A0A077YWW3_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077YWW3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 499 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	25.4	Very low	31.7	Very low	236 Å²	236	124.1 Å²	124.1	100%	1.163	76%	0.761	S	S	*	*				0	106.6	0	-71.5	176.4	-164.5	0	0	106.6	C3	M1-C3 PolarHBondContact O-N 3.37Å; M1-C3 VanDerWaalsContact O-N 3.11Å
2	N	22.8	Very low	34.7	Very low	175 Å²	175	115.5 Å²	115.5	94%	0.936	71%	0.709	S	S	*	*			trans	-66.6	105.1	-179.4	-87.1	-6.8	0	0	0	109.4	G4	N2-G4 PolarHBondContact O-N 3.2Å
3	C	22.1	Very low	37.8	Very low	124 Å²	124	114.7 Å²	114.7	84%	0.838	69%	0.692	S	S	*	*			trans	-84.9	101.5	162	-71.6	0	0	0	0	107.4	M1 L5	M1-C3 PolarHBondContact O-N 3.37Å; M1-C3 VanDerWaalsContact O-N 3.11Å; C3-L5 PolarHBondContact O-N 3.48Å
4	G	22.2	Very low	40.5	Very low	62 Å²	62	115.1 Å²	115.1	64%	0.639	70%	0.698	S	S	*	*			trans	-67.3	124	171.4	0	0	0	0	0	110.3	N2 T6	N2-G4 PolarHBondContact O-N 3.2Å; G4-T6 PolarHBondContact O-N 3.37Å
5	L	23.6	Very low	43.2	Very low	185 Å²	185	116.1 Å²	116.1	97%	0.969	70%	0.698	S	S	*	*			trans	-70.5	85.2	162.6	-72.9	160.7	0	0	0	107.9	C3	C3-L5 PolarHBondContact O-N 3.48Å
6	T	25.5	Very low	45.9	Very low	110 Å²	110	109.9 Å²	109.9	68%	0.675	66%	0.664	S	S	*	*			trans	-101.7	139.6	159.4	48.5	0	0	0	0	106.7	G4 I8	G4-T6 PolarHBondContact O-N 3.37Å; T6-I8 VanDerWaalsContact O-CG1 3.25Å; T6-I8 WeakPolarHBondContact O-CG1 3.44Å; T6-I8 PolarHBondContact O-N 2.79Å
7	G	25.7	Very low	48.6	Very low	91 Å²	91	113.1 Å²	113.1	94%	0.938	67%	0.666	S	S	*	*			trans	-57.9	97.3	-176.2	0	0	0	0	0	111.2
8	I	29.4	Very low	51.2	Low	147 Å²	147	110.4 Å²	110.4	75%	0.754	65%	0.648	S	S	*	*			trans	-85.7	118.2	173.6	-44.4	-171.8	0	0	0	105.7	T6 T10	T6-I8 VanDerWaalsContact O-CG1 3.25Å; T6-I8 WeakPolarHBondContact O-CG1 3.44Å; T6-I8 PolarHBondContact O-N 2.79Å; I8-T10 PolarHBondContact O-N 2.78Å
9	A	37.1	Very low	53.6	Low	53 Å²	53	108 Å²	108	44%	0.438	63%	0.634	S	S	.	*			trans	-38.7	137.9	158.6	0	0	0	0	0	109.4	L11	A9-L11 HydrophobicContact CB-CG 4.15Å; A9-L11 PolarHBondContact O-N 3Å
10	T	50.8	Low	55.8	Low	79 Å²	79	104.9 Å²	104.9	49%	0.485	61%	0.613	S	S	.	*			trans	-73	60.6	165.4	46.3	0	0	0	0	108.8	I8 T46 E65	I8-T10 PolarHBondContact O-N 2.78Å; T10-T46 VanDerWaalsContact O-CG2 3.31Å; T10-T46 WeakPolarHBondContact O-CG2 3.33Å; T10-E65 VanDerWaalsContact C-OE1 3.29Å; T10-E65 WeakPolarHBondContact CA-OE1 3.36Å; T10-E65 WeakPolarHBondContact CB-OE1 3.11Å; T10-E65 PolarHBondContact N-OE1 3.19Å; T10-E65 WeakPolarHBondContact OG1-CG 3.5Å; T10-E65 PolarHBondContact OG1-OE1 3.47Å
11	L	63.7	Low	57.7	Low	103 Å²	103	103.2 Å²	103.2	54%	0.539	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-58	137	157.8	-76.9	167.9	0	0	0	106.6	A9 H13	A9-L11 HydrophobicContact CB-CG 4.15Å; A9-L11 PolarHBondContact O-N 3Å; L11-H13 PolarHBondContact O-N 3.38Å
12	P	68.5	Low	61.1	Low	21 Å²	21	92.6 Å²	92.6	14%	0.136	55%	0.55	C	S	.	*	P	Polyproline II helix	trans	-54.9	139	178.8	21.7	-31.3	0	0	0	108.7	A16 F42 D44 T46 L48	P12-A16 HydrophobicContact CB-CB 4.17Å; P12-F42 HydrophobicContact CB-CB 4.15Å; P12-F42 HydrophobicContact CB-CD1 3.72Å; P12-F42 HydrophobicContact CB-CD2 3.93Å; P12-F42 HydrophobicContact CB-CE1 4.03Å; P12-F42 HydrophobicContact CB-CE2 4.24Å; P12-F42 HydrophobicContact CB-CG 3.66Å; P12-F42 HydrophobicContact CB-CZ 4.28Å; P12-F42 HydrophobicContact CG-CD1 4.13Å; P12-F42 HydrophobicContact CG-CD2 4.18Å; P12-F42 HydrophobicContact CG-CE1 3.91Å; P12-F42 HydrophobicContact CG-CE2 3.97Å; P12-F42 HydrophobicContact CG-CG 4.26Å; P12-F42 HydrophobicContact CG-CZ 3.83Å; P12-D44 VanDerWaalsContact CA-OD2 3.25Å; P12-D44 WeakPolarHBondContact CA-OD2 3.39Å; P12-T46 HydrophobicContact CB-CG2 4.46Å; P12-L48 HydrophobicContact CG-CD1 4.42Å
13	H	75.2	Confident	64.7	Low	105 Å²	105	89.6 Å²	89.6	49%	0.486	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-49.9	139.5	176.1	-170	-84.6	0	0	0	108.5	L11 D15 A16 D44	L11-H13 PolarHBondContact O-N 3.38Å; H13-D15 IonicContact CE1-OD2 2.67Å; H13-D15 PolarHBondContact CE1-OD2 3.06Å; H13-D15 PolarHBondContact ND1-N 2.96Å; H13-D15 IonicContact ND1-OD2 3.42Å; H13-D15 PolarHBondContact O-N 3.23Å; H13-A16 HydrophobicContact CB-CB 4.16Å; H13-A16 WeakPolarHBondContact O-CA 3.24Å; H13-A16 WeakPolarHBondContact O-CB 3.4Å; H13-A16 PolarHBondContact O-N 2.76Å; H13-D44 HydrophobicContact CB-CB 4.36Å; H13-D44 PolarHBondContact N-OD2 3.25Å
14	P	75.1	Confident	68.3	Low	120 Å²	120	84 Å²	84	78%	0.779	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-27.5	-174.3	13.4	-27.4	0	0	0	114.1
15	D	80.6	Confident	71.7	Confident	130 Å²	130	83.8 Å²	83.8	70%	0.695	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-0.8	175.8	-57.9	-48	0	0	0	114.6	H13 K17	H13-D15 IonicContact CE1-OD2 2.67Å; H13-D15 PolarHBondContact CE1-OD2 3.06Å; H13-D15 PolarHBondContact ND1-N 2.96Å; H13-D15 IonicContact ND1-OD2 3.42Å; H13-D15 PolarHBondContact O-N 3.23Å; D15-K17 PolarHBondContact O-N 3.47Å
16	A	86.2	Confident	75	Confident	18 Å²	18	75.3 Å²	75.3	15%	0.149	43%	0.426	C	S	.	.	P	Polyproline II helix	trans	-70.2	125.2	-178.5	0	0	0	0	0	110.5	P12 H13 F42 S43 D44	P12-A16 HydrophobicContact CB-CB 4.17Å; H13-A16 HydrophobicContact CB-CB 4.16Å; H13-A16 WeakPolarHBondContact O-CA 3.24Å; H13-A16 WeakPolarHBondContact O-CB 3.4Å; H13-A16 PolarHBondContact O-N 2.76Å; A16-F42 HydrophobicContact CB-CB 4.14Å; A16-F42 HydrophobicContact CB-CD1 4.35Å; A16-S43 WeakPolarHBondContact CA-OG 3.43Å; A16-D44 HydrophobicContact CB-CB 3.9Å
17	K	92.8	Very high	78.1	Confident	163 Å²	163	72.8 Å²	72.8	71%	0.709	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-91.4	146.2	179.8	-63.6	-176.8	-178.1	177.7	0	110.1	D15 V19 F42 S43	D15-K17 PolarHBondContact O-N 3.47Å; K17-V19 PolarHBondContact O-N 3.42Å; K17-F42 CarbonylContact O-C 3.59Å; K17-F42 WeakPolarHBondContact O-CA 3.44Å; K17-S43 PolarHBondContact N-OG 3.21Å; K17-S43 PolarHBondContact O-N 3.32Å
18	I	95	Very high	80.4	Confident	65 Å²	65	68.9 Å²	68.9	33%	0.333	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	124.3	170.3	-55	170.1	0	0	0	108.5	Q21 V40 F42 Y59	I18-Q21 HydrophobicContact CG2-CB 4.35Å; I18-Q21 HydrophobicContact CG2-CG 4.34Å; I18-V40 HydrophobicContact CD1-CG1 4.3Å; I18-V40 HydrophobicContact CG1-CG1 4.01Å; I18-V40 HydrophobicContact CG2-CG1 3.86Å; I18-F42 HydrophobicContact CG1-CD1 4.25Å; I18-F42 HydrophobicContact CG1-CE1 3.86Å; I18-F42 HydrophobicContact CG1-CZ 4.45Å; I18-Y59 WeakPolarHBondContact CD1-OH 3.4Å
19	V	96.5	Very high	82.3	Confident	65 Å²	65	65.7 Å²	65.7	39%	0.394	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	-42	176.2	178.2	0	0	0	0	110.6	K17 L41 A113 V117	K17-V19 PolarHBondContact O-N 3.42Å; V19-L41 HydrophobicContact CB-CD2 4.37Å; V19-L41 HydrophobicContact CB-CG 4.39Å; V19-L41 HydrophobicContact CG1-CD2 4.41Å; V19-L41 PolarHBondContact N-O 2.67Å; V19-A113 HydrophobicContact CG1-CB 4.38Å; V19-V117 HydrophobicContact CB-CG2 4.03Å; V19-V117 HydrophobicContact CG1-CG2 3.86Å; V19-V117 HydrophobicContact CG2-CG2 3.76Å
20	H	97.3	Very high	83.5	Confident	45 Å²	45	67.6 Å²	67.6	21%	0.208	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	153.8	178.4	-161.8	66.1	0	0	0	111.1	L41 W110 A113	H20-L41 HydrophobicContact CB-CB 4.49Å; H20-L41 PolarHBondContact N-O 3.22Å; H20-L41 PolarHBondContact O-N 2.81Å; H20-W110 AromaticContact CD2-CD2 3.49Å; H20-W110 VanDerWaalsContact CD2-CD2 3.49Å; H20-W110 AromaticContact CD2-CE2 3.57Å; H20-W110 AromaticContact CD2-CE3 3.69Å; H20-W110 AromaticContact CD2-CG 3.99Å; H20-W110 AromaticContact CD2-CZ2 3.88Å; H20-W110 AromaticContact CD2-CZ3 3.96Å; H20-W110 AromaticContact NE2-CD1 3.97Å; H20-W110 AromaticContact NE2-CE2 3.87Å; H20-W110 AromaticContact NE2-NE1 3.86Å; H20-A113 HydrophobicContact CB-CB 3.66Å
21	Q	96.9	Very high	84.2	Confident	71 Å²	71	64.6 Å²	64.6	33%	0.332	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	152	177.9	58.4	175.3	-33.7	0	0	111.3	I18 Y38 F39 V40	I18-Q21 HydrophobicContact CG2-CB 4.35Å; I18-Q21 HydrophobicContact CG2-CG 4.34Å; Q21-Y38 HydrophobicContact CB-CE1 4.05Å; Q21-Y38 PolarHBondContact OE1-OH 2.88Å; Q21-F39 CarbonylContact C-O 3.55Å; Q21-F39 WeakPolarHBondContact CA-O 3.39Å; Q21-F39 WeakPolarHBondContact CB-O 3.36Å; Q21-V40 HydrophobicContact CB-CB 4.48Å; Q21-V40 HydrophobicContact CB-CG1 4.37Å; Q21-V40 HydrophobicContact CB-CG2 4.24Å
22	G	97	Very high	84.8	Confident	12 Å²	12	65.4 Å²	65.4	12%	0.124	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.5	178.8	-177	0	0	0	0	0	113.2	Y38 F39	G22-Y38 CarbonylContact O-C 3.3Å; G22-F39 PolarHBondContact N-O 3.09Å; G22-F39 PolarHBondContact O-N 2.88Å
23	W	97.4	Very high	85.3	Confident	113 Å²	113	66.7 Å²	66.7	43%	0.428	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	134.6	177.9	-74	101.4	0	0	0	111	S36 Y38 R51	W23-S36 WeakPolarHBondContact CZ3-OG 3.22Å; W23-Y38 AromaticContact CD1-CD2 3.86Å; W23-Y38 AromaticContact CD2-CD2 3.97Å; W23-Y38 HydrophobicContact CD2-CD2 3.97Å; W23-Y38 AromaticContact CE2-CD2 3.71Å; W23-Y38 HydrophobicContact CG-CD2 4.07Å; W23-Y38 HydrophobicContact CZ2-CD2 4.25Å; W23-Y38 AromaticContact NE1-CD2 3.63Å; W23-R51 WeakPolarHBondContact CH2-O 3.05Å
