1-CH2 3.47Å; H579-W596 AromaticContact CE1-CZ3 3.66Å; H579-W596 AromaticContact ND1-CH2 3.2Å; H579-W596 WeakPolarHBondContact ND1-CH2 3.42Å; H579-W596 AromaticContact ND1-CZ3 3.16Å; H579-W596 WeakPolarHBondContact ND1-CZ3 3.43Å
580	P	59.9	Low	71.1	Confident	48 Å²	48	87.5 Å²	87.5	31%	0.312	45%	0.449	S	S	.	.			trans	-65.4	126.9	176.1	27	-32.6	0	0	0	109.9	E582 F595	P580-E582 VanDerWaalsContact C-N 3.33Å; P580-E582 PolarHBondContact O-N 3.31Å; P580-F595 WeakPolarHBondContact CG-O 3.37Å
581	R	55.4	Low	70.7	Confident	240 Å²	240	85.5 Å²	85.5	91%	0.906	44%	0.441	S	S	*	.	S	Bend	trans	-73.6	90.3	163.9	-75.3	-178.5	172.9	-175.2	-5.1	108.1	H579 K583	H579-R581 PolarHBondContact O-N 3.48Å; R581-K583 PolarHBondContact O-N 3.36Å
582	E	55.9	Low	70.4	Confident	205 Å²	205	87.7 Å²	87.7	96%	0.958	45%	0.448	S	S	*	.	S	Bend	trans	54.5	-18.8	170.5	-71.1	177.8	164.5	0	0	118.8	P580	P580-E582 VanDerWaalsContact C-N 3.33Å; P580-E582 PolarHBondContact O-N 3.31Å
583	K	55.9	Low	69.7	Low	180 Å²	180	91 Å²	91	78%	0.783	47%	0.469	S	S	*	.	S	Bend	trans	-103.5	114	173	-72.2	-173.3	177.1	-174.6	0	109.6	R581 P585	R581-K583 PolarHBondContact O-N 3.36Å; K583-P585 WeakPolarHBondContact O-CD 3.28Å
584	T	61.7	Low	69	Low	83 Å²	83	88.3 Å²	88.3	51%	0.509	46%	0.455	S	S	.	.			trans	-59.5	122.2	168.5	45.1	0	0	0	0	109	E586	T584-E586 PolarHBondContact O-N 2.84Å
585	P	65.8	Low	67.9	Low	20 Å²	20	89.4 Å²	89.4	13%	0.13	46%	0.455	C	S	.	.			trans	-59.4	121.6	178	13.9	-25.2	0	0	0	111.3	K583 F594 K597 M600	K583-P585 WeakPolarHBondContact O-CD 3.28Å; P585-F594 WeakPolarHBondContact CD-O 2.92Å; P585-F594 HydrophobicContact CG-CB 4.44Å; P585-F594 WeakPolarHBondContact CG-O 3.22Å; P585-F594 PolarHBondContact O-N 3.25Å; P585-K597 HydrophobicContact CB-CB 4.44Å; P585-K597 HydrophobicContact CG-CB 4.15Å; P585-M600 HydrophobicContact CB-CB 4.17Å; P585-M600 HydrophobicContact CB-CG 4.41Å; P585-M600 HydrophobicContact CB-SD 3.62Å
586	E	70.8	Confident	67.1	Low	118 Å²	118	90.9 Å²	90.9	55%	0.551	46%	0.46	S	S	*	.	B	Isolated β-bridge	trans	-106.8	132.8	178.6	-170.6	-177.5	161.5	0	0	110.2	T584 A588 G591 M592 T593 M600	T584-E586 PolarHBondContact O-N 2.84Å; E586-A588 PolarHBondContact O-N 3.44Å; E586-G591 WeakPolarHBondContact OE1-CA 3.38Å; E586-M592 CarbonylContact C-O 3.39Å; E586-M592 WeakPolarHBondContact CA-O 3.32Å; E586-T593 HydrophobicContact CB-CG2 4.17Å; E586-T593 HydrophobicContact CG-CG2 4.03Å; E586-M600 VanDerWaalsContact O-SD 3.38Å
587	C	70.9	Confident	66.6	Low	0 Å²	0	94.1 Å²	94.1	0%	0	47%	0.473	C	S	.	.			trans	-74.6	109.9	174.7	175.8	0	0	0	0	110	E589 S590 G591 M592 F594 M600 Y603 Q604	C587-E589 PolarHBondContact O-N 3.05Å; C587-S590 VanDerWaalsContact CB-OG 3.26Å; C587-S590 WeakPolarHBondContact CB-OG 3.37Å; C587-S590 PolarHBondContact O-N 3.45Å; C587-S590 PolarHBondContact SG-OG 2.96Å; C587-G591 PolarHBondContact O-N 2.92Å; C587-M592 PolarHBondContact N-O 3.36Å; C587-F594 HydrophobicContact CB-CE2 3.97Å; C587-M600 HydrophobicContact CB-CG 4.22Å; C587-Y603 HydrophobicContact CB-CD1 4.37Å; C587-Y603 HydrophobicContact CB-CE1 4.48Å; C587-Q604 HydrophobicContact CB-CG 4.26Å; C587-Q604 WeakPolarHBondContact SG-CG 3.48Å
588	A	70.5	Confident	65.9	Low	99 Å²	99	89.6 Å²	89.6	82%	0.818	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-24.6	-178.7	0	0	0	0	0	115.1	E586	E586-A588 PolarHBondContact O-N 3.44Å
589	E	68.2	Low	65.6	Low	117 Å²	117	91 Å²	91	55%	0.547	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-22.2	179.4	-67.9	176.2	-172.1	0	0	114	C587 H607 T608	C587-E589 PolarHBondContact O-N 3.05Å; E589-H607 IonicContact OE2-CE1 3.91Å; E589-H607 IonicContact OE2-ND1 2.89Å; E589-H607 PolarHBondContact OE2-ND1 3.37Å; E589-T608 WeakPolarHBondContact OE2-CG2 3.4Å