24	L	97.1	Very high	85.8	Confident	5 Å²	5	63.9 Å²	63.9	3%	0.026	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	152.7	167.1	-69	170.3	0	0	0	109.8	R37 F39 F84 F99 A101 W110	L24-R37 PolarHBondContact N-O 3.31Å; L24-R37 PolarHBondContact O-N 3.4Å; L24-R37 VanDerWaalsContact O-O 3.12Å; L24-F39 HydrophobicContact CB-CD2 3.8Å; L24-F39 HydrophobicContact CB-CE2 4.13Å; L24-F39 HydrophobicContact CD1-CB 4.45Å; L24-F39 HydrophobicContact CD1-CD2 4.05Å; L24-F39 HydrophobicContact CD1-CG 4.4Å; L24-F39 HydrophobicContact CG-CD2 4.36Å; L24-F84 HydrophobicContact CD1-CE1 4.38Å; L24-F84 HydrophobicContact CD1-CZ 3.78Å; L24-F84 HydrophobicContact CD2-CE1 3.91Å; L24-F84 HydrophobicContact CD2-CZ 4.14Å; L24-F99 HydrophobicContact CD1-CB 4.41Å; L24-F99 HydrophobicContact CD1-CD1 4.09Å; L24-F99 HydrophobicContact CD1-CG 4.43Å; L24-A101 HydrophobicContact CD2-CB 3.99Å; L24-W110 HydrophobicContact CD1-CD2 3.72Å; L24-W110 HydrophobicContact CD1-CE3 4.13Å; L24-W110 HydrophobicContact CD1-CG 4.11Å; L24-W110 HydrophobicContact CD1-CH2 4.39Å; L24-W110 HydrophobicContact CD1-CZ2 3.98Å; L24-W110 HydrophobicContact CD1-CZ3 4.46Å; L24-W110 HydrophobicContact CD2-CD2 4.49Å; L24-W110 HydrophobicContact CD2-CG 4.18Å; L24-W110 HydrophobicContact CG-CD2 4.29Å; L24-W110 HydrophobicContact CG-CG 4.48Å; L24-W110 HydrophobicContact CG-CZ2 4.16Å
25	M	95.2	Very high	86.5	Confident	59 Å²	59	60 Å²	60	29%	0.291	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	112.9	163.4	-64.3	-67.5	-83.9	0	0	107.9	W34 R35 S36 F99 N100	M25-W34 HydrophobicContact CB-CE3 3.78Å; M25-W34 HydrophobicContact CB-CZ3 4.42Å; M25-W34 HydrophobicContact CE-CB 3.8Å; M25-W34 VanDerWaalsContact O-CZ3 3.3Å; M25-W34 WeakPolarHBondContact O-CZ3 3.26Å; M25-R35 CarbonylContact C-O 3.58Å; M25-R35 WeakPolarHBondContact CA-O 3.05Å; M25-S36 VanDerWaalsContact SD-CA 3.55Å; M25-F99 CarbonylContact O-C 3.59Å; M25-F99 WeakPolarHBondContact O-CA 3.44Å; M25-N100 HydrophobicContact CB-CB 4.05Å; M25-N100 PolarHBondContact N-O 3.46Å; M25-N100 PolarHBondContact O-N 3.11Å
26	K	92.6	Very high	87.1	Confident	6 Å²	6	56.3 Å²	56.3	3%	0.026	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	131.7	170	-171	-136.6	173.7	175.4	0	108.7	E29 W34 R35 F39 N64 F99 D332	K26-E29 WeakPolarHBondContact CE-OE1 3.47Å; K26-E29 IonicContact NZ-OE1 2.77Å; K26-E29 PolarHBondContact NZ-OE1 3.24Å; K26-W34 CarbonylContact O-C 3.52Å; K26-W34 WeakPolarHBondContact O-CA 3.48Å; K26-R35 PolarHBondContact N-O 3.5Å; K26-R35 PolarHBondContact O-N 2.8Å; K26-F39 HydrophobicContact CB-CE2 4.14Å; K26-F39 HydrophobicContact CB-CZ 4.09Å; K26-F39 HydrophobicContact CG-CZ 4.32Å; K26-N64 PolarHBondContact NZ-ND2 2.81Å; K26-F99 HydrophobicContact CB-CD1 4.45Å; K26-F99 HydrophobicContact CG-CD1 4.42Å; K26-F99 HydrophobicContact CG-CE1 4.14Å; K26-D332 IonicContact NZ-OD2 3.52Å
27	R	89.4	Confident	87.5	Confident	57 Å²	57	56.2 Å²	56.2	22%	0.215	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	130.4	164.7	-159.3	-179.8	-171.9	-177	3.9	108.9	K32 N33 W34 T98	R27-K32 PolarHBondContact NE-O 3.06Å; R27-N33 CarbonylContact C-O 3.5Å; R27-N33 VanDerWaalsContact CA-O 3.31Å; R27-N33 WeakPolarHBondContact CA-O 3.41Å; R27-W34 HydrophobicContact CB-CD2 4.26Å; R27-W34 HydrophobicContact CB-CE3 3.98Å; R27-W34 HydrophobicContact CB-CH2 4.17Å; R27-W34 HydrophobicContact CB-CZ2 4.41Å; R27-W34 HydrophobicContact CB-CZ3 3.91Å; R27-W34 HydrophobicContact CG-CD2 4.4Å; R27-W34 HydrophobicContact CG-CZ2 4.48Å; R27-T98 HydrophobicContact CB-CG2 4.25Å; R27-T98 PolarHBondContact N-O 2.84Å
28	G	74.7	Confident	87.6	Confident	10 Å²	10	49 Å²	49	10%	0.103	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-60.4	145.9	173	0	0	0	0	0	111.2	I31 N33	G28-I31 CarbonylContact C-O 3.6Å; G28-I31 VanDerWaalsContact C-O 3.31Å; G28-I31 WeakPolarHBondContact CA-O 3.48Å; G28-N33 PolarHBondContact N-O 3.3Å
29	E	69.2	Low	87.7	Confident	79 Å²	79	46 Å²	46	37%	0.369	22%	0.22	S	C	.	.	S	Bend	trans	-73.4	-45.2	-178.1	-80.1	155.1	-130.4	0	0	111.2	K26	K26-E29 WeakPolarHBondContact CE-OE1 3.47Å; K26-E29 IonicContact NZ-OE1 2.77Å; K26-E29 PolarHBondContact NZ-OE1 3.24Å
30	H	62.8	Low	87.6	Confident	93 Å²	93	42.9 Å²	42.9	43%	0.431	20%	0.201	S	C	.	.	S	Bend	trans	-93.1	-38.6	-177.8	-52.3	-72.1	0	0	0	112.4	F318	H30-F318 HydrophobicContact CB-CD1 3.66Å; H30-F318 HydrophobicContact CB-CD2 3.93Å; H30-F318 HydrophobicContact CB-CE1 3.48Å; H30-F318 VanDerWaalsContact CB-CE1 3.48Å; H30-F318 HydrophobicContact CB-CE2 3.73Å; H30-F318 HydrophobicContact CB-CG 3.89Å; H30-F318 HydrophobicContact CB-CZ 3.51Å; H30-F318 WeakPolarHBondContact CD2-CB 3.34Å; H30-F318 AromaticContact CD2-CD1 3.46Å; H30-F318 VanDerWaalsContact CD2-CD1 3.46Å; H30-F318 WeakPolarHBondContact CD2-CD1 3.23Å; H30-F318 AromaticContact CD2-CD2 3.79Å; H30-F318 AromaticContact CD2-CG 3.21Å; H30-F318 WeakPolarHBondContact CD2-CG 3.16Å; H30-F318 AromaticContact CE1-CD1 3.85Å; H30-F318 AromaticContact CG-CD1 3.21Å; H30-F318 AromaticContact CG-CD2 3.96Å; H30-F318 AromaticContact CG-CE1 3.57Å; H30-F318 AromaticContact CG-CG 3.44Å; H30-F318 VanDerWaalsContact CG-CG 3.44Å; H30-F318 AromaticContact ND1-CD1 3.49Å; H30-F318 WeakPolarHBondContact ND1-CD1 3.39Å; H30-F318 AromaticContact ND1-CE1 3.9Å; H30-F318 WeakPolarHBondContact NE2-CB 3.37Å; H30-F318 AromaticContact NE2-CD1 3.87Å; H30-F318 AromaticContact NE2-CG 3.79Å
31	I	65.5	Low	87.6	Confident	17 Å²	17	40.7 Å²	40.7	9%	0.087	19%	0.191	C	C	.	.	S	Bend	trans	-109.6	117.5	174.1	-50.9	-171.1	0	0	0	107.7	G28 N33 L330 F367	G28-I31 CarbonylContact C-O 3.6Å; G28-I31 VanDerWaalsContact C-O 3.31Å; G28-I31 WeakPolarHBondContact CA-O 3.48Å; I31-N33 HydrophobicContact CG2-CB 4.13Å; I31-N33 PolarHBondContact O-N 2.84Å; I31-N33 PolarHBondContact O-OD1 3.32Å; I31-L330 HydrophobicContact CD1-CB 3.44Å; I31-L330 VanDerWaalsContact CD1-CB 3.44Å; I31-L330 HydrophobicContact CD1-CD1 4.44Å; I31-L330 HydrophobicContact CD1-CD2 3.6Å; I31-L330 HydrophobicContact CD1-CG 3.99Å; I31-L330 WeakPolarHBondContact CD1-O 3.49Å; I31-L330 HydrophobicContact CG1-CD2 4.49Å; I31-F367 HydrophobicContact CB-CD2 4.27Å; I31-F367 HydrophobicContact CD1-CB 4.11Å; I31-F367 HydrophobicContact CD1-CD2 3.81Å; I31-F367 HydrophobicContact CD1-CE2 4.34Å; I31-F367 HydrophobicContact CD1-CG 3.91Å; I31-F367 HydrophobicContact CG1-CD2 3.64Å; I31-F367 HydrophobicContact CG1-CE2 3.83Å; I31-F367 HydrophobicContact CG1-CG 4.25Å; I31-F367 HydrophobicContact CG2-CD2 3.99Å
32	K	75.9	Confident	87.5	Confident	119 Å²	119	37.6 Å²	37.6	52%	0.517	18%	0.176	S	C	.	.			trans	-71.4	25.5	-174.3	-68.5	-171.9	-176.5	-179.7	0	114.3	R27	R27-K32 PolarHBondContact NE-O 3.06Å
33	N	78.6	Confident	87.4	Confident	48 Å²	48	38.7 Å²	38.7	26%	0.257	18%	0.182	S	C	.	.			trans	-79.8	159	173.7	71	1	0	0	0	111.5	R27 G28 I31 R35	R27-N33 CarbonylContact C-O 3.5Å; R27-N33 VanDerWaalsContact CA-O 3.31Å; R27-N33 WeakPolarHBondContact CA-O 3.41Å; G28-N33 PolarHBondContact N-O 3.3Å; I31-N33 HydrophobicContact CG2-CB 4.13Å; I31-N33 PolarHBondContact O-N 2.84Å; I31-N33 PolarHBondContact O-OD1 3.32Å; N33-R35 PolarHBondContact ND2-NH2 2.93Å; N33-R35 PolarHBondContact OD1-NE 2.8Å
34	W	87.1	Confident	87.1	Confident	47 Å²	47	35.2 Å²	35.2	18%	0.178	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.2	179.1	-67.3	90.8	0	0	0	110.1	M25 K26 R27 P79 K80 T83 T98 N100	M25-W34 HydrophobicContact CB-CE3 3.78Å; M25-W34 HydrophobicContact CB-CZ3 4.42Å; M25-W34 HydrophobicContact CE-CB 3.8Å; M25-W34 VanDerWaalsContact O-CZ3 3.3Å; M25-W34 WeakPolarHBondContact O-CZ3 3.26Å; K26-W34 CarbonylContact O-C 3.52Å; K26-W34 WeakPolarHBondContact O-CA 3.48Å; R27-W34 HydrophobicContact CB-CD2 4.26Å; R27-W34 HydrophobicContact CB-CE3 3.98Å; R27-W34 HydrophobicContact CB-CH2 4.17Å; R27-W34 HydrophobicContact CB-CZ2 4.41Å; R27-W34 HydrophobicContact CB-CZ3 3.91Å; R27-W34 HydrophobicContact CG-CD2 4.4Å; R27-W34 HydrophobicContact CG-CZ2 4.48Å; W34-P79 HydrophobicContact CZ2-CG 3.84Å; W34-K80 HydrophobicContact CZ2-CB 4.5Å; W34-K80 HydrophobicContact CZ2-CD 4.46Å; W34-K80 HydrophobicContact CZ2-CG 4.41Å; W34-T83 HydrophobicContact CH2-CG2 4.06Å; W34-T98 HydrophobicContact CH2-CG2 3.76Å; W34-T98 HydrophobicContact CZ2-CG2 4.48Å; W34-T98 HydrophobicContact CZ3-CG2 4.42Å; W34-N100 HydrophobicContact CE3-CB 3.84Å; W34-N100 HydrophobicContact CH2-CB 3.51Å; W34-N100 HydrophobicContact CZ2-CB 4.35Å; W34-N100 HydrophobicContact CZ3-CB 3.23Å
35	R	88.2	Confident	86.8	Confident	37 Å²	37	35 Å²	35	14%	0.14	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	130.6	180	-59.5	-176.9	-171.3	-112.8	-8.2	110.2	M25 K26 N33 L330 E331	M25-R35 CarbonylContact C-O 3.58Å; M25-R35 WeakPolarHBondContact CA-O 3.05Å; K26-R35 PolarHBondContact N-O 3.5Å; K26-R35 PolarHBondContact O-N 2.8Å; N33-R35 PolarHBondContact ND2-NH2 2.93Å; N33-R35 PolarHBondContact OD1-NE 2.8Å; R35-L330 PolarHBondContact NH2-O 3.09Å; R35-L330 VanDerWaalsContact NH2-O 3.07Å; R35-E331 VanDerWaalsContact NH1-C 3.31Å; R35-E331 PolarHBondContact NH1-O 3.13Å; R35-E331 VanDerWaalsContact NH2-CA 3.3Å
36	S	93.4	Very high	86.6	Confident	54 Å²	54	32.7 Å²	32.7	38%	0.378	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	130.9	173	-168	0	0	0	0	110	W23 M25	W23-S36 WeakPolarHBondContact CZ3-OG 3.22Å; M25-S36 VanDerWaalsContact SD-CA 3.55Å
37	R	94.1	Very high	86.7	Confident	16 Å²	16	32.6 Å²	32.6	6%	0.06	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	141.9	178.1	-65.7	-69	-178.6	-96.2	5.4	109.4	L24 F39 F50 N64	L24-R37 PolarHBondContact N-O 3.31Å; L24-R37 PolarHBondContact O-N 3.4Å; L24-R37 VanDerWaalsContact O-O 3.12Å; R37-F39 HydrophobicContact CB-CD2 3.92Å; R37-F39 HydrophobicContact CB-CE2 3.44Å; R37-F39 VanDerWaalsContact CB-CE2 3.44Å; R37-F39 HydrophobicContact CB-CZ 4.02Å; R37-F39 HydrophobicContact CG-CE2 4.28Å; R37-F50 CarbonylContact C-O 3.43Å; R37-F50 VanDerWaalsContact CA-O 3.25Å; R37-F50 WeakPolarHBondContact CA-O 3.19Å; R37-F50 WeakPolarHBondContact CD-O 3.31Å; R37-N64 WeakPolarHBondContact CG-OD1 3.37Å
38	Y	95.5	Very high	86.8	Confident	12 Å²	12	29.9 Å²	29.9	5%	0.047	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	111.7	171.7	-168	-86.3	0	0	0	108.2	Q21 G22 W23 V40 G49 F50 R53	Q21-Y38 HydrophobicContact CB-CE1 4.05Å; Q21-Y38 PolarHBondContact OE1-OH 2.88Å; G22-Y38 CarbonylContact O-C 3.3Å; W23-Y38 AromaticContact CD1-CD2 3.86Å; W23-Y38 AromaticContact CD2-CD2 3.97Å; W23-Y38 HydrophobicContact CD2-CD2 3.97Å; W23-Y38 AromaticContact CE2-CD2 3.71Å; W23-Y38 HydrophobicContact CG-CD2 4.07Å; W23-Y38 HydrophobicContact CZ2-CD2 4.25Å; W23-Y38 AromaticContact NE1-CD2 3.63Å; Y38-V40 HydrophobicContact CD1-CG2 4.08Å; Y38-V40 HydrophobicContact CE1-CG2 3.99Å; Y38-G49 CarbonylContact O-C 3.54Å; Y38-G49 WeakPolarHBondContact O-CA 3.46Å; Y38-F50 PolarHBondContact N-O 3.18Å; Y38-F50 WeakPolarHBondContact O-CD2 3.41Å; Y38-F50 PolarHBondContact O-N 3.37Å; Y38-R53 HydrophobicContact CD1-CB 4.29Å; Y38-R53 HydrophobicContact CD1-CG 4.15Å; Y38-R53 HydrophobicContact CD2-CB 3.94Å; Y38-R53 HydrophobicContact CD2-CG 4.2Å; Y38-R53 HydrophobicContact CE1-CB 4.44Å; Y38-R53 HydrophobicContact CE1-CG 3.83Å; Y38-R53 HydrophobicContact CE2-CB 4.1Å; Y38-R53 HydrophobicContact CE2-CG 3.89Å; Y38-R53 HydrophobicContact CG-CB 4.02Å; Y38-R53 HydrophobicContact CG-CG 4.3Å; Y38-R53 PolarHBondContact OH-NE 3.34Å
39	F	96.5	Very high	87.6	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	146.8	-178.8	-78.8	-87.3	0	0	0	112.1	Q21 G22 L24 K26 R37 L47 L48 G49 N64 F66 F99 W110	Q21-F39 CarbonylContact C-O 3.55Å; Q21-F39 WeakPolarHBondContact CA-O 3.39Å; Q21-F39 WeakPolarHBondContact CB-O 3.36Å; G22-F39 PolarHBondContact N-O 3.09Å; G22-F39 PolarHBondContact O-N 2.88Å; L24-F39 HydrophobicContact CB-CD2 3.8Å; L24-F39 HydrophobicContact CB-CE2 4.13Å; L24-F39 HydrophobicContact CD1-CB 4.45Å; L24-F39 HydrophobicContact CD1-CD2 4.05Å; L24-F39 HydrophobicContact CD1-CG 4.4Å; L24-F39 HydrophobicContact CG-CD2 4.36Å; K26-F39 HydrophobicContact CB-CE2 4.14Å; K26-F39 HydrophobicContact CB-CZ 4.09Å; K26-F39 HydrophobicContact CG-CZ 4.32Å; R37-F39 HydrophobicContact CB-CD2 3.92Å; R37-F39 HydrophobicContact CB-CE2 3.44Å; R37-F39 VanDerWaalsContact CB-CE2 3.44Å; R37-F39 HydrophobicContact CB-CZ 4.02Å; R37-F39 HydrophobicContact CG-CE2 4.28Å; F39-L47 HydrophobicContact CB-CD1 4.18Å; F39-L47 HydrophobicContact CD1-CD1 3.97Å; F39-L47 HydrophobicContact CD1-CG 4Å; F39-L47 HydrophobicContact CG-CD1 4.48Å; F39-L48 CarbonylContact C-O 3.21Å; F39-L48 WeakPolarHBondContact CA-O 3.49Å; F39-L48 VanDerWaalsContact CD1-O 3.27Å; F39-L48 WeakPolarHBondContact CD1-O 3.21Å; F39-G49 VanDerWaalsContact CD1-CA 3.48Å; F39-N64 HydrophobicContact CE1-CB 3.93Å; F39-N64 HydrophobicContact CZ-CB 4.16Å; F39-F66 HydrophobicContact CE1-CD2 4.17Å; F39-F66 AromaticContact CE1-CE2 3.77Å; F39-F66 HydrophobicContact CE1-CE2 3.77Å; F39-F66 HydrophobicContact CZ-CE2 4.22Å; F39-F99 AromaticContact CE1-CE1 3.93Å; F39-F99 HydrophobicContact CE1-CE1 3.93Å; F39-F99 HydrophobicContact CE2-CD1 4.18Å; F39-F99 AromaticContact CE2-CE1 3.95Å; F39-F99 HydrophobicContact CE2-CE1 3.95Å; F39-F99 HydrophobicContact CZ-CD1 4.26Å; F39-F99 AromaticContact CZ-CE1 3.59Å; F39-F99 HydrophobicContact CZ-CE1 3.59Å; F39-W110 HydrophobicContact CB-CH2 3.48Å; F39-W110 VanDerWaalsContact CB-CH2 3.48Å; F39-W110 HydrophobicContact CB-CZ2 4Å; F39-W110 HydrophobicContact CB-CZ3 4.2Å
40	V	96.3	Very high	88.6	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	117.8	175	-171	0	0	0	0	107.8	I18 Q21 Y38 F42 L47 L48 F50 P54 Y59	I18-V40 HydrophobicContact CD1-CG1 4.3Å; I18-V40 HydrophobicContact CG1-CG1 4.01Å; I18-V40 HydrophobicContact CG2-CG1 3.86Å; Q21-V40 HydrophobicContact CB-CB 4.48Å; Q21-V40 HydrophobicContact CB-CG1 4.37Å; Q21-V40 HydrophobicContact CB-CG2 4.24Å; Y38-V40 HydrophobicContact CD1-CG2 4.08Å; Y38-V40 HydrophobicContact CE1-CG2 3.99Å; V40-F42 HydrophobicContact CB-CE2 3.88Å; V40-F42 HydrophobicContact CB-CZ 4.32Å; V40-F42 HydrophobicContact CG1-CD2 4.14Å; V40-F42 HydrophobicContact CG1-CE1 4.28Å; V40-F42 HydrophobicContact CG1-CE2 3.48Å; V40-F42 VanDerWaalsContact CG1-CE2 3.48Å; V40-F42 HydrophobicContact CG1-CZ 3.56Å; V40-L47 WeakPolarHBondContact O-CA 3.36Å; V40-L48 PolarHBondContact N-O 3.06Å; V40-L48 PolarHBondContact O-N 2.85Å; V40-F50 HydrophobicContact CG2-CD2 4.34Å; V40-F50 HydrophobicContact CG2-CE2 4.06Å; V40-P54 HydrophobicContact CG2-CG 4.25Å; V40-Y59 HydrophobicContact CG1-CE1 4.26Å; V40-Y59 HydrophobicContact CG2-CE1 4.33Å
41	L	96.4	Very high	89.8	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	126.4	174.8	177.1	66.5	0	0	0	109.5	V19 H20 L47 V68 W110 A113 I114 V117	V19-L41 HydrophobicContact CB-CD2 4.37Å; V19-L41 HydrophobicContact CB-CG 4.39Å; V19-L41 HydrophobicContact CG1-CD2 4.41Å; V19-L41 PolarHBondContact N-O 2.67Å; H20-L41 HydrophobicContact CB-CB 4.49Å; H20-L41 PolarHBondContact N-O 3.22Å; H20-L41 PolarHBondContact O-N 2.81Å; L41-L47 HydrophobicContact CB-CD1 3.99Å; L41-L47 HydrophobicContact CD1-CB 4.21Å; L41-L47 HydrophobicContact CD1-CD1 4.28Å; L41-V68 HydrophobicContact CD1-CG1 4.25Å; L41-V68 HydrophobicContact CD1-CG2 3.81Å; L41-W110 HydrophobicContact CB-CZ3 4.21Å; L41-A113 HydrophobicContact CD2-CB 3.92Å; L41-I114 HydrophobicContact CD2-CG1 3.94Å; L41-V117 HydrophobicContact CD2-CG2 3.94Å; L41-V117 HydrophobicContact CG-CG2 4.23Å
42	F	95.2	Very high	90.9	Very high	5 Å²	5	34.5 Å²	34.5	2%	0.022	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	157.2	178.1	-66.3	-92.5	0	0	0	111.7	P12 A16 K17 I18 V40 D44 G45 T46 L48 Y59	P12-F42 HydrophobicContact CB-CB 4.15Å; P12-F42 HydrophobicContact CB-CD1 3.72Å; P12-F42 HydrophobicContact CB-CD2 3.93Å; P12-F42 HydrophobicContact CB-CE1 4.03Å; P12-F42 HydrophobicContact CB-CE2 4.24Å; P12-F42 HydrophobicContact CB-CG 3.66Å; P12-F42 HydrophobicContact CB-CZ 4.28Å; P12-F42 HydrophobicContact CG-CD1 4.13Å; P12-F42 HydrophobicContact CG-CD2 4.18Å; P12-F42 HydrophobicContact CG-CE1 3.91Å; P12-F42 HydrophobicContact CG-CE2 3.97Å; P12-F42 HydrophobicContact CG-CG 4.26Å; P12-F42 HydrophobicContact CG-CZ 3.83Å; A16-F42 HydrophobicContact CB-CB 4.14Å; A16-F42 HydrophobicContact CB-CD1 4.35Å; K17-F42 CarbonylContact O-C 3.59Å; K17-F42 WeakPolarHBondContact O-CA 3.44Å; I18-F42 HydrophobicContact CG1-CD1 4.25Å; I18-F42 HydrophobicContact CG1-CE1 3.86Å; I18-F42 HydrophobicContact CG1-CZ 4.45Å; V40-F42 HydrophobicContact CB-CE2 3.88Å; V40-F42 HydrophobicContact CB-CZ 4.32Å; V40-F42 HydrophobicContact CG1-CD2 4.14Å; V40-F42 HydrophobicContact CG1-CE1 4.28Å; V40-F42 HydrophobicContact CG1-CE2 3.48Å; V40-F42 VanDerWaalsContact CG1-CE2 3.48Å; V40-F42 HydrophobicContact CG1-CZ 3.56Å; F42-D44 WeakPolarHBondContact CB-OD1 3.43Å; F42-D44 PolarHBondContact O-N 3.32Å; F42-G45 PolarHBondContact O-N 3.03Å; F42-G45 VanDerWaalsContact O-N 3.12Å; F42-T46 PolarHBondContact N-O 3.43Å; F42-L48 HydrophobicContact CE2-CD1 3.92Å; F42-L48 HydrophobicContact CE2-CG 4.09Å; F42-Y59 HydrophobicContact CE1-CD2 4.11Å; F42-Y59 AromaticContact CE1-CE2 3.87Å; F42-Y59 HydrophobicContact CE1-CE2 3.87Å; F42-Y59 AromaticContact CZ-CD1 3.87Å; F42-Y59 HydrophobicContact CZ-CD1 3.87Å; F42-Y59 AromaticContact CZ-CD2 3.7Å; F42-Y59 HydrophobicContact CZ-CD2 3.7Å; F42-Y59 AromaticContact CZ-CE1 3.91Å; F42-Y59 HydrophobicContact CZ-CE1 3.91Å; F42-Y59 AromaticContact CZ-CE2 3.73Å; F42-Y59 HydrophobicContact CZ-CE2 3.73Å; F42-Y59 AromaticContact CZ-CG 3.78Å; F42-Y59 HydrophobicContact CZ-CG 3.78Å; F42-Y59 AromaticContact CZ-CZ 3.85Å
43	S	94.5	Very high	91.7	Very high	35 Å²	35	36.4 Å²	36.4	25%	0.245	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-16.5	-175.9	61.6	0	0	0	0	114.2	A16 K17 G45	A16-S43 WeakPolarHBondContact CA-OG 3.43Å; K17-S43 PolarHBondContact N-OG 3.21Å; K17-S43 PolarHBondContact O-N 3.32Å; S43-G45 VanDerWaalsContact C-N 3.27Å