590	S	72.5	Confident	65.7	Low	41 Å²	41	91.2 Å²	91.2	29%	0.287	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.6	-6.1	-170.6	64.6	0	0	0	0	114.6	C587 M592 Y603	C587-S590 VanDerWaalsContact CB-OG 3.26Å; C587-S590 WeakPolarHBondContact CB-OG 3.37Å; C587-S590 PolarHBondContact O-N 3.45Å; C587-S590 PolarHBondContact SG-OG 2.96Å; S590-M592 PolarHBondContact O-N 3.2Å; S590-Y603 VanDerWaalsContact OG-CE1 3.26Å; S590-Y603 WeakPolarHBondContact OG-CE1 3.46Å
591	G	73.6	Confident	66.1	Low	41 Å²	41	91.7 Å²	91.7	42%	0.423	47%	0.466	S	S	.	.			trans	65.5	1.4	-175.3	0	0	0	0	0	114.9	E586 C587 T593	E586-G591 WeakPolarHBondContact OE1-CA 3.38Å; C587-G591 PolarHBondContact O-N 2.92Å; G591-T593 PolarHBondContact O-N 2.92Å
592	M	73.8	Confident	66.8	Low	97 Å²	97	82.1 Å²	82.1	48%	0.478	43%	0.434	S	S	.	.			trans	-71.4	129.3	179.7	-77.1	-140	-167.5	0	0	111.3	E586 C587 S590 F594 Y603	E586-M592 CarbonylContact C-O 3.39Å; E586-M592 WeakPolarHBondContact CA-O 3.32Å; C587-M592 PolarHBondContact N-O 3.36Å; S590-M592 PolarHBondContact O-N 3.2Å; M592-F594 HydrophobicContact CB-CE2 3.63Å; M592-F594 HydrophobicContact CB-CZ 3.81Å; M592-F594 WeakPolarHBondContact O-CD2 3.28Å; M592-F594 VanDerWaalsContact O-CE2 3.23Å; M592-F594 WeakPolarHBondContact O-CE2 3.48Å; M592-F594 HydrophobicContact SD-CZ 4.5Å; M592-Y603 HydrophobicContact CE-CE2 4.45Å; M592-Y603 HydrophobicContact SD-CE2 4.17Å
593	T	68.5	Low	67.5	Low	87 Å²	87	75.5 Å²	75.5	53%	0.534	40%	0.401	S	S	.	.	B	Isolated β-bridge	trans	-91.5	138.6	174.1	56.7	0	0	0	0	110.6	E586 G591	E586-T593 HydrophobicContact CB-CG2 4.17Å; E586-T593 HydrophobicContact CG-CG2 4.03Å; G591-T593 PolarHBondContact O-N 2.92Å
594	F	67.5	Low	68.2	Low	30 Å²	30	69.3 Å²	69.3	13%	0.132	37%	0.374	C	S	.	.			trans	-121.8	145.3	-179.1	-64	-90.3	0	0	0	109.7	P585 C587 M592 W596 Q599 M600 Y603	P585-F594 WeakPolarHBondContact CD-O 2.92Å; P585-F594 HydrophobicContact CG-CB 4.44Å; P585-F594 WeakPolarHBondContact CG-O 3.22Å; P585-F594 PolarHBondContact O-N 3.25Å; C587-F594 HydrophobicContact CB-CE2 3.97Å; M592-F594 HydrophobicContact CB-CE2 3.63Å; M592-F594 HydrophobicContact CB-CZ 3.81Å; M592-F594 WeakPolarHBondContact O-CD2 3.28Å; M592-F594 VanDerWaalsContact O-CE2 3.23Å; M592-F594 WeakPolarHBondContact O-CE2 3.48Å; M592-F594 HydrophobicContact SD-CZ 4.5Å; F594-W596 VanDerWaalsContact C-N 3.33Å; F594-Q599 HydrophobicContact CB-CB 4.33Å; F594-Q599 HydrophobicContact CD1-CB 3.93Å; F594-Q599 HydrophobicContact CG-CB 4.46Å; F594-M600 HydrophobicContact CB-CB 3.91Å; F594-M600 HydrophobicContact CD2-CB 3.49Å; F594-M600 VanDerWaalsContact CD2-CB 3.49Å; F594-M600 HydrophobicContact CD2-CG 3.61Å; F594-M600 HydrophobicContact CE2-CB 4.23Å; F594-M600 HydrophobicContact CE2-CG 4.07Å; F594-M600 HydrophobicContact CG-CB 3.75Å; F594-M600 HydrophobicContact CG-CG 4.38Å; F594-Y603 HydrophobicContact CE1-CD1 4.47Å; F594-Y603 HydrophobicContact CE1-CD2 4.1Å; F594-Y603 AromaticContact CE1-CG 3.85Å; F594-Y603 HydrophobicContact CE1-CG 3.85Å; F594-Y603 AromaticContact CE2-CD1 3.92Å; F594-Y603 HydrophobicContact CE2-CD1 3.92Å; F594-Y603 HydrophobicContact CE2-CG 4.11Å; F594-Y603 VanDerWaalsContact CZ-CB 3.45Å; F594-Y603 AromaticContact CZ-CD1 3.46Å; F594-Y603 HydrophobicContact CZ-CD1 3.46Å; F594-Y603 VanDerWaalsContact CZ-CD1 3.46Å; F594-Y603 AromaticContact CZ-CD2 3.7Å; F594-Y603 HydrophobicContact CZ-CD2 3.7Å; F594-Y603 HydrophobicContact CZ-CE1 4.09Å; F594-Y603 HydrophobicContact CZ-CE2 4.28Å; F594-Y603 AromaticContact CZ-CG 3.24Å; F594-Y603 HydrophobicContact CZ-CG 3.24Å
595	F	55.9	Low	68.8	Low	135 Å²	135	69.5 Å²	69.5	59%	0.592	37%	0.366	S	S	*	.	S	Bend	trans	-72	-31.6	177.1	-163.7	-86.1	0	0	0	111.6	P580	P580-F595 WeakPolarHBondContact CG-O 3.37Å