44	D	90.4	Very high	92.2	Very high	41 Å²	41	35.2 Å²	35.2	22%	0.219	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-1	174.5	67	-13.5	0	0	0	113.1	P12 H13 A16 F42 T46 L121	P12-D44 VanDerWaalsContact CA-OD2 3.25Å; P12-D44 WeakPolarHBondContact CA-OD2 3.39Å; H13-D44 HydrophobicContact CB-CB 4.36Å; H13-D44 PolarHBondContact N-OD2 3.25Å; A16-D44 HydrophobicContact CB-CB 3.9Å; F42-D44 WeakPolarHBondContact CB-OD1 3.43Å; F42-D44 PolarHBondContact O-N 3.32Å; D44-T46 VanDerWaalsContact CG-OG1 3.24Å; D44-T46 VanDerWaalsContact OD1-CB 3.24Å; D44-T46 WeakPolarHBondContact OD1-CB 3.45Å; D44-T46 PolarHBondContact OD1-N 3.29Å; D44-T46 PolarHBondContact OD1-OG1 2.92Å; D44-T46 PolarHBondContact OD2-OG1 2.88Å; D44-L121 WeakPolarHBondContact O-CD1 3.41Å
45	G	91.9	Very high	92.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	93.2	-0.8	-177.9	0	0	0	0	0	114.3	F42 S43 L47 T67 V68	F42-G45 PolarHBondContact O-N 3.03Å; F42-G45 VanDerWaalsContact O-N 3.12Å; S43-G45 VanDerWaalsContact C-N 3.27Å; G45-L47 PolarHBondContact O-N 3.44Å; G45-T67 CarbonylContact O-C 3.43Å; G45-T67 WeakPolarHBondContact O-CA 3.37Å; G45-V68 WeakPolarHBondContact O-CG2 3.36Å; G45-V68 PolarHBondContact O-N 2.88Å
46	T	91.6	Very high	91.9	Very high	11 Å²	11	44.4 Å²	44.4	7%	0.067	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	127.7	175.8	-53.4	0	0	0	0	109.7	T10 P12 F42 D44 L48	T10-T46 VanDerWaalsContact O-CG2 3.31Å; T10-T46 WeakPolarHBondContact O-CG2 3.33Å; P12-T46 HydrophobicContact CB-CG2 4.46Å; F42-T46 PolarHBondContact N-O 3.43Å; D44-T46 VanDerWaalsContact CG-OG1 3.24Å; D44-T46 VanDerWaalsContact OD1-CB 3.24Å; D44-T46 WeakPolarHBondContact OD1-CB 3.45Å; D44-T46 PolarHBondContact OD1-N 3.29Å; D44-T46 PolarHBondContact OD1-OG1 2.92Å; D44-T46 PolarHBondContact OD2-OG1 2.88Å; T46-L48 HydrophobicContact CG2-CD2 3.58Å; T46-L48 HydrophobicContact CG2-CG 3.86Å
47	L	93.3	Very high	91.2	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	106.7	175.1	175.8	66.7	0	0	0	108.7	F39 V40 L41 G45 F66 V68 F99 W110	F39-L47 HydrophobicContact CB-CD1 4.18Å; F39-L47 HydrophobicContact CD1-CD1 3.97Å; F39-L47 HydrophobicContact CD1-CG 4Å; F39-L47 HydrophobicContact CG-CD1 4.48Å; V40-L47 WeakPolarHBondContact O-CA 3.36Å; L41-L47 HydrophobicContact CB-CD1 3.99Å; L41-L47 HydrophobicContact CD1-CB 4.21Å; L41-L47 HydrophobicContact CD1-CD1 4.28Å; G45-L47 PolarHBondContact O-N 3.44Å; L47-F66 HydrophobicContact CB-CB 4.26Å; L47-F66 HydrophobicContact CD2-CD2 4.18Å; L47-F66 HydrophobicContact CG-CD2 4.37Å; L47-F66 PolarHBondContact N-O 3.39Å; L47-F66 PolarHBondContact O-N 3.22Å; L47-V68 HydrophobicContact CB-CG1 3.99Å; L47-V68 HydrophobicContact CD2-CG1 4.02Å; L47-F99 HydrophobicContact CD2-CZ 4.27Å; L47-W110 HydrophobicContact CD1-CZ3 4Å
48	L	92.1	Very high	90.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	141.9	-178.5	-59	-171.9	0	0	0	110.9	P12 F39 V40 F42 T46 F50 P62 N64 E65	P12-L48 HydrophobicContact CG-CD1 4.42Å; F39-L48 CarbonylContact C-O 3.21Å; F39-L48 WeakPolarHBondContact CA-O 3.49Å; F39-L48 VanDerWaalsContact CD1-O 3.27Å; F39-L48 WeakPolarHBondContact CD1-O 3.21Å; V40-L48 PolarHBondContact N-O 3.06Å; V40-L48 PolarHBondContact O-N 2.85Å; F42-L48 HydrophobicContact CE2-CD1 3.92Å; F42-L48 HydrophobicContact CE2-CG 4.09Å; T46-L48 HydrophobicContact CG2-CD2 3.58Å; T46-L48 HydrophobicContact CG2-CG 3.86Å; L48-F50 HydrophobicContact CB-CD2 4.46Å; L48-F50 HydrophobicContact CB-CE2 3.52Å; L48-F50 HydrophobicContact CB-CZ 3.79Å; L48-F50 HydrophobicContact CD1-CE2 4.29Å; L48-F50 HydrophobicContact CD1-CZ 3.82Å; L48-F50 HydrophobicContact CG-CZ 4.48Å; L48-P62 HydrophobicContact CB-CB 4.09Å; L48-P62 HydrophobicContact CD1-CB 4.37Å; L48-P62 HydrophobicContact CD1-CG 4.39Å; L48-P62 HydrophobicContact CD2-CB 4.06Å; L48-P62 HydrophobicContact CD2-CG 3.96Å; L48-P62 HydrophobicContact CG-CB 4.4Å; L48-N64 CarbonylContact C-O 3.48Å; L48-N64 VanDerWaalsContact CA-O 3.27Å; L48-N64 WeakPolarHBondContact CA-O 3.31Å; L48-E65 HydrophobicContact CD2-CB 4.08Å; L48-E65 HydrophobicContact CD2-CG 3.76Å
49	G	91.3	Very high	90.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	132	175.4	0	0	0	0	0	112.1	Y38 F39 L63 N64	Y38-G49 CarbonylContact O-C 3.54Å; Y38-G49 WeakPolarHBondContact O-CA 3.46Å; F39-G49 VanDerWaalsContact CD1-CA 3.48Å; G49-L63 WeakPolarHBondContact O-CA 3.42Å; G49-L63 PolarHBondContact O-N 3.23Å; G49-N64 PolarHBondContact N-O 3.35Å; G49-N64 PolarHBondContact O-N 2.88Å
50	F	90.4	Very high	89.2	Confident	12 Å²	12	51.9 Å²	51.9	5%	0.053	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	153.5	-173	-59.1	-90.4	0	0	0	111.6	R37 Y38 V40 L48 Q52 P54 Y59 P62	R37-F50 CarbonylContact C-O 3.43Å; R37-F50 VanDerWaalsContact CA-O 3.25Å; R37-F50 WeakPolarHBondContact CA-O 3.19Å; R37-F50 WeakPolarHBondContact CD-O 3.31Å; Y38-F50 PolarHBondContact N-O 3.18Å; Y38-F50 WeakPolarHBondContact O-CD2 3.41Å; Y38-F50 PolarHBondContact O-N 3.37Å; V40-F50 HydrophobicContact CG2-CD2 4.34Å; V40-F50 HydrophobicContact CG2-CE2 4.06Å; L48-F50 HydrophobicContact CB-CD2 4.46Å; L48-F50 HydrophobicContact CB-CE2 3.52Å; L48-F50 HydrophobicContact CB-CZ 3.79Å; L48-F50 HydrophobicContact CD1-CE2 4.29Å; L48-F50 HydrophobicContact CD1-CZ 3.82Å; L48-F50 HydrophobicContact CG-CZ 4.48Å; F50-Q52 VanDerWaalsContact C-N 3.3Å; F50-Q52 WeakPolarHBondContact CB-O 3.34Å; F50-P54 HydrophobicContact CD1-CB 4.4Å; F50-P54 HydrophobicContact CD2-CB 4.48Å; F50-P54 HydrophobicContact CD2-CG 3.76Å; F50-P54 HydrophobicContact CE1-CB 4.45Å; F50-P54 HydrophobicContact CE2-CG 3.87Å; F50-P54 HydrophobicContact CG-CB 4.42Å; F50-P54 HydrophobicContact CG-CG 4.11Å; F50-P54 HydrophobicContact CZ-CG 4.3Å; F50-Y59 HydrophobicContact CE2-CD1 4.29Å; F50-Y59 HydrophobicContact CZ-CD1 4.09Å; F50-P62 HydrophobicContact CD1-CB 4.29Å; F50-P62 HydrophobicContact CE1-CB 3.75Å; F50-P62 HydrophobicContact CZ-CB 3.93Å
51	R	86.9	Confident	88.1	Confident	135 Å²	135	58 Å²	58	51%	0.509	32%	0.315	S	S	.	.	S	Bend	trans	-65.5	-36.5	174	-165.8	175.3	-87.8	-170.4	-8.4	111.9	W23 L63 N333	W23-R51 WeakPolarHBondContact CH2-O 3.05Å; R51-L63 HydrophobicContact CB-CD1 3.66Å; R51-L63 HydrophobicContact CG-CD1 4.36Å; R51-N333 PolarHBondContact NH2-ND2 2.97Å; R51-N333 PolarHBondContact NH2-OD1 2.74Å
52	Q	88.6	Confident	87.5	Confident	149 Å²	149	58.4 Å²	58.4	70%	0.696	32%	0.318	S	S	*	.	S	Bend	trans	-129.4	161.5	177.7	-61.5	-174.9	15.6	0	0	108.9	F50 P54	F50-Q52 VanDerWaalsContact C-N 3.3Å; F50-Q52 WeakPolarHBondContact CB-O 3.34Å; Q52-P54 WeakPolarHBondContact O-CD 3.46Å
53	R	93.1	Very high	86.6	Confident	159 Å²	159	59.7 Å²	59.7	60%	0.6	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-61.4	120.5	175	178.7	173.8	-176.5	171.3	4.5	109.3	Y38	Y38-R53 HydrophobicContact CD1-CB 4.29Å; Y38-R53 HydrophobicContact CD1-CG 4.15Å; Y38-R53 HydrophobicContact CD2-CB 3.94Å; Y38-R53 HydrophobicContact CD2-CG 4.2Å; Y38-R53 HydrophobicContact CE1-CB 4.44Å; Y38-R53 HydrophobicContact CE1-CG 3.83Å; Y38-R53 HydrophobicContact CE2-CB 4.1Å; Y38-R53 HydrophobicContact CE2-CG 3.89Å; Y38-R53 HydrophobicContact CG-CB 4.02Å; Y38-R53 HydrophobicContact CG-CG 4.3Å; Y38-R53 PolarHBondContact OH-NE 3.34Å
54	P	88.9	Confident	86.1	Confident	23 Å²	23	58.4 Å²	58.4	15%	0.149	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-69	154.1	178.5	28.5	-34.1	0	0	0	111.3	V40 F50 Q52 C58 Y59	V40-P54 HydrophobicContact CG2-CG 4.25Å; F50-P54 HydrophobicContact CD1-CB 4.4Å; F50-P54 HydrophobicContact CD2-CB 4.48Å; F50-P54 HydrophobicContact CD2-CG 3.76Å; F50-P54 HydrophobicContact CE1-CB 4.45Å; F50-P54 HydrophobicContact CE2-CG 3.87Å; F50-P54 HydrophobicContact CG-CB 4.42Å; F50-P54 HydrophobicContact CG-CG 4.11Å; F50-P54 HydrophobicContact CZ-CG 4.3Å; Q52-P54 WeakPolarHBondContact O-CD 3.46Å; P54-C58 WeakPolarHBondContact CB-O 3.36Å; P54-Y59 HydrophobicContact CB-CD1 4.29Å; P54-Y59 HydrophobicContact CG-CD1 4.01Å; P54-Y59 HydrophobicContact CG-CE1 4.04Å
55	E	86.1	Confident	85.9	Confident	154 Å²	154	59.3 Å²	59.3	72%	0.72	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-67.2	142.7	170	-72.6	-166.3	171.8	0	0	110.5	G57 C58	E55-G57 PolarHBondContact O-N 3.27Å; E55-G57 VanDerWaalsContact O-N 3.17Å; E55-C58 HydrophobicContact CB-CB 4.25Å; E55-C58 PolarHBondContact O-N 3.24Å
56	P	83.7	Confident	85.6	Confident	124 Å²	124	59.8 Å²	59.8	81%	0.805	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	123.1	179.6	-24.5	33.8	0	0	0	112	C58	P56-C58 VanDerWaalsContact C-N 3.31Å
57	G	79.3	Confident	85.3	Confident	68 Å²	68	61.7 Å²	61.7	70%	0.701	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.3	-6.3	-178.6	0	0	0	0	0	114.9	E55	E55-G57 PolarHBondContact O-N 3.27Å; E55-G57 VanDerWaalsContact O-N 3.17Å
58	C	83.2	Confident	85.2	Confident	75 Å²	75	61.5 Å²	61.5	51%	0.507	33%	0.331	S	S	.	.			trans	-111.4	88	176.1	-159.6	0	0	0	0	110.2	P54 E55 P56	P54-C58 WeakPolarHBondContact CB-O 3.36Å; E55-C58 HydrophobicContact CB-CB 4.25Å; E55-C58 PolarHBondContact O-N 3.24Å; P56-C58 VanDerWaalsContact C-N 3.31Å