596	W	63.4	Low	68.9	Low	54 Å²	54	78.3 Å²	78.3	21%	0.205	40%	0.397	C	S	.	.	S	Bend	trans	-122.1	138.2	179	-55.9	96.5	0	0	0	111.6	H579 F594 S598 Q599 M600	H579-W596 AromaticContact CE1-CH2 3.44Å; H579-W596 VanDerWaalsContact CE1-CH2 3.44Å; H579-W596 WeakPolarHBondContact CE1-CH2 3.47Å; H579-W596 AromaticContact CE1-CZ3 3.66Å; H579-W596 AromaticContact ND1-CH2 3.2Å; H579-W596 WeakPolarHBondContact ND1-CH2 3.42Å; H579-W596 AromaticContact ND1-CZ3 3.16Å; H579-W596 WeakPolarHBondContact ND1-CZ3 3.43Å; F594-W596 VanDerWaalsContact C-N 3.33Å; W596-S598 PolarHBondContact O-N 3.39Å; W596-Q599 HydrophobicContact CB-CB 4.4Å; W596-Q599 HydrophobicContact CB-CG 4.08Å; W596-Q599 WeakPolarHBondContact O-CB 3.27Å; W596-Q599 PolarHBondContact O-N 2.77Å; W596-M600 PolarHBondContact O-N 2.92Å
597	K	65.9	Low	68.8	Low	138 Å²	138	77.7 Å²	77.7	60%	0.6	39%	0.393	S	S	*	.	H	α-helix	trans	-61.3	-31.5	177.7	-169.9	174	-177.5	174.4	0	112.5	P585 M600 I601	P585-K597 HydrophobicContact CB-CB 4.44Å; P585-K597 HydrophobicContact CG-CB 4.15Å; K597-M600 HydrophobicContact CG-CE 4.42Å; K597-M600 PolarHBondContact O-N 3.27Å; K597-I601 HydrophobicContact CG-CD1 4.14Å; K597-I601 VanDerWaalsContact O-CG1 3.29Å; K597-I601 WeakPolarHBondContact O-CG1 3.42Å; K597-I601 PolarHBondContact O-N 3.33Å; K597-I601 VanDerWaalsContact O-N 3.07Å
598	S	63.3	Low	68.7	Low	73 Å²	73	80.9 Å²	80.9	51%	0.51	41%	0.413	S	S	.	.	H	α-helix	trans	-62.9	-40.4	173.9	50.4	0	0	0	0	112.2	W596 I601 T602	W596-S598 PolarHBondContact O-N 3.39Å; S598-I601 PolarHBondContact O-N 2.94Å; S598-T602 VanDerWaalsContact O-CG2 3.28Å; S598-T602 WeakPolarHBondContact O-CG2 3.3Å; S598-T602 PolarHBondContact O-N 3.05Å; S598-T602 PolarHBondContact O-OG1 3.02Å
599	Q	66.9	Low	68.5	Low	89 Å²	89	78.6 Å²	78.6	42%	0.416	40%	0.399	S	S	.	.	H	α-helix	trans	-65.1	-45.1	177	-70.5	176.4	-26.1	0	0	111.2	F594 W596 I601 T602 Y603	F594-Q599 HydrophobicContact CB-CB 4.33Å; F594-Q599 HydrophobicContact CD1-CB 3.93Å; F594-Q599 HydrophobicContact CG-CB 4.46Å; W596-Q599 HydrophobicContact CB-CB 4.4Å; W596-Q599 HydrophobicContact CB-CG 4.08Å; W596-Q599 WeakPolarHBondContact O-CB 3.27Å; W596-Q599 PolarHBondContact O-N 2.77Å; Q599-I601 PolarHBondContact O-N 3.36Å; Q599-T602 WeakPolarHBondContact CA-OG1 3.49Å; Q599-T602 PolarHBondContact O-N 3.08Å; Q599-T602 PolarHBondContact O-OG1 3.49Å; Q599-Y603 WeakPolarHBondContact O-CB 3.3Å; Q599-Y603 PolarHBondContact O-N 3.32Å
600	M	73.5	Confident	68.6	Low	20 Å²	20	78.3 Å²	78.3	10%	0.099	40%	0.397	C	S	.	.	H	α-helix	trans	-57.2	-48.5	175.2	-174	-159	72.3	0	0	112	P585 E586 C587 F594 W596 K597 T602 Y603 Q604	P585-M600 HydrophobicContact CB-CB 4.17Å; P585-M600 HydrophobicContact CB-CG 4.41Å; P585-M600 HydrophobicContact CB-SD 3.62Å; E586-M600 VanDerWaalsContact O-SD 3.38Å; C587-M600 HydrophobicContact CB-CG 4.22Å; F594-M600 HydrophobicContact CB-CB 3.91Å; F594-M600 HydrophobicContact CD2-CB 3.49Å; F594-M600 VanDerWaalsContact CD2-CB 3.49Å; F594-M600 HydrophobicContact CD2-CG 3.61Å; F594-M600 HydrophobicContact CE2-CB 4.23Å; F594-M600 HydrophobicContact CE2-CG 4.07Å; F594-M600 HydrophobicContact CG-CB 3.75Å; F594-M600 HydrophobicContact CG-CG 4.38Å; W596-M600 PolarHBondContact O-N 2.92Å; K597-M600 HydrophobicContact CG-CE 4.42Å; K597-M600 PolarHBondContact O-N 3.27Å; M600-T602 VanDerWaalsContact C-N 3.29Å; M600-T602 PolarHBondContact O-N 3.26Å; M600-Y603 PolarHBondContact O-N 3.29Å; M600-Q604 WeakPolarHBondContact O-CB 3.36Å; M600-Q604 WeakPolarHBondContact O-CG 3.23Å; M600-Q604 PolarHBondContact O-N 3.06Å
601	I	68.4	Low	68.7	Low	59 Å²	59	82.4 Å²	82.4	30%	0.303	41%	0.41	S	S	.	.	H	α-helix	trans	-61.5	-39.8	179.5	-68.3	166	0	0	0	110.8	K597 S598 Q599 R605	K597-I601 HydrophobicContact CG-CD1 4.14Å; K597-I601 VanDerWaalsContact O-CG1 3.29Å; K597-I601 WeakPolarHBondContact O-CG1 3.42Å; K597-I601 PolarHBondContact O-N 3.33Å; K597-I601 VanDerWaalsContact O-N 3.07Å; S598-I601 PolarHBondContact O-N 2.94Å; Q599-I601 PolarHBondContact O-N 3.36Å; I601-R605 WeakPolarHBondContact O-CG 3.5Å; I601-R605 PolarHBondContact O-N 3.41Å
602	T	68.9	Low	68.6	Low	39 Å²	39	83.9 Å²	83.9	24%	0.239	41%	0.412	C	S	.	.	H	α-helix	trans	-70.6	-34	178.3	56.1	0	0	0	0	113.1	S598 Q599 M600 R606 Q624	S598-T602 VanDerWaalsContact O-CG2 3.28Å; S598-T602 WeakPolarHBondContact O-CG2 3.3Å; S598-T602 PolarHBondContact O-N 3.05Å; S598-T602 PolarHBondContact O-OG1 3.02Å; Q599-T602 WeakPolarHBondContact CA-OG1 3.49Å; Q599-T602 PolarHBondContact O-N 3.08Å; Q599-T602 PolarHBondContact O-OG1 3.49Å; M600-T602 VanDerWaalsContact C-N 3.29Å; M600-T602 PolarHBondContact O-N 3.26Å; T602-R606 PolarHBondContact O-N 3.47Å; T602-Q624 HydrophobicContact CG2-CG 3.92Å
603	Y	72.3	Confident	68.5	Low	66 Å²	66	80.2 Å²	80.2	26%	0.259	40%	0.396	S	S	.	.	H	α-helix	trans	-67.7	-46.6	173.1	176.1	-89.8	0	0	0	111	C587 S590 M592 F594 Q599 M600 R605 R606 H607	C587-Y603 HydrophobicContact CB-CD1 4.37Å; C587-Y603 HydrophobicContact CB-CE1 4.48Å; S590-Y603 VanDerWaalsContact OG-CE1 3.26Å; S590-Y603 WeakPolarHBondContact OG-CE1 3.46Å; M592-Y603 HydrophobicContact CE-CE2 4.45Å; M592-Y603 HydrophobicContact SD-CE2 4.17Å; F594-Y603 HydrophobicContact CE1-CD1 4.47Å; F594-Y603 HydrophobicContact CE1-CD2 4.1Å; F594-Y603 AromaticContact CE1-CG 3.85Å; F594-Y603 HydrophobicContact CE1-CG 3.85Å; F594-Y603 AromaticContact CE2-CD1 3.92Å; F594-Y603 HydrophobicContact CE2-CD1 3.92Å; F594-Y603 HydrophobicContact CE2-CG 4.11Å; F594-Y603 VanDerWaalsContact CZ-CB 3.45Å; F594-Y603 AromaticContact CZ-CD1 3.46Å; F594-Y603 HydrophobicContact CZ-CD1 3.46Å; F594-Y603 VanDerWaalsContact CZ-CD1 3.46Å; F594-Y603 AromaticContact CZ-CD2 3.7Å; F594-Y603 HydrophobicContact CZ-CD2 3.7Å; F594-Y603 HydrophobicContact CZ-CE1 4.09Å; F594-Y603 HydrophobicContact CZ-CE2 4.28Å; F594-Y603 AromaticContact CZ-CG 3.24Å; F594-Y603 HydrophobicContact CZ-CG 3.24Å; Q599-Y603 WeakPolarHBondContact O-CB 3.3Å; Q599-Y603 PolarHBondContact O-N 3.32Å; M600-Y603 PolarHBondContact O-N 3.29Å; Y603-R605 PolarHBondContact O-N 2.93Å; Y603-R606 WeakPolarHBondContact O-CA 3.39Å; Y603-R606 WeakPolarHBondContact O-CB 3.28Å; Y603-R606 PolarHBondContact O-N 3.35Å; Y603-H607 WeakPolarHBondContact O-CB 3.45Å; Y603-H607 PolarHBondContact O-N 2.79Å
604	Q	69.5	Low	68.8	Low	50 Å²	50	84.5 Å²	84.5	23%	0.234	40%	0.403	C	S	.	.	H	α-helix	trans	-54.9	-49.4	174.8	-80.2	176.5	-29.3	0	0	111.9	C587 M600 R606 H607 T608	C587-Q604 HydrophobicContact CB-CG 4.26Å; C587-Q604 WeakPolarHBondContact SG-CG 3.48Å; M600-Q604 WeakPolarHBondContact O-CB 3.36Å; M600-Q604 WeakPolarHBondContact O-CG 3.23Å; M600-Q604 PolarHBondContact O-N 3.06Å; Q604-R606 PolarHBondContact O-N 3.02Å; Q604-H607 WeakPolarHBondContact O-CB 3.41Å; Q604-H607 PolarHBondContact O-N 2.73Å; Q604-T608 WeakPolarHBondContact O-CG2 3.23Å; Q604-T608 PolarHBondContact O-N 3.45Å; Q604-T608 PolarHBondContact O-OG1 3.44Å; Q604-T608 VanDerWaalsContact O-OG1 3.06Å
605	R	75.3	Confident	69	Low	86 Å²	86	83.2 Å²	83.2	33%	0.325	40%	0.397	S	S	.	.	H	α-helix	trans	-61.1	-28.9	176.5	-71.4	176.9	-173.4	179.2	2.3	113.7	I601 Y603 G609 E610 C623	I601-R605 WeakPolarHBondContact O-CG 3.5Å; I601-R605 PolarHBondContact O-N 3.41Å; Y603-R605 PolarHBondContact O-N 2.93Å; R605-G609 CarbonylContact O-C 3.51Å; R605-G609 PolarHBondContact O-N 3.26Å; R605-E610 PolarHBondContact O-N 3.22Å; R605-C623 PolarHBondContact NH1-O 3.16Å
606	R	68.2	Low	69.8	Low	206 Å²	206	82 Å²	82	78%	0.777	41%	0.405	S	S	*	.	H	α-helix	trans	-77.3	-35.1	176.5	-142.5	176.3	-168.4	163.4	1	111.2	T602 Y603 Q604	T602-R606 PolarHBondContact O-N 3.47Å; Y603-R606 WeakPolarHBondContact O-CA 3.39Å; Y603-R606 WeakPolarHBondContact O-CB 3.28Å; Y603-R606 PolarHBondContact O-N 3.35Å; Q604-R606 PolarHBondContact O-N 3.02Å