59	Y	83.8	Confident	84.9	Confident	38 Å²	38	64.8 Å²	64.8	15%	0.149	35%	0.345	C	S	.	.			trans	-105.8	28.8	-179	-56	-68	0	0	0	112.9	I18 V40 F42 F50 P54	I18-Y59 WeakPolarHBondContact CD1-OH 3.4Å; V40-Y59 HydrophobicContact CG1-CE1 4.26Å; V40-Y59 HydrophobicContact CG2-CE1 4.33Å; F42-Y59 HydrophobicContact CE1-CD2 4.11Å; F42-Y59 AromaticContact CE1-CE2 3.87Å; F42-Y59 HydrophobicContact CE1-CE2 3.87Å; F42-Y59 AromaticContact CZ-CD1 3.87Å; F42-Y59 HydrophobicContact CZ-CD1 3.87Å; F42-Y59 AromaticContact CZ-CD2 3.7Å; F42-Y59 HydrophobicContact CZ-CD2 3.7Å; F42-Y59 AromaticContact CZ-CE1 3.91Å; F42-Y59 HydrophobicContact CZ-CE1 3.91Å; F42-Y59 AromaticContact CZ-CE2 3.73Å; F42-Y59 HydrophobicContact CZ-CE2 3.73Å; F42-Y59 AromaticContact CZ-CG 3.78Å; F42-Y59 HydrophobicContact CZ-CG 3.78Å; F42-Y59 AromaticContact CZ-CZ 3.85Å; F50-Y59 HydrophobicContact CE2-CD1 4.29Å; F50-Y59 HydrophobicContact CZ-CD1 4.09Å; P54-Y59 HydrophobicContact CB-CD1 4.29Å; P54-Y59 HydrophobicContact CG-CD1 4.01Å; P54-Y59 HydrophobicContact CG-CE1 4.04Å
60	A	76.3	Confident	84.5	Confident	58 Å²	58	68.2 Å²	68.2	48%	0.479	36%	0.364	S	S	.	.			trans	-69.8	151.5	176	0	0	0	0	0	111.3
61	D	74.1	Confident	84.5	Confident	128 Å²	128	68.1 Å²	68.1	68%	0.684	36%	0.364	S	S	*	.	S	Bend	trans	53.9	50.4	172.5	-51.6	-41	0	0	0	116.4	L63	D61-L63 PolarHBondContact O-N 3.49Å
62	P	81.9	Confident	84.7	Confident	9 Å²	9	67.1 Å²	67.1	6%	0.058	37%	0.365	C	S	.	.			trans	-61.6	138.8	173.6	29	-35.1	0	0	0	111	L48 F50 N64 E65 K316	L48-P62 HydrophobicContact CB-CB 4.09Å; L48-P62 HydrophobicContact CD1-CB 4.37Å; L48-P62 HydrophobicContact CD1-CG 4.39Å; L48-P62 HydrophobicContact CD2-CB 4.06Å; L48-P62 HydrophobicContact CD2-CG 3.96Å; L48-P62 HydrophobicContact CG-CB 4.4Å; F50-P62 HydrophobicContact CD1-CB 4.29Å; F50-P62 HydrophobicContact CE1-CB 3.75Å; F50-P62 HydrophobicContact CZ-CB 3.93Å; P62-N64 VanDerWaalsContact C-N 3.3Å; P62-E65 HydrophobicContact CG-CB 4.38Å; P62-K316 PolarHBondContact O-NZ 3.36Å
63	L	77.7	Confident	85	Confident	31 Å²	31	61.7 Å²	61.7	16%	0.162	34%	0.341	C	S	.	.	S	Bend	trans	-77.5	-20.6	172.9	-71.2	-172.9	0	0	0	112.4	G49 R51 D61	G49-L63 WeakPolarHBondContact O-CA 3.42Å; G49-L63 PolarHBondContact O-N 3.23Å; R51-L63 HydrophobicContact CB-CD1 3.66Å; R51-L63 HydrophobicContact CG-CD1 4.36Å; D61-L63 PolarHBondContact O-N 3.49Å
64	N	83.4	Confident	85	Confident	8 Å²	8	61.4 Å²	61.4	4%	0.043	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	129.1	177.8	-63.9	121.3	0	0	0	108.6	K26 R37 F39 L48 G49 P62 F66	K26-N64 PolarHBondContact NZ-ND2 2.81Å; R37-N64 WeakPolarHBondContact CG-OD1 3.37Å; F39-N64 HydrophobicContact CE1-CB 3.93Å; F39-N64 HydrophobicContact CZ-CB 4.16Å; L48-N64 CarbonylContact C-O 3.48Å; L48-N64 VanDerWaalsContact CA-O 3.27Å; L48-N64 WeakPolarHBondContact CA-O 3.31Å; G49-N64 PolarHBondContact N-O 3.35Å; G49-N64 PolarHBondContact O-N 2.88Å; P62-N64 VanDerWaalsContact C-N 3.3Å; N64-F66 HydrophobicContact CB-CD2 4.47Å; N64-F66 HydrophobicContact CB-CE1 4.33Å; N64-F66 HydrophobicContact CB-CE2 3.65Å; N64-F66 HydrophobicContact CB-CZ 3.56Å
65	E	85.8	Confident	85.4	Confident	60 Å²	60	65.4 Å²	65.4	28%	0.28	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	113.4	-175.6	-179.6	179.6	163.5	0	0	108.7	T10 L48 P62	T10-E65 VanDerWaalsContact C-OE1 3.29Å; T10-E65 WeakPolarHBondContact CA-OE1 3.36Å; T10-E65 WeakPolarHBondContact CB-OE1 3.11Å; T10-E65 PolarHBondContact N-OE1 3.19Å; T10-E65 WeakPolarHBondContact OG1-CG 3.5Å; T10-E65 PolarHBondContact OG1-OE1 3.47Å; L48-E65 HydrophobicContact CD2-CB 4.08Å; L48-E65 HydrophobicContact CD2-CG 3.76Å; P62-E65 HydrophobicContact CG-CB 4.38Å
66	F	86	Confident	85.8	Confident	11 Å²	11	59.9 Å²	59.9	5%	0.048	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	151.7	-170.3	-51	-45	0	0	0	110.4	F39 L47 N64 R97 F99	F39-F66 HydrophobicContact CE1-CD2 4.17Å; F39-F66 AromaticContact CE1-CE2 3.77Å; F39-F66 HydrophobicContact CE1-CE2 3.77Å; F39-F66 HydrophobicContact CZ-CE2 4.22Å; L47-F66 HydrophobicContact CB-CB 4.26Å; L47-F66 HydrophobicContact CD2-CD2 4.18Å; L47-F66 HydrophobicContact CG-CD2 4.37Å; L47-F66 PolarHBondContact N-O 3.39Å; L47-F66 PolarHBondContact O-N 3.22Å; N64-F66 HydrophobicContact CB-CD2 4.47Å; N64-F66 HydrophobicContact CB-CE1 4.33Å; N64-F66 HydrophobicContact CB-CE2 3.65Å; N64-F66 HydrophobicContact CB-CZ 3.56Å; F66-R97 VanDerWaalsContact CG-CD 3.43Å; F66-F99 HydrophobicContact CD2-CZ 4.23Å; F66-F99 HydrophobicContact CE2-CE1 4.26Å; F66-F99 AromaticContact CE2-CZ 3.98Å; F66-F99 HydrophobicContact CE2-CZ 3.98Å
67	T	86.5	Confident	86.2	Confident	50 Å²	50	58.6 Å²	58.6	31%	0.307	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	143.2	159.8	-174.1	0	0	0	0	110.3	G45 K69 R97	G45-T67 CarbonylContact O-C 3.43Å; G45-T67 WeakPolarHBondContact O-CA 3.37Å; T67-K69 WeakPolarHBondContact OG1-CB 3.35Å; T67-K69 PolarHBondContact OG1-N 2.79Å; T67-K69 VanDerWaalsContact OG1-N 3.13Å; T67-R97 PolarHBondContact O-NH1 2.82Å
68	V	90.3	Very high	86.5	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.326	C	S	.	.			trans	-103.3	7	168.3	-56.9	0	0	0	0	112.6	L41 G45 L47 D70 C71 I114 V117 S118	L41-V68 HydrophobicContact CD1-CG1 4.25Å; L41-V68 HydrophobicContact CD1-CG2 3.81Å; G45-V68 WeakPolarHBondContact O-CG2 3.36Å; G45-V68 PolarHBondContact O-N 2.88Å; L47-V68 HydrophobicContact CB-CG1 3.99Å; L47-V68 HydrophobicContact CD2-CG1 4.02Å; V68-D70 PolarHBondContact O-N 3.02Å; V68-C71 WeakPolarHBondContact O-CB 3.11Å; V68-C71 PolarHBondContact O-N 2.82Å; V68-C71 PolarHBondContact O-SG 3.44Å; V68-I114 HydrophobicContact CB-CG2 3.84Å; V68-I114 HydrophobicContact CG1-CG2 3.81Å; V68-I114 HydrophobicContact CG2-CG2 4.32Å; V68-V117 HydrophobicContact CG2-CB 4.31Å; V68-V117 HydrophobicContact CG2-CG1 3.95Å; V68-S118 WeakPolarHBondContact O-CB 3.47Å; V68-S118 PolarHBondContact O-OG 2.91Å
69	K	85.3	Confident	86.5	Confident	69 Å²	69	65.6 Å²	65.6	30%	0.3	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	135	173.8	-170	174.1	-179.5	173	0	109.9	T67 C71 L121 D125	T67-K69 WeakPolarHBondContact OG1-CB 3.35Å; T67-K69 PolarHBondContact OG1-N 2.79Å; T67-K69 VanDerWaalsContact OG1-N 3.13Å; K69-C71 PolarHBondContact O-N 2.73Å; K69-L121 HydrophobicContact CB-CD1 4.12Å; K69-L121 HydrophobicContact CG-CB 4.33Å; K69-L121 HydrophobicContact CG-CD1 4.28Å; K69-D125 WeakPolarHBondContact CE-OD2 2.79Å; K69-D125 IonicContact NZ-OD1 2.75Å; K69-D125 PolarHBondContact NZ-OD1 3.32Å; K69-D125 IonicContact NZ-OD2 2.74Å; K69-D125 PolarHBondContact NZ-OD2 3.35Å
70	D	83.7	Confident	86.8	Confident	72 Å²	72	68 Å²	68	39%	0.385	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	28.1	-178	-63	-51.1	0	0	0	115.3	V68 S118 K122	V68-D70 PolarHBondContact O-N 3.02Å; D70-S118 PolarHBondContact N-OG 3.46Å; D70-K122 WeakPolarHBondContact OD1-CE 3.21Å; D70-K122 WeakPolarHBondContact OD1-CG 3.38Å
71	C	89.5	Confident	87.7	Confident	10 Å²	10	69.4 Å²	69.4	7%	0.068	34%	0.339	C	S	.	.			trans	-78.1	158.4	179	76.4	0	0	0	0	112.3	V68 K69 V86 R87 S118	V68-C71 WeakPolarHBondContact O-CB 3.11Å; V68-C71 PolarHBondContact O-N 2.82Å; V68-C71 PolarHBondContact O-SG 3.44Å; K69-C71 PolarHBondContact O-N 2.73Å; C71-V86 HydrophobicContact CB-CG1 3.81Å; C71-R87 CarbonylContact C-O 3.59Å; C71-R87 VanDerWaalsContact CA-O 3.29Å; C71-R87 WeakPolarHBondContact CA-O 3.47Å; C71-S118 PolarHBondContact N-OG 2.78Å
72	Q	91.1	Very high	88.8	Confident	114 Å²	114	64.7 Å²	64.7	53%	0.533	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	133.5	169.6	-65.7	177.3	-1.1	0	0	107.9	R87	Q72-R87 HydrophobicContact CB-CB 4.35Å; Q72-R87 PolarHBondContact N-O 3.48Å; Q72-R87 PolarHBondContact O-N 2.82Å
73	L	94.5	Very high	89.5	Confident	35 Å²	35	64.3 Å²	64.3	18%	0.183	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	141.6	179.2	-69.9	171.2	0	0	0	110.6	I85 V86 M111 I114 E115	L73-I85 WeakPolarHBondContact CA-O 3.42Å; L73-V86 HydrophobicContact CD2-CB 4.27Å; L73-V86 HydrophobicContact CD2-CG1 4.37Å; L73-V86 HydrophobicContact CD2-CG2 3.67Å; L73-M111 HydrophobicContact CB-CE 3.78Å; L73-M111 HydrophobicContact CD1-CB 4.27Å; L73-M111 VanDerWaalsContact CD1-O 3.28Å; L73-M111 WeakPolarHBondContact CD1-O 2.98Å; L73-I114 HydrophobicContact CD1-CB 4.16Å; L73-I114 HydrophobicContact CD1-CG2 4.05Å; L73-I114 HydrophobicContact CD2-CB 4.43Å; L73-I114 HydrophobicContact CD2-CG2 3.93Å; L73-I114 HydrophobicContact CG-CG2 4.32Å; L73-E115 HydrophobicContact CD1-CB 3.78Å; L73-E115 HydrophobicContact CD1-CG 4.46Å
74	R	94.7	Very high	90.4	Very high	153 Å²	153	62.9 Å²	62.9	58%	0.577	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.2	129.6	171.3	-64	-178.5	82.6	-175.3	6.3	110.7	F84 I85	R74-F84 CarbonylContact O-C 3.54Å; R74-F84 VanDerWaalsContact O-CA 3.29Å; R74-F84 WeakPolarHBondContact O-CA 3.29Å; R74-I85 PolarHBondContact N-O 2.89Å; R74-I85 PolarHBondContact O-N 2.98Å
75	E	95.6	Very high	90.9	Very high	106 Å²	106	63.5 Å²	63.5	50%	0.495	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	133.7	164.6	-75.2	-163	141.8	0	0	110.1	R107 M111	E75-R107 VanDerWaalsContact CD-CZ 3.5Å; E75-R107 IonicContact OE1-CZ 2.78Å; E75-R107 VanDerWaalsContact OE1-CZ 3.23Å; E75-R107 IonicContact OE1-NE 3.71Å; E75-R107 PolarHBondContact OE1-NE 3.32Å; E75-R107 IonicContact OE1-NH2 2.76Å; E75-R107 PolarHBondContact OE1-NH2 2.99Å; E75-R107 IonicContact OE2-CZ 3.17Å; E75-R107 IonicContact OE2-NH2 3.93Å; E75-R107 PolarHBondContact OE2-NH2 3.23Å; E75-M111 HydrophobicContact CG-CE 3.63Å; E75-M111 HydrophobicContact CG-SD 3.4Å; E75-M111 WeakPolarHBondContact CG-SD 3.15Å