607	H	67.6	Low	70	Confident	105 Å²	105	86.1 Å²	86.1	49%	0.486	43%	0.432	S	S	.	.	H	α-helix	trans	-71.5	-45	177.1	-167.7	-99.5	0	0	0	112.1	E589 Y603 Q604 G609	E589-H607 IonicContact OE2-CE1 3.91Å; E589-H607 IonicContact OE2-ND1 2.89Å; E589-H607 PolarHBondContact OE2-ND1 3.37Å; Y603-H607 WeakPolarHBondContact O-CB 3.45Å; Y603-H607 PolarHBondContact O-N 2.79Å; Q604-H607 WeakPolarHBondContact O-CB 3.41Å; Q604-H607 PolarHBondContact O-N 2.73Å; H607-G609 VanDerWaalsContact C-N 3.3Å; H607-G609 PolarHBondContact O-N 3.3Å
608	T	68.3	Low	70.6	Confident	67 Å²	67	82.5 Å²	82.5	41%	0.411	42%	0.423	S	S	.	.	S	Bend	trans	-80.7	-6.6	179	61.5	0	0	0	0	113.8	E589 Q604 E610	E589-T608 WeakPolarHBondContact OE2-CG2 3.4Å; Q604-T608 WeakPolarHBondContact O-CG2 3.23Å; Q604-T608 PolarHBondContact O-N 3.45Å; Q604-T608 PolarHBondContact O-OG1 3.44Å; Q604-T608 VanDerWaalsContact O-OG1 3.06Å; T608-E610 PolarHBondContact O-N 3.2Å; T608-E610 WeakPolarHBondContact OG1-CB 3.34Å
609	G	67.1	Low	70.9	Confident	50 Å²	50	80.7 Å²	80.7	52%	0.515	42%	0.415	S	S	.	.			trans	71.5	8.6	-176.3	0	0	0	0	0	114.7	R605 H607 K611	R605-G609 CarbonylContact O-C 3.51Å; R605-G609 PolarHBondContact O-N 3.26Å; H607-G609 VanDerWaalsContact C-N 3.3Å; H607-G609 PolarHBondContact O-N 3.3Å; G609-K611 PolarHBondContact O-N 3.37Å
610	E	70	Confident	71.5	Confident	111 Å²	111	82.4 Å²	82.4	52%	0.519	42%	0.422	S	S	.	.			trans	-71.8	116.9	-174.9	-162.2	-174.4	176.2	0	0	111.9	R605 T608 P612	R605-E610 PolarHBondContact O-N 3.22Å; T608-E610 PolarHBondContact O-N 3.2Å; T608-E610 WeakPolarHBondContact OG1-CB 3.34Å; E610-P612 WeakPolarHBondContact O-CD 3.4Å
611	K	75.1	Confident	71.4	Confident	127 Å²	127	83.2 Å²	83.2	55%	0.552	43%	0.431	S	S	*	.			trans	-120.5	81.8	-178.9	-66.9	172.5	177	-178.5	0	110.8	G609 S613 A621 F622	G609-K611 PolarHBondContact O-N 3.37Å; K611-S613 VanDerWaalsContact C-N 3.31Å; K611-S613 PolarHBondContact O-N 3.35Å; K611-A621 HydrophobicContact CB-CB 3.55Å; K611-A621 HydrophobicContact CD-CB 3.86Å; K611-A621 WeakPolarHBondContact CD-O 3.33Å; K611-A621 HydrophobicContact CG-CB 4.33Å; K611-F622 CarbonylContact C-O 3.54Å
612	P	70.5	Confident	71.7	Confident	72 Å²	72	82.1 Å²	82.1	47%	0.468	42%	0.424	S	S	.	.			trans	-73.6	-16.5	-169.6	26.6	-34	0	0	0	114.5	E610	E610-P612 WeakPolarHBondContact O-CD 3.4Å
613	S	72.6	Confident	71.6	Confident	21 Å²	21	81.6 Å²	81.6	15%	0.147	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	110.9	-179.9	-59.6	0	0	0	0	110.3	K611 A621 F622	K611-S613 VanDerWaalsContact C-N 3.31Å; K611-S613 PolarHBondContact O-N 3.35Å; S613-A621 CarbonylContact O-C 3.56Å; S613-A621 WeakPolarHBondContact O-CA 3.46Å; S613-F622 PolarHBondContact N-O 2.91Å; S613-F622 PolarHBondContact O-N 3.21Å
614	R	75	Confident	71.2	Confident	177 Å²	177	80.9 Å²	80.9	67%	0.668	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.9	-179.9	-162.4	176.8	-162.1	-178.2	4.6	110.7	S616 G619 K620 A621 F628	R614-S616 PolarHBondContact O-N 3.43Å; R614-G619 WeakPolarHBondContact CG-O 3.27Å; R614-G619 PolarHBondContact NE-O 2.8Å; R614-G619 VanDerWaalsContact NE-O 3.11Å; R614-K620 WeakPolarHBondContact CA-O 3.32Å; R614-A621 HydrophobicContact CG-CB 4.3Å; R614-F628 WeakPolarHBondContact O-CE2 3.4Å
615	C	71.9	Confident	70.9	Confident	2 Å²	2	83.9 Å²	83.9	1%	0.014	44%	0.435	C	S	.	.			trans	-69.5	120	173.3	-178.8	0	0	0	0	109.5	D617 G619 K620 F622 F628	C615-D617 PolarHBondContact O-N 3.16Å; C615-G619 WeakPolarHBondContact O-CA 3.44Å; C615-G619 PolarHBondContact O-N 2.82Å; C615-K620 PolarHBondContact N-O 3.04Å; C615-F622 HydrophobicContact CB-CE2 4.29Å; C615-F628 HydrophobicContact CB-CE2 4.27Å
616	S	71.3	Confident	70.4	Confident	109 Å²	109	84.5 Å²	84.5	76%	0.762	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-32.2	177.3	-40.5	0	0	0	0	112.1	R614	R614-S616 PolarHBondContact O-N 3.43Å
617	D	69	Low	70.3	Confident	142 Å²	142	81.1 Å²	81.1	76%	0.759	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-34.9	-171.7	-49.2	-51.2	0	0	0	113.4	C615	C615-D617 PolarHBondContact O-N 3.16Å
618	C	78.1	Confident	70.3	Confident	62 Å²	62	77.3 Å²	77.3	42%	0.419	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	0.6	-177.5	77.9	0	0	0	0	114.3	K620 H631	C618-K620 PolarHBondContact O-N 3.4Å; C618-K620 VanDerWaalsContact SG-CB 3.58Å; C618-K620 VanDerWaalsContact SG-CG 3.57Å; C618-H631 PolarHBondContact SG-CE1 2.75Å; C618-H631 PolarHBondContact SG-NE2 3.17Å; C618-H631 VanDerWaalsContact SG-NE2 3.42Å
619	G	70.6	Confident	70.1	Confident	34 Å²	34	77 Å²	77	35%	0.351	42%	0.416	S	S	.	.			trans	71.2	-5	178.8	0	0	0	0	0	116	R614 C615 A621	R614-G619 WeakPolarHBondContact CG-O 3.27Å; R614-G619 PolarHBondContact NE-O 2.8Å; R614-G619 VanDerWaalsContact NE-O 3.11Å; C615-G619 WeakPolarHBondContact O-CA 3.44Å; C615-G619 PolarHBondContact O-N 2.82Å; G619-A621 PolarHBondContact O-N 3.26Å
620	K	77.8	Confident	70	Confident	126 Å²	126	77 Å²	77	55%	0.548	42%	0.415	S	S	.	.			trans	-64.9	132.4	-179.7	-70.9	179.6	-175.3	171.7	0	111	R614 C615 C618 F622	R614-K620 WeakPolarHBondContact CA-O 3.32Å; C615-K620 PolarHBondContact N-O 3.04Å; C618-K620 PolarHBondContact O-N 3.4Å; C618-K620 VanDerWaalsContact SG-CB 3.58Å; C618-K620 VanDerWaalsContact SG-CG 3.57Å; K620-F622 HydrophobicContact CB-CE2 3.79Å; K620-F622 HydrophobicContact CB-CZ 3.85Å; K620-F622 HydrophobicContact CD-CZ 4.5Å; K620-F622 WeakPolarHBondContact O-CE2 3.36Å
621	A	73.2	Confident	69.9	Low	36 Å²	36	74.6 Å²	74.6	30%	0.298	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	136.8	179.2	0	0	0	0	0	110.7	K611 S613 R614 G619	K611-A621 HydrophobicContact CB-CB 3.55Å; K611-A621 HydrophobicContact CD-CB 3.86Å; K611-A621 WeakPolarHBondContact CD-O 3.33Å; K611-A621 HydrophobicContact CG-CB 4.33Å; S613-A621 CarbonylContact O-C 3.56Å; S613-A621 WeakPolarHBondContact O-CA 3.46Å; R614-A621 HydrophobicContact CG-CB 4.3Å; G619-A621 PolarHBondContact O-N 3.26Å
622	F	74.3	Confident	69.4	Low	36 Å²	36	72.8 Å²	72.8	16%	0.158	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.9	-174	-59.3	-89.5	0	0	0	110.5	K611 S613 C615 K620 F628 H631	K611-F622 CarbonylContact C-O 3.54Å; S613-F622 PolarHBondContact N-O 2.91Å; S613-F622 PolarHBondContact O-N 3.21Å; C615-F622 HydrophobicContact CB-CE2 4.29Å; K620-F622 HydrophobicContact CB-CE2 3.79Å; K620-F622 HydrophobicContact CB-CZ 3.85Å; K620-F622 HydrophobicContact CD-CZ 4.5Å; K620-F622 WeakPolarHBondContact O-CE2 3.36Å; F622-F628 HydrophobicContact CB-CB 4.2Å; F622-F628 HydrophobicContact CD2-CB 4.01Å; F622-F628 HydrophobicContact CD2-CD2 4.02Å; F622-F628 HydrophobicContact CE2-CD2 4.46Å; F622-F628 HydrophobicContact CG-CB 4.22Å; F622-H631 HydrophobicContact CE1-CB 4.15Å; F622-H631 HydrophobicContact CE2-CB 4.08Å; F622-H631 AromaticContact CE2-CG 3.89Å; F622-H631 HydrophobicContact CZ-CB 3.61Å; F622-H631 AromaticContact CZ-CD2 3.44Å; F622-H631 VanDerWaalsContact CZ-CD2 3.44Å; F622-H631 WeakPolarHBondContact CZ-CD2 3.41Å; F622-H631 AromaticContact CZ-CG 3.41Å; F622-H631 VanDerWaalsContact CZ-CG 3.41Å
623	C	65.6	Low	68.8	Low	28 Å²	28	72.8 Å²	72.8	19%	0.189	39%	0.394	C	S	.	.	S	Bend	trans	-78.6	-19.3	177.3	56.7	0	0	0	0	113.3	R605	R605-C623 PolarHBondContact NH1-O 3.16Å
624	Q	64.6	Low	68	Low	52 Å²	52	76.4 Å²	76.4	24%	0.243	42%	0.417	C	S	.	.	S	Bend	trans	-129.7	141.3	175.7	-54.5	-178.8	2.8	0	0	111.5	T602 V626 Y627 F628	T602-Q624 HydrophobicContact CG2-CG 3.92Å; Q624-V626 VanDerWaalsContact C-N 3.25Å; Q624-V626 PolarHBondContact O-N 3.38Å; Q624-Y627 HydrophobicContact CB-CD2 3.68Å; Q624-Y627 HydrophobicContact CB-CE2 4.04Å; Q624-Y627 VanDerWaalsContact CD-CE2 3.48Å; Q624-Y627 HydrophobicContact CG-CD2 4.09Å; Q624-Y627 HydrophobicContact CG-CE2 4Å; Q624-Y627 PolarHBondContact O-N 3.31Å; Q624-F628 PolarHBondContact O-N 2.82Å