76	V	94.6	Very high	91.3	Very high	38 Å²	38	60.7 Å²	60.7	23%	0.23	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	143.5	173.5	-64.2	0	0	0	0	109.8	T83 I85	V76-T83 HydrophobicContact CG2-CG2 3.39Å; V76-T83 PolarHBondContact N-O 2.83Å; V76-T83 VanDerWaalsContact N-O 3.08Å; V76-T83 CarbonylContact O-C 3.55Å; V76-T83 VanDerWaalsContact O-C 3.25Å; V76-T83 VanDerWaalsContact O-CA 3.31Å; V76-T83 WeakPolarHBondContact O-CA 3.35Å; V76-T83 WeakPolarHBondContact O-CB 3.34Å; V76-T83 PolarHBondContact O-N 3.23Å; V76-I85 HydrophobicContact CG1-CD1 4.15Å; V76-I85 HydrophobicContact CG2-CD1 3.94Å; V76-I85 HydrophobicContact CG2-CG1 3.97Å
77	D	92.3	Very high	91.5	Very high	97 Å²	97	64.7 Å²	64.7	52%	0.519	31%	0.308	S	S	.	.			trans	-107.2	20.5	175.3	-67.3	-50.1	0	0	0	112.5	K80 N82 R107	D77-K80 CarbonylContact C-O 3.5Å; D77-K80 WeakPolarHBondContact CA-O 3.41Å; D77-K80 CarbonylContact O-C 3.53Å; D77-N82 PolarHBondContact OD1-N 3.26Å; D77-N82 VanDerWaalsContact OD1-N 3.09Å; D77-R107 IonicContact OD1-CZ 2.7Å; D77-R107 IonicContact OD1-NH1 3.4Å; D77-R107 PolarHBondContact OD1-NH1 3.29Å
78	R	85.9	Confident	91	Very high	220 Å²	220	62.6 Å²	62.6	83%	0.83	30%	0.297	S	S	*	.	S	Bend	trans	-129.6	141.6	171.5	-67.1	-166.6	179.7	-150.6	1.4	110.5	K80	R78-K80 VanDerWaalsContact C-N 3.34Å
79	P	84.6	Confident	89.4	Confident	71 Å²	71	66.9 Å²	66.9	46%	0.461	32%	0.319	S	S	.	.	S	Bend	cis	-80.1	-5.6	2.6	34.6	-36.9	0	0	0	114.2	W34	W34-P79 HydrophobicContact CZ2-CG 3.84Å
80	K	90.1	Very high	88.3	Confident	88 Å²	88	66.8 Å²	66.8	38%	0.383	32%	0.32	S	S	.	.	S	Bend	trans	-129.6	152.6	175.4	-69.5	-170	172.8	-165.5	0	110.6	W34 D77 R78 T83 N100	W34-K80 HydrophobicContact CZ2-CB 4.5Å; W34-K80 HydrophobicContact CZ2-CD 4.46Å; W34-K80 HydrophobicContact CZ2-CG 4.41Å; D77-K80 CarbonylContact C-O 3.5Å; D77-K80 WeakPolarHBondContact CA-O 3.41Å; D77-K80 CarbonylContact O-C 3.53Å; R78-K80 VanDerWaalsContact C-N 3.34Å; K80-T83 WeakPolarHBondContact O-CB 3.18Å; K80-T83 PolarHBondContact O-OG1 3.1Å; K80-T83 VanDerWaalsContact O-OG1 3.09Å; K80-N100 WeakPolarHBondContact CB-ND2 3.4Å
81	P	94.2	Very high	86.8	Confident	87 Å²	87	74 Å²	74	57%	0.565	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	153.2	169.3	-18.3	30.3	0	0	0	111.3	T83 N100	P81-T83 PolarHBondContact O-N 2.85Å; P81-N100 PolarHBondContact O-ND2 2.83Å
82	N	96.2	Very high	84.7	Confident	30 Å²	30	78.6 Å²	78.6	16%	0.16	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	24.5	179.2	-43.5	-37.4	0	0	0	113.6	D77 A101 P104	D77-N82 PolarHBondContact OD1-N 3.26Å; D77-N82 VanDerWaalsContact OD1-N 3.09Å; N82-A101 WeakPolarHBondContact CB-O 3.36Å; N82-A101 PolarHBondContact O-N 3.28Å; N82-A101 VanDerWaalsContact O-N 3.08Å; N82-P104 WeakPolarHBondContact OD1-CD 3.48Å; N82-P104 WeakPolarHBondContact OD1-CG 3.28Å
83	T	97.2	Very high	82.5	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	147.2	173.9	-71.3	0	0	0	0	110.6	W34 V76 K80 P81 T98 F99 N100 R107	W34-T83 HydrophobicContact CH2-CG2 4.06Å; V76-T83 HydrophobicContact CG2-CG2 3.39Å; V76-T83 PolarHBondContact N-O 2.83Å; V76-T83 VanDerWaalsContact N-O 3.08Å; V76-T83 CarbonylContact O-C 3.55Å; V76-T83 VanDerWaalsContact O-C 3.25Å; V76-T83 VanDerWaalsContact O-CA 3.31Å; V76-T83 WeakPolarHBondContact O-CA 3.35Å; V76-T83 WeakPolarHBondContact O-CB 3.34Å; V76-T83 PolarHBondContact O-N 3.23Å; K80-T83 WeakPolarHBondContact O-CB 3.18Å; K80-T83 PolarHBondContact O-OG1 3.1Å; K80-T83 VanDerWaalsContact O-OG1 3.09Å; P81-T83 PolarHBondContact O-N 2.85Å; T83-T98 HydrophobicContact CG2-CG2 3.48Å; T83-T98 VanDerWaalsContact CG2-CG2 3.48Å; T83-F99 CarbonylContact C-O 3.57Å; T83-F99 WeakPolarHBondContact CA-O 3.49Å; T83-F99 VanDerWaalsContact CG2-O 3.23Å; T83-F99 WeakPolarHBondContact CG2-O 3.37Å; T83-N100 PolarHBondContact OG1-ND2 2.77Å; T83-N100 VanDerWaalsContact OG1-ND2 3.11Å; T83-R107 WeakPolarHBondContact O-CD 3.49Å; T83-R107 PolarHBondContact O-NH1 2.92Å
84	F	97.3	Very high	81.1	Confident	1 Å²	1	77.9 Å²	77.9	0%	0.004	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150.5	169.5	64.6	-82.8	0	0	0	109.9	L24 R74 V86 F99 R107 W110 M111 I114	L24-F84 HydrophobicContact CD1-CE1 4.38Å; L24-F84 HydrophobicContact CD1-CZ 3.78Å; L24-F84 HydrophobicContact CD2-CE1 3.91Å; L24-F84 HydrophobicContact CD2-CZ 4.14Å; R74-F84 CarbonylContact O-C 3.54Å; R74-F84 VanDerWaalsContact O-CA 3.29Å; R74-F84 WeakPolarHBondContact O-CA 3.29Å; F84-V86 HydrophobicContact CD2-CG2 4.19Å; F84-V86 HydrophobicContact CE2-CG2 4.09Å; F84-F99 HydrophobicContact CD1-CB 3.97Å; F84-F99 HydrophobicContact CD2-CB 4.15Å; F84-F99 HydrophobicContact CD2-CD2 4.15Å; F84-F99 HydrophobicContact CE1-CB 3.51Å; F84-F99 HydrophobicContact CE1-CG 4.49Å; F84-F99 HydrophobicContact CE2-CB 3.69Å; F84-F99 AromaticContact CE2-CD2 3.68Å; F84-F99 HydrophobicContact CE2-CD2 3.68Å; F84-F99 AromaticContact CE2-CG 3.9Å; F84-F99 HydrophobicContact CE2-CG 3.9Å; F84-F99 HydrophobicContact CG-CB 4.29Å; F84-F99 HydrophobicContact CZ-CB 3.37Å; F84-F99 HydrophobicContact CZ-CD2 4.16Å; F84-F99 AromaticContact CZ-CG 3.88Å; F84-F99 HydrophobicContact CZ-CG 3.88Å; F84-F99 PolarHBondContact N-O 3.34Å; F84-F99 PolarHBondContact O-N 2.77Å; F84-R107 HydrophobicContact CB-CG 4.22Å; F84-R107 HydrophobicContact CD1-CG 3.87Å; F84-R107 HydrophobicContact CG-CG 4.37Å; F84-W110 HydrophobicContact CE1-CB 4.31Å; F84-W110 HydrophobicContact CZ-CB 3.92Å; F84-W110 HydrophobicContact CZ-CG 4.32Å; F84-M111 HydrophobicContact CB-CE 4.34Å; F84-M111 HydrophobicContact CB-CG 3.99Å; F84-M111 HydrophobicContact CB-SD 3.62Å; F84-M111 HydrophobicContact CD2-CG 3.98Å; F84-M111 HydrophobicContact CG-CG 3.96Å; F84-M111 HydrophobicContact CG-SD 4.24Å; F84-I114 HydrophobicContact CE2-CD1 4.04Å
85	I	94.3	Very high	80	Confident	22 Å²	22	72.4 Å²	72.4	11%	0.113	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.6	-179.4	-60.2	173.7	0	0	0	108.3	L73 R74 V76 E96 R97 T98	L73-I85 WeakPolarHBondContact CA-O 3.42Å; R74-I85 PolarHBondContact N-O 2.89Å; R74-I85 PolarHBondContact O-N 2.98Å; V76-I85 HydrophobicContact CG1-CD1 4.15Å; V76-I85 HydrophobicContact CG2-CD1 3.94Å; V76-I85 HydrophobicContact CG2-CG1 3.97Å; I85-E96 HydrophobicContact CG2-CB 3.93Å; I85-E96 HydrophobicContact CG2-CG 4.12Å; I85-R97 CarbonylContact C-O 3.6Å; I85-R97 WeakPolarHBondContact CA-O 3.48Å; I85-T98 HydrophobicContact CG1-CG2 4.26Å
86	V	93.8	Very high	79.6	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.006	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	109.5	168.6	-174.2	0	0	0	0	107.1	C71 L73 F84 R97 F99 I114	C71-V86 HydrophobicContact CB-CG1 3.81Å; L73-V86 HydrophobicContact CD2-CB 4.27Å; L73-V86 HydrophobicContact CD2-CG1 4.37Å; L73-V86 HydrophobicContact CD2-CG2 3.67Å; F84-V86 HydrophobicContact CD2-CG2 4.19Å; F84-V86 HydrophobicContact CE2-CG2 4.09Å; V86-R97 PolarHBondContact N-O 2.77Å; V86-R97 PolarHBondContact O-N 3.28Å; V86-F99 HydrophobicContact CB-CE2 3.99Å; V86-F99 HydrophobicContact CG2-CD2 3.79Å; V86-F99 HydrophobicContact CG2-CE2 3.5Å; V86-I114 HydrophobicContact CG2-CD1 4.1Å
87	R	89.5	Confident	79.4	Confident	94 Å²	94	70 Å²	70	36%	0.355	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	117.3	177.3	-177	177.1	-170.9	-127.4	0.7	108.7	C71 Q72 V94 I95 E96	C71-R87 CarbonylContact C-O 3.59Å; C71-R87 VanDerWaalsContact CA-O 3.29Å; C71-R87 WeakPolarHBondContact CA-O 3.47Å; Q72-R87 HydrophobicContact CB-CB 4.35Å; Q72-R87 PolarHBondContact N-O 3.48Å; Q72-R87 PolarHBondContact O-N 2.82Å; R87-V94 HydrophobicContact CG-CG1 3.72Å; R87-I95 CarbonylContact C-O 3.6Å; R87-I95 WeakPolarHBondContact CA-O 3.11Å; R87-E96 HydrophobicContact CB-CG 4.03Å; R87-E96 WeakPolarHBondContact CD-OE1 3.31Å; R87-E96 HydrophobicContact CG-CG 3.81Å; R87-E96 IonicContact NE-OE1 3.23Å
88	G	77.4	Confident	79.4	Confident	6 Å²	6	66.4 Å²	66.4	6%	0.062	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	168.2	-177.6	0	0	0	0	0	111.9	I95	G88-I95 PolarHBondContact N-O 2.76Å; G88-I95 PolarHBondContact O-N 2.85Å
89	L	56.7	Low	79.9	Confident	90 Å²	90	56 Å²	56	47%	0.471	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	130.8	167	-89.7	133.3	0	0	0	109	W91 T93 V94	L89-W91 WeakPolarHBondContact CD2-O 3.26Å; L89-T93 WeakPolarHBondContact CA-O 3.39Å; L89-V94 HydrophobicContact CG-CG2 4.47Å
90	Q	60.8	Low	80.5	Confident	68 Å²	68	53.6 Å²	53.6	32%	0.318	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	112.6	159.8	-170.7	165	-7.9	0	0	105.2	T92 T93 I95	Q90-T92 PolarHBondContact O-N 2.71Å; Q90-T93 PolarHBondContact N-O 3.22Å; Q90-T93 PolarHBondContact O-N 2.66Å; Q90-T93 VanDerWaalsContact O-N 3.1Å; Q90-I95 HydrophobicContact CB-CD1 3.53Å; Q90-I95 HydrophobicContact CB-CG1 4.17Å; Q90-I95 HydrophobicContact CG-CD1 4.22Å
91	W	52.4	Low	80.9	Confident	223 Å²	223	49.5 Å²	49.5	85%	0.845	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	-112.3	-166.4	-60.2	94.6	0	0	0	111.9	L89	L89-W91 WeakPolarHBondContact CD2-O 3.26Å
92	T	45.3	Very low	80.9	Confident	106 Å²	106	50.1 Å²	50.1	65%	0.65	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	-4.8	179.2	53	0	0	0	0	112.8	Q90	Q90-T92 PolarHBondContact O-N 2.71Å