625	H	64.1	Low	66.6	Low	113 Å²	113	78.1 Å²	78.1	52%	0.523	43%	0.425	S	S	.	.	H	α-helix	trans	-66	-25.5	-179.9	-169.1	70	0	0	0	113.2	F628 T629	H625-F628 AromaticContact CE1-CD1 3.73Å; H625-F628 AromaticContact ND1-CD1 3.69Å; H625-F628 WeakPolarHBondContact O-CB 3.47Å; H625-F628 PolarHBondContact O-N 3.37Å; H625-T629 WeakPolarHBondContact NE2-CG2 3.36Å; H625-T629 WeakPolarHBondContact O-CG2 3.1Å; H625-T629 PolarHBondContact O-N 3.16Å; H625-T629 PolarHBondContact O-OG1 2.92Å
626	V	63	Low	65.2	Low	98 Å²	98	86.1 Å²	86.1	59%	0.594	46%	0.455	S	S	*	.	H	α-helix	trans	-66.5	-41.9	177	-176.4	0	0	0	0	111.2	Q624 F628 T629 G630	Q624-V626 VanDerWaalsContact C-N 3.25Å; Q624-V626 PolarHBondContact O-N 3.38Å; V626-F628 VanDerWaalsContact C-N 3.32Å; V626-F628 PolarHBondContact O-N 3.34Å; V626-T629 WeakPolarHBondContact CA-OG1 3.5Å; V626-T629 PolarHBondContact O-N 3.04Å; V626-T629 PolarHBondContact O-OG1 3.44Å; V626-G630 PolarHBondContact O-N 2.8Å
627	Y	67.6	Low	63.5	Low	135 Å²	135	89.9 Å²	89.9	53%	0.529	46%	0.457	S	S	.	.	H	α-helix	trans	-68.8	-32.6	174.7	-60	-54.8	0	0	0	112.4	Q624 H631	Q624-Y627 HydrophobicContact CB-CD2 3.68Å; Q624-Y627 HydrophobicContact CB-CE2 4.04Å; Q624-Y627 VanDerWaalsContact CD-CE2 3.48Å; Q624-Y627 HydrophobicContact CG-CD2 4.09Å; Q624-Y627 HydrophobicContact CG-CE2 4Å; Q624-Y627 PolarHBondContact O-N 3.31Å; Y627-H631 VanDerWaalsContact O-CB 3.23Å; Y627-H631 WeakPolarHBondContact O-CB 3.49Å; Y627-H631 PolarHBondContact O-N 3.24Å
628	F	66.5	Low	61.9	Low	25 Å²	25	90.5 Å²	90.5	11%	0.11	46%	0.461	C	S	.	.	H	α-helix	trans	-66.2	-46.8	173.9	169.9	-98.8	0	0	0	112.3	R614 C615 F622 Q624 H625 V626 H631 Q632	R614-F628 WeakPolarHBondContact O-CE2 3.4Å; C615-F628 HydrophobicContact CB-CE2 4.27Å; F622-F628 HydrophobicContact CB-CB 4.2Å; F622-F628 HydrophobicContact CD2-CB 4.01Å; F622-F628 HydrophobicContact CD2-CD2 4.02Å; F622-F628 HydrophobicContact CE2-CD2 4.46Å; F622-F628 HydrophobicContact CG-CB 4.22Å; Q624-F628 PolarHBondContact O-N 2.82Å; H625-F628 AromaticContact CE1-CD1 3.73Å; H625-F628 AromaticContact ND1-CD1 3.69Å; H625-F628 WeakPolarHBondContact O-CB 3.47Å; H625-F628 PolarHBondContact O-N 3.37Å; V626-F628 VanDerWaalsContact C-N 3.32Å; V626-F628 PolarHBondContact O-N 3.34Å; F628-H631 PolarHBondContact O-N 3.1Å; F628-Q632 HydrophobicContact CE1-CG 4.45Å; F628-Q632 HydrophobicContact CE2-CG 4.29Å; F628-Q632 HydrophobicContact CZ-CG 4.19Å; F628-Q632 VanDerWaalsContact CZ-NE2 3.27Å; F628-Q632 VanDerWaalsContact CZ-OE1 3.29Å; F628-Q632 PolarHBondContact O-N 2.82Å
629	T	65.1	Low	59.8	Low	62 Å²	62	91.7 Å²	91.7	38%	0.38	47%	0.466	S	S	.	.	H	α-helix	trans	-67.5	-37.3	178.6	47.5	0	0	0	0	112.5	H625 V626 Q632 N633	H625-T629 WeakPolarHBondContact NE2-CG2 3.36Å; H625-T629 WeakPolarHBondContact O-CG2 3.1Å; H625-T629 PolarHBondContact O-N 3.16Å; H625-T629 PolarHBondContact O-OG1 2.92Å; V626-T629 WeakPolarHBondContact CA-OG1 3.5Å; V626-T629 PolarHBondContact O-N 3.04Å; V626-T629 PolarHBondContact O-OG1 3.44Å; T629-Q632 PolarHBondContact O-N 3.11Å; T629-N633 PolarHBondContact O-N 3.49Å
630	G	63.9	Low	58	Low	48 Å²	48	97.3 Å²	97.3	50%	0.495	49%	0.487	S	S	.	.	H	α-helix	trans	-65.7	-36.3	170.8	0	0	0	0	0	113.1	V626	V626-G630 PolarHBondContact O-N 2.8Å