93	T	45.1	Very low	80.9	Confident	57 Å²	57	50.8 Å²	50.8	35%	0.35	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.9	-175.2	-57.8	0	0	0	0	110.6	L89 Q90 I95	L89-T93 WeakPolarHBondContact CA-O 3.39Å; Q90-T93 PolarHBondContact N-O 3.22Å; Q90-T93 PolarHBondContact O-N 2.66Å; Q90-T93 VanDerWaalsContact O-N 3.1Å; T93-I95 HydrophobicContact CG2-CG1 4.16Å; T93-I95 PolarHBondContact O-N 3.4Å
94	V	65.4	Low	80.9	Confident	77 Å²	77	54.5 Å²	54.5	47%	0.467	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	116.6	171.6	-179	0	0	0	0	108.8	R87 L89	R87-V94 HydrophobicContact CG-CG1 3.72Å; L89-V94 HydrophobicContact CG-CG2 4.47Å
95	I	72.3	Confident	80.9	Confident	38 Å²	38	56.3 Å²	56.3	20%	0.195	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	137.1	-178.8	-53.3	-172.4	0	0	0	109.6	R87 G88 Q90 T93 R97	R87-I95 CarbonylContact C-O 3.6Å; R87-I95 WeakPolarHBondContact CA-O 3.11Å; G88-I95 PolarHBondContact N-O 2.76Å; G88-I95 PolarHBondContact O-N 2.85Å; Q90-I95 HydrophobicContact CB-CD1 3.53Å; Q90-I95 HydrophobicContact CB-CG1 4.17Å; Q90-I95 HydrophobicContact CG-CD1 4.22Å; T93-I95 HydrophobicContact CG2-CG1 4.16Å; T93-I95 PolarHBondContact O-N 3.4Å; I95-R97 HydrophobicContact CG2-CG 4.31Å
96	E	87	Confident	81.1	Confident	92 Å²	92	57.1 Å²	57.1	43%	0.43	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.5	172	-70.8	-168.1	165.5	0	0	110.7	I85 R87	I85-E96 HydrophobicContact CG2-CB 3.93Å; I85-E96 HydrophobicContact CG2-CG 4.12Å; R87-E96 HydrophobicContact CB-CG 4.03Å; R87-E96 WeakPolarHBondContact CD-OE1 3.31Å; R87-E96 HydrophobicContact CG-CG 3.81Å; R87-E96 IonicContact NE-OE1 3.23Å
97	R	89	Confident	81.3	Confident	3 Å²	3	58 Å²	58	1%	0.011	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	121	176.1	-57.9	-179.7	-168.3	112	-5	108.8	F66 T67 I85 V86 I95 F99	F66-R97 VanDerWaalsContact CG-CD 3.43Å; T67-R97 PolarHBondContact O-NH1 2.82Å; I85-R97 CarbonylContact C-O 3.6Å; I85-R97 WeakPolarHBondContact CA-O 3.48Å; V86-R97 PolarHBondContact N-O 2.77Å; V86-R97 PolarHBondContact O-N 3.28Å; I95-R97 HydrophobicContact CG2-CG 4.31Å; R97-F99 HydrophobicContact CB-CD2 4.48Å; R97-F99 HydrophobicContact CB-CE2 3.53Å; R97-F99 HydrophobicContact CB-CZ 3.8Å; R97-F99 WeakPolarHBondContact O-CD2 3.24Å
98	T	93.5	Very high	81.7	Confident	21 Å²	21	60.2 Å²	60.2	13%	0.129	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	125	-175.3	-56.1	0	0	0	0	110.3	R27 W34 T83 I85	R27-T98 HydrophobicContact CB-CG2 4.25Å; R27-T98 PolarHBondContact N-O 2.84Å; W34-T98 HydrophobicContact CH2-CG2 3.76Å; W34-T98 HydrophobicContact CZ2-CG2 4.48Å; W34-T98 HydrophobicContact CZ3-CG2 4.42Å; T83-T98 HydrophobicContact CG2-CG2 3.48Å; T83-T98 VanDerWaalsContact CG2-CG2 3.48Å; I85-T98 HydrophobicContact CG1-CG2 4.26Å
99	F	96.5	Very high	82.6	Confident	1 Å²	1	65.4 Å²	65.4	0%	0.004	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	156.3	-179.2	-57.7	-85.4	0	0	0	110.9	L24 M25 K26 F39 L47 F66 T83 F84 V86 R97	L24-F99 HydrophobicContact CD1-CB 4.41Å; L24-F99 HydrophobicContact CD1-CD1 4.09Å; L24-F99 HydrophobicContact CD1-CG 4.43Å; M25-F99 CarbonylContact O-C 3.59Å; M25-F99 WeakPolarHBondContact O-CA 3.44Å; K26-F99 HydrophobicContact CB-CD1 4.45Å; K26-F99 HydrophobicContact CG-CD1 4.42Å; K26-F99 HydrophobicContact CG-CE1 4.14Å; F39-F99 AromaticContact CE1-CE1 3.93Å; F39-F99 HydrophobicContact CE1-CE1 3.93Å; F39-F99 HydrophobicContact CE2-CD1 4.18Å; F39-F99 AromaticContact CE2-CE1 3.95Å; F39-F99 HydrophobicContact CE2-CE1 3.95Å; F39-F99 HydrophobicContact CZ-CD1 4.26Å; F39-F99 AromaticContact CZ-CE1 3.59Å; F39-F99 HydrophobicContact CZ-CE1 3.59Å; L47-F99 HydrophobicContact CD2-CZ 4.27Å; F66-F99 HydrophobicContact CD2-CZ 4.23Å; F66-F99 HydrophobicContact CE2-CE1 4.26Å; F66-F99 AromaticContact CE2-CZ 3.98Å; F66-F99 HydrophobicContact CE2-CZ 3.98Å; T83-F99 CarbonylContact C-O 3.57Å; T83-F99 WeakPolarHBondContact CA-O 3.49Å; T83-F99 VanDerWaalsContact CG2-O 3.23Å; T83-F99 WeakPolarHBondContact CG2-O 3.37Å; F84-F99 HydrophobicContact CD1-CB 3.97Å; F84-F99 HydrophobicContact CD2-CB 4.15Å; F84-F99 HydrophobicContact CD2-CD2 4.15Å; F84-F99 HydrophobicContact CE1-CB 3.51Å; F84-F99 HydrophobicContact CE1-CG 4.49Å; F84-F99 HydrophobicContact CE2-CB 3.69Å; F84-F99 AromaticContact CE2-CD2 3.68Å; F84-F99 HydrophobicContact CE2-CD2 3.68Å; F84-F99 AromaticContact CE2-CG 3.9Å; F84-F99 HydrophobicContact CE2-CG 3.9Å; F84-F99 HydrophobicContact CG-CB 4.29Å; F84-F99 HydrophobicContact CZ-CB 3.37Å; F84-F99 HydrophobicContact CZ-CD2 4.16Å; F84-F99 AromaticContact CZ-CG 3.88Å; F84-F99 HydrophobicContact CZ-CG 3.88Å; F84-F99 PolarHBondContact N-O 3.34Å; F84-F99 PolarHBondContact O-N 2.77Å; V86-F99 HydrophobicContact CB-CE2 3.99Å; V86-F99 HydrophobicContact CG2-CD2 3.79Å; V86-F99 HydrophobicContact CG2-CE2 3.5Å; R97-F99 HydrophobicContact CB-CD2 4.48Å; R97-F99 HydrophobicContact CB-CE2 3.53Å; R97-F99 HydrophobicContact CB-CZ 3.8Å; R97-F99 WeakPolarHBondContact O-CD2 3.24Å
100	N	97	Very high	84.6	Confident	20 Å²	20	61.2 Å²	61.2	11%	0.107	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	124.9	175.8	174.9	-95.8	0	0	0	109.3	M25 W34 K80 P81 T83	M25-N100 HydrophobicContact CB-CB 4.05Å; M25-N100 PolarHBondContact N-O 3.46Å; M25-N100 PolarHBondContact O-N 3.11Å; W34-N100 HydrophobicContact CE3-CB 3.84Å; W34-N100 HydrophobicContact CH2-CB 3.51Å; W34-N100 HydrophobicContact CZ2-CB 4.35Å; W34-N100 HydrophobicContact CZ3-CB 3.23Å; K80-N100 WeakPolarHBondContact CB-ND2 3.4Å; P81-N100 PolarHBondContact O-ND2 2.83Å; T83-N100 PolarHBondContact OG1-ND2 2.77Å; T83-N100 VanDerWaalsContact OG1-ND2 3.11Å
101	A	97	Very high	86.4	Confident	2 Å²	2	59.1 Å²	59.1	2%	0.017	32%	0.317	C	S	.	.			trans	-94.8	158.6	177.7	0	0	0	0	0	110.8	L24 N82 S103 E106 R107	L24-A101 HydrophobicContact CD2-CB 3.99Å; N82-A101 WeakPolarHBondContact CB-O 3.36Å; N82-A101 PolarHBondContact O-N 3.28Å; N82-A101 VanDerWaalsContact O-N 3.08Å; A101-S103 VanDerWaalsContact C-N 3.28Å; A101-S103 PolarHBondContact O-N 3.4Å; A101-E106 HydrophobicContact CB-CB 4.17Å; A101-E106 HydrophobicContact CB-CG 4.09Å; A101-R107 HydrophobicContact CB-CB 3.92Å
102	S	95.6	Very high	88.5	Confident	100 Å²	100	52.2 Å²	52.2	70%	0.699	30%	0.299	S	S	*	.	S	Bend	trans	-70.8	-25.7	-179.2	70.6	0	0	0	0	112.8	E106	S102-E106 WeakPolarHBondContact CA-OE2 3.46Å; S102-E106 VanDerWaalsContact CB-OE2 3.23Å; S102-E106 WeakPolarHBondContact CB-OE2 3.4Å; S102-E106 PolarHBondContact N-OE2 3.29Å; S102-E106 PolarHBondContact OG-OE2 3.4Å
103	S	96.8	Very high	91	Very high	44 Å²	44	47.7 Å²	47.7	31%	0.308	27%	0.273	S	S	.	.	S	Bend	trans	-144.6	162	-179.7	72.6	0	0	0	0	112.6	A101 G105 E106 R107	A101-S103 VanDerWaalsContact C-N 3.28Å; A101-S103 PolarHBondContact O-N 3.4Å; S103-G105 PolarHBondContact O-N 2.85Å; S103-E106 PolarHBondContact O-N 3.07Å; S103-E106 WeakPolarHBondContact OG-CB 3.47Å; S103-E106 PolarHBondContact OG-N 2.84Å; S103-E106 VanDerWaalsContact OG-N 3.12Å; S103-R107 PolarHBondContact O-N 2.81Å
104	P	96.9	Very high	93.5	Very high	79 Å²	79	45 Å²	45	51%	0.513	26%	0.257	S	S	.	.	H	α-helix	trans	-60.4	-33.7	172.2	-20.4	29.6	0	0	0	113.1	N82 R107 K108	N82-P104 WeakPolarHBondContact OD1-CD 3.48Å; N82-P104 WeakPolarHBondContact OD1-CG 3.28Å; P104-R107 PolarHBondContact O-N 3.31Å; P104-K108 WeakPolarHBondContact O-CB 3.42Å; P104-K108 PolarHBondContact O-N 3.48Å
105	G	97.4	Very high	95	Very high	39 Å²	39	46.4 Å²	46.4	40%	0.402	26%	0.258	S	S	.	.	H	α-helix	trans	-64.2	-49.9	177	0	0	0	0	0	111.4	S103 R107 K108 E109	S103-G105 PolarHBondContact O-N 2.85Å; G105-R107 VanDerWaalsContact C-N 3.35Å; G105-R107 PolarHBondContact O-N 3.44Å; G105-K108 WeakPolarHBondContact O-CB 3.42Å; G105-K108 PolarHBondContact O-N 3.32Å; G105-K108 VanDerWaalsContact O-N 3.12Å; G105-E109 WeakPolarHBondContact O-CG 3.05Å; G105-E109 PolarHBondContact O-N 3.23Å
106	E	97.3	Very high	96.1	Very high	39 Å²	39	48.2 Å²	48.2	18%	0.182	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-39.1	176.8	-175.3	179.6	-141.9	0	0	111.8	A101 S102 S103 K108 E109 W110	A101-E106 HydrophobicContact CB-CB 4.17Å; A101-E106 HydrophobicContact CB-CG 4.09Å; S102-E106 WeakPolarHBondContact CA-OE2 3.46Å; S102-E106 VanDerWaalsContact CB-OE2 3.23Å; S102-E106 WeakPolarHBondContact CB-OE2 3.4Å; S102-E106 PolarHBondContact N-OE2 3.29Å; S102-E106 PolarHBondContact OG-OE2 3.4Å; S103-E106 PolarHBondContact O-N 3.07Å; S103-E106 WeakPolarHBondContact OG-CB 3.47Å; S103-E106 PolarHBondContact OG-N 2.84Å; S103-E106 VanDerWaalsContact OG-N 3.12Å; E106-K108 VanDerWaalsContact C-N 3.29Å; E106-K108 PolarHBondContact O-N 3.02Å; E106-E109 PolarHBondContact O-N 3.44Å; E106-W110 PolarHBondContact O-N 2.87Å
107	R	97.9	Very high	96.6	Very high	18 Å²	18	44 Å²	44	7%	0.068	25%	0.254	C	S	.	.	H	α-helix	trans	-55.7	-47.8	172.3	179.4	171.5	78.2	-168.8	-1.5	110.9	E75 D77 T83 F84 A101 S103 P104 G105 W110 M111	E75-R107 VanDerWaalsContact CD-CZ 3.5Å; E75-R107 IonicContact OE1-CZ 2.78Å; E75-R107 VanDerWaalsContact OE1-CZ 3.23Å; E75-R107 IonicContact OE1-NE 3.71Å; E75-R107 PolarHBondContact OE1-NE 3.32Å; E75-R107 IonicContact OE1-NH2 2.76Å; E75-R107 PolarHBondContact OE1-NH2 2.99Å; E75-R107 IonicContact OE2-CZ 3.17Å; E75-R107 IonicContact OE2-NH2 3.93Å; E75-R107 PolarHBondContact OE2-NH2 3.23Å; D77-R107 IonicContact OD1-CZ 2.7Å; D77-R107 IonicContact OD1-NH1 3.4Å; D77-R107 PolarHBondContact OD1-NH1 3.29Å; T83-R107 WeakPolarHBondContact O-CD 3.49Å; T83-R107 PolarHBondContact O-NH1 2.92Å; F84-R107 HydrophobicContact CB-CG 4.22Å; F84-R107 HydrophobicContact CD1-CG 3.87Å; F84-R107 HydrophobicContact CG-CG 4.37Å; A101-R107 HydrophobicContact CB-CB 3.92Å; S103-R107 PolarHBondContact O-N 2.81Å; P104-R107 PolarHBondContact O-N 3.31Å; G105-R107 VanDerWaalsContact C-N 3.35Å; G105-R107 PolarHBondContact O-N 3.44Å; R107-W110 PolarHBondContact O-N 2.69Å; R107-M111 HydrophobicContact CG-CG 4.37Å; R107-M111 HydrophobicContact CG-SD 3.84Å; R107-M111 WeakPolarHBondContact O-CB 3.28Å; R107-M111 VanDerWaalsContact O-CG 3.3Å; R107-M111 WeakPolarHBondContact O-CG 3.4Å; R107-M111 PolarHBondContact O-N 3.23Å
108	K	97.6	Very high	96.8	Very high	142 Å²	142	44 Å²	44	62%	0.617	26%	0.255	S	S	*	.	H	α-helix	trans	-65.4	-40.7	-178.4	-168.8	176	-177.4	179.2	0	111.9	P104 G105 E106 T112	P104-K108 WeakPolarHBondContact O-CB 3.42Å; P104-K108 PolarHBondContact O-N 3.48Å; G105-K108 WeakPolarHBondContact O-CB 3.42Å; G105-K108 PolarHBondContact O-N 3.32Å; G105-K108 VanDerWaalsContact O-N 3.12Å; E106-K108 VanDerWaalsContact C-N 3.29Å; E106-K108 PolarHBondContact O-N 3.02Å; K108-T112 VanDerWaalsContact O-CB 3.24Å; K108-T112 WeakPolarHBondContact O-CB 3.43Å; K108-T112 PolarHBondContact O-N 3.48Å; K108-T112 PolarHBondContact O-OG1 3.22Å
109	E	97.9	Very high	96.8	Very high	115 Å²	115	46.5 Å²	46.5	54%	0.537	27%	0.268	S	S	.	.	H	α-helix	trans	-59.8	-50.4	175.4	-73.3	173.2	-166.6	0	0	111.5	G105 E106 T112 A113	G105-E109 WeakPolarHBondContact O-CG 3.05Å; G105-E109 PolarHBondContact O-N 3.23Å; E106-E109 PolarHBondContact O-N 3.44Å; E109-T112 PolarHBondContact O-N 2.77Å; E109-A113 WeakPolarHBondContact O-CB 3.33Å; E109-A113 PolarHBondContact O-N 2.72Å
110	W	98.1	Very high	96.6	Very high	1 Å²	1	50.3 Å²	50.3	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-59.6	-49.2	176.9	-88.7	103.1	0	0	0	112.8	H20 L24 F39 L41 L47 F84 E106 R107 T112 A113 I114	H20-W110 AromaticContact CD2-CD2 3.49Å; H20-W110 VanDerWaalsContact CD2-CD2 3.49Å; H20-W110 AromaticContact CD2-CE2 3.57Å; H20-W110 AromaticContact CD2-CE3 3.69Å; H20-W110 AromaticContact CD2-CG 3.99Å; H20-W110 AromaticContact CD2-CZ2 3.88Å; H20-W110 AromaticContact CD2-CZ3 3.96Å; H20-W110 AromaticContact NE2-CD1 3.97Å; H20-W110 AromaticContact NE2-CE2 3.87Å; H20-W110 AromaticContact NE2-NE1 3.86Å; L24-W110 HydrophobicContact CD1-CD2 3.72Å; L24-W110 HydrophobicContact CD1-CE3 4.13Å; L24-W110 HydrophobicContact CD1-CG 4.11Å; L24-W110 HydrophobicContact CD1-CH2 4.39Å; L24-W110 HydrophobicContact CD1-CZ2 3.98Å; L24-W110 HydrophobicContact CD1-CZ3 4.46Å; L24-W110 HydrophobicContact CD2-CD2 4.49Å; L24-W110 HydrophobicContact CD2-CG 4.18Å; L24-W110 HydrophobicContact CG-CD2 4.29Å; L24-W110 HydrophobicContact CG-CG 4.48Å; L24-W110 HydrophobicContact CG-CZ2 4.16Å; F39-W110 HydrophobicContact CB-CH2 3.48Å; F39-W110 VanDerWaalsContact CB-CH2 3.48Å; F39-W110 HydrophobicContact CB-CZ2 4Å; F39-W110 HydrophobicContact CB-CZ3 4.2Å; L41-W110 HydrophobicContact CB-CZ3 4.21Å; L47-W110 HydrophobicContact CD1-CZ3 4Å; F84-W110 HydrophobicContact CE1-CB 4.31Å; F84-W110 HydrophobicContact CZ-CB 3.92Å; F84-W110 HydrophobicContact CZ-CG 4.32Å; E106-W110 PolarHBondContact O-N 2.87Å; R107-W110 PolarHBondContact O-N 2.69Å; W110-T112 VanDerWaalsContact C-N 3.34Å; W110-T112 PolarHBondContact O-N 2.7Å; W110-A113 PolarHBondContact O-N 2.92Å; W110-I114 HydrophobicContact CE3-CD1 4.35Å; W110-I114 VanDerWaalsContact O-CG1 3.29Å; W110-I114 WeakPolarHBondContact O-CG1 3.21Å; W110-I114 PolarHBondContact O-N 2.88Å
111	M	97.7	Very high	96.2	Very high	24 Å²	24	50.2 Å²	50.2	12%	0.118	29%	0.287	C	S	.	.	H	α-helix	trans	-62.9	-42.6	-179.5	-71.5	-177.5	75.4	0	0	111.6	L73 E75 F84 R107 A113 I114 E115	L73-M111 HydrophobicContact CB-CE 3.78Å; L73-M111 HydrophobicContact CD1-CB 4.27Å; L73-M111 VanDerWaalsContact CD1-O 3.28Å; L73-M111 WeakPolarHBondContact CD1-O 2.98Å; E75-M111 HydrophobicContact CG-CE 3.63Å; E75-M111 HydrophobicContact CG-SD 3.4Å; E75-M111 WeakPolarHBondContact CG-SD 3.15Å; F84-M111 HydrophobicContact CB-CE 4.34Å; F84-M111 HydrophobicContact CB-CG 3.99Å; F84-M111 HydrophobicContact CB-SD 3.62Å; F84-M111 HydrophobicContact CD2-CG 3.98Å; F84-M111 HydrophobicContact CG-CG 3.96Å; F84-M111 HydrophobicContact CG-SD 4.24Å; R107-M111 HydrophobicContact CG-CG 4.37Å; R107-M111 HydrophobicContact CG-SD 3.84Å; R107-M111 WeakPolarHBondContact O-CB 3.28Å; R107-M111 VanDerWaalsContact O-CG 3.3Å; R107-M111 WeakPolarHBondContact O-CG 3.4Å; R107-M111 PolarHBondContact O-N 3.23Å; M111-A113 VanDerWaalsContact C-N 3.34Å; M111-A113 PolarHBondContact O-N 3.33Å; M111-I114 PolarHBondContact O-N 2.77Å; M111-E115 VanDerWaalsContact O-CB 3.29Å; M111-E115 WeakPolarHBondContact O-CB 3.37Å; M111-E115 PolarHBondContact O-N 2.9Å
112	T	97.9	Very high	95.7	Very high	78 Å²	78	54.2 Å²	54.2	48%	0.479	30%	0.304	S	S	.	.	H	α-helix	trans	-62.9	-41.8	178	-56.7	0	0	0	0	111.1	K108 E109 W110 S116	K108-T112 VanDerWaalsContact O-CB 3.24Å; K108-T112 WeakPolarHBondContact O-CB 3.43Å; K108-T112 PolarHBondContact O-N 3.48Å; K108-T112 PolarHBondContact O-OG1 3.22Å; E109-T112 PolarHBondContact O-N 2.77Å; W110-T112 VanDerWaalsContact C-N 3.34Å; W110-T112 PolarHBondContact O-N 2.7Å; T112-S116 VanDerWaalsContact O-CB 3.3Å; T112-S116 WeakPolarHBondContact O-CB 3.5Å; T112-S116 PolarHBondContact O-N 2.98Å
113	A	97.8	Very high	95.2	Very high	12 Å²	12	55.7 Å²	55.7	10%	0.099	30%	0.3	C	S	.	.	H	α-helix	trans	-64.5	-46.5	176.8	0	0	0	0	0	112	V19 H20 L41 E109 W110 M111 S116 V117	V19-A113 HydrophobicContact CG1-CB 4.38Å; H20-A113 HydrophobicContact CB-CB 3.66Å; L41-A113 HydrophobicContact CD2-CB 3.92Å; E109-A113 WeakPolarHBondContact O-CB 3.33Å; E109-A113 PolarHBondContact O-N 2.72Å; W110-A113 PolarHBondContact O-N 2.92Å; M111-A113 VanDerWaalsContact C-N 3.34Å; M111-A113 PolarHBondContact O-N 3.33Å; A113-S116 PolarHBondContact O-N 3.22Å; A113-V117 WeakPolarHBondContact O-CG2 3.41Å; A113-V117 PolarHBondContact O-N 2.89Å; A113-V117 VanDerWaalsContact O-N 3.09Å
114	I	97.1	Very high	94.6	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	31%	0.307	C	S	.	.	H	α-helix	trans	-63	-45.1	178.6	-67.6	167.8	0	0	0	110.9	L41 V68 L73 F84 V86 W110 M111 S116 V117 S118	L41-I114 HydrophobicContact CD2-CG1 3.94Å; V68-I114 HydrophobicContact CB-CG2 3.84Å; V68-I114 HydrophobicContact CG1-CG2 3.81Å; V68-I114 HydrophobicContact CG2-CG2 4.32Å; L73-I114 HydrophobicContact CD1-CB 4.16Å; L73-I114 HydrophobicContact CD1-CG2 4.05Å; L73-I114 HydrophobicContact CD2-CB 4.43Å; L73-I114 HydrophobicContact CD2-CG2 3.93Å; L73-I114 HydrophobicContact CG-CG2 4.32Å; F84-I114 HydrophobicContact CE2-CD1 4.04Å; V86-I114 HydrophobicContact CG2-CD1 4.1Å; W110-I114 HydrophobicContact CE3-CD1 4.35Å; W110-I114 VanDerWaalsContact O-CG1 3.29Å; W110-I114 WeakPolarHBondContact O-CG1 3.21Å; W110-I114 PolarHBondContact O-N 2.88Å; M111-I114 PolarHBondContact O-N 2.77Å; I114-S116 PolarHBondContact O-N 2.82Å; I114-V117 PolarHBondContact O-N 3.22Å; I114-S118 WeakPolarHBondContact O-CB 3.24Å; I114-S118 PolarHBondContact O-N 3.15Å
115	E	96.5	Very high	93.6	Very high	106 Å²	106	57.2 Å²	57.2	50%	0.495	30%	0.3	S	S	.	.	H	α-helix	trans	-63.2	-42.2	178.8	-163.7	163.5	-141.2	0	0	111.5	L73 M111 V117 S118 N119	L73-E115 HydrophobicContact CD1-CB 3.78Å; L73-E115 HydrophobicContact CD1-CG 4.46Å; M111-E115 VanDerWaalsContact O-CB 3.29Å; M111-E115 WeakPolarHBondContact O-CB 3.37Å; M111-E115 PolarHBondContact O-N 2.9Å; E115-V117 PolarHBondContact O-N 2.99Å; E115-S118 PolarHBondContact O-N 3.12Å; E115-N119 WeakPolarHBondContact O-CB 3.43Å; E115-N119 VanDerWaalsContact O-CG 3.25Å; E115-N119 PolarHBondContact O-N 3.41Å; E115-N119 PolarHBondContact O-ND2 2.99Å
116	S	96.6	Very high	92.5	Very high	75 Å²	75	57.7 Å²	57.7	52%	0.524	30%	0.3	S	S	.	.	H	α-helix	trans	-59.4	-43.8	175.7	-175.9	0	0	0	0	112.2	T112 A113 I114 L120	T112-S116 VanDerWaalsContact O-CB 3.3Å; T112-S116 WeakPolarHBondContact O-CB 3.5Å; T112-S116 PolarHBondContact O-N 2.98Å; A113-S116 PolarHBondContact O-N 3.22Å; I114-S116 PolarHBondContact O-N 2.82Å; S116-L120 WeakPolarHBondContact O-CB 3.31Å; S116-L120 PolarHBondContact O-N 2.93Å; S116-L120 VanDerWaalsContact O-N 3.09Å
117	V	96	Very high	91.4	Very high	4 Å²	4	62.1 Å²	62.1	2%	0.024	32%	0.321	C	S	.	.	H	α-helix	trans	-69.2	-44.8	178.2	175.5	0	0	0	0	111	V19 L41 V68 A113 I114 E115 N119 L120 L121	V19-V117 HydrophobicContact CB-CG2 4.03Å; V19-V117 HydrophobicContact CG1-CG2 3.86Å; V19-V117 HydrophobicContact CG2-CG2 3.76Å; L41-V117 HydrophobicContact CD2-CG2 3.94Å; L41-V117 HydrophobicContact CG-CG2 4.23Å; V68-V117 HydrophobicContact CG2-CB 4.31Å; V68-V117 HydrophobicContact CG2-CG1 3.95Å; A113-V117 WeakPolarHBondContact O-CG2 3.41Å; A113-V117 PolarHBondContact O-N 2.89Å; A113-V117 VanDerWaalsContact O-N 3.09Å; I114-V117 PolarHBondContact O-N 3.22Å; E115-V117 PolarHBondContact O-N 2.99Å; V117-N119 VanDerWaalsContact C-N 3.29Å; V