631	H	69.3	Low	55.7	Low	62 Å²	62	101.7 Å²	101.7	29%	0.287	50%	0.502	S	S	.	.	H	α-helix	trans	-68.6	-35.9	174.9	177.9	-76.3	0	0	0	112.7	C618 F622 Y627 F628 N633	C618-H631 PolarHBondContact SG-CE1 2.75Å; C618-H631 PolarHBondContact SG-NE2 3.17Å; C618-H631 VanDerWaalsContact SG-NE2 3.42Å; F622-H631 HydrophobicContact CE1-CB 4.15Å; F622-H631 HydrophobicContact CE2-CB 4.08Å; F622-H631 AromaticContact CE2-CG 3.89Å; F622-H631 HydrophobicContact CZ-CB 3.61Å; F622-H631 AromaticContact CZ-CD2 3.44Å; F622-H631 VanDerWaalsContact CZ-CD2 3.44Å; F622-H631 WeakPolarHBondContact CZ-CD2 3.41Å; F622-H631 AromaticContact CZ-CG 3.41Å; F622-H631 VanDerWaalsContact CZ-CG 3.41Å; Y627-H631 VanDerWaalsContact O-CB 3.23Å; Y627-H631 WeakPolarHBondContact O-CB 3.49Å; Y627-H631 PolarHBondContact O-N 3.24Å; F628-H631 PolarHBondContact O-N 3.1Å; H631-N633 VanDerWaalsContact C-N 3.31Å; H631-N633 PolarHBondContact O-N 2.98Å
632	Q	64.4	Low	53.8	Low	89 Å²	89	105.6 Å²	105.6	42%	0.416	52%	0.516	S	S	.	.	H	α-helix	trans	-75.2	-16.1	179	-77.1	-170.7	-44.4	0	0	114.2	F628 T629	F628-Q632 HydrophobicContact CE1-CG 4.45Å; F628-Q632 HydrophobicContact CE2-CG 4.29Å; F628-Q632 HydrophobicContact CZ-CG 4.19Å; F628-Q632 VanDerWaalsContact CZ-NE2 3.27Å; F628-Q632 VanDerWaalsContact CZ-OE1 3.29Å; F628-Q632 PolarHBondContact O-N 2.82Å; T629-Q632 PolarHBondContact O-N 3.11Å
633	N	57.7	Low	51.7	Low	72 Å²	72	110.9 Å²	110.9	39%	0.385	56%	0.556	S	S	.	*			trans	-138.6	83.7	-175.5	-157.6	-26.1	0	0	0	111.9	T629 H631 Y635 R636	T629-N633 PolarHBondContact O-N 3.49Å; H631-N633 VanDerWaalsContact C-N 3.31Å; H631-N633 PolarHBondContact O-N 2.98Å; N633-Y635 PolarHBondContact O-N 2.89Å; N633-R636 PolarHBondContact O-N 3.38Å
634	P	54.4	Low	51.1	Low	97 Å²	97	115 Å²	115	63%	0.63	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	-14.5	-177.7	-21	32.1	0	0	0	114.7
635	Y	46.1	Very low	50.3	Low	212 Å²	212	118.3 Å²	118.3	83%	0.831	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	0.3	-174.8	-68.2	-80.1	0	0	0	114.5	N633 K637	N633-Y635 PolarHBondContact O-N 2.89Å; Y635-K637 PolarHBondContact O-N 3.27Å
636	R	42.5	Very low	49.6	Very low	171 Å²	171	118.6 Å²	118.6	65%	0.645	60%	0.596	S	S	*	*			trans	-96	68.8	169.9	-86.2	-161.9	179.2	-170.2	3.8	111.5	N633 D638	N633-R636 PolarHBondContact O-N 3.38Å; R636-D638 PolarHBondContact O-N 3.41Å
637	K	35.5	Very low	48.8	Very low	187 Å²	187	119.8 Å²	119.8	81%	0.813	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-12.6	164	-85.6	-175.5	175	178.6	0	113.3	Y635	Y635-K637 PolarHBondContact O-N 3.27Å
638	D	35.7	Very low	47.6	Very low	156 Å²	156	118.9 Å²	118.9	83%	0.834	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110	33.8	-173.9	-60.5	-29.2	0	0	0	114.7	R636 L640	R636-D638 PolarHBondContact O-N 3.41Å; D638-L640 PolarHBondContact O-N 3.25Å
639	T	33.3	Very low	46.4	Very low	86 Å²	86	125.1 Å²	125.1	53%	0.528	63%	0.633	S	S	.	*	S	Bend	trans	-95.7	83.5	163	-18.3	0	0	0	0	108.4	Y641	T639-Y641 PolarHBondContact O-N 3.02Å; T639-Y641 VanDerWaalsContact O-N 3.1Å
640	L	33.1	Very low	45	Very low	152 Å²	152	129.6 Å²	129.6	80%	0.796	65%	0.651	S	S	*	*			trans	7.3	92	158.3	-87	144	0	0	0	114.2	D638 I642	D638-L640 PolarHBondContact O-N 3.25Å; L640-I642 PolarHBondContact O-N 2.9Å
641	Y	30.8	Very low	43.6	Very low	219 Å²	219	135.9 Å²	135.9	86%	0.859	66%	0.663	S	S	*	*			trans	-56.9	107.2	150.9	-79.4	-97.2	0	0	0	107.4	T639	T639-Y641 PolarHBondContact O-N 3.02Å; T639-Y641 VanDerWaalsContact O-N 3.1Å
642	I	33	Very low	41.4	Very low	117 Å²	117	142.1 Å²	142.1	60%	0.6	69%	0.694	S	S	*	*			trans	-104.8	104.5	152.9	-59.9	179.6	0	0	0	104.5	L640	L640-I642 PolarHBondContact O-N 2.9Å
643	C	30.6	Very low	39.3	Very low	147 Å²	147	146.9 Å²	146.9	99%	0.993	72%	0.719	S	S	*	*			trans	-56.2	0	177.2	-162.8	0	0	0	0	112.1	K564	K564-C643 WeakPolarHBondContact CE-O 3.43Å; K564-C643 PolarHBondContact NZ-O 3.28Å; K564-C643 PolarHBondContact NZ-OXT 3.36Å

Retrieved 643 of 643 residues in 354.1 ms (Link to these results)

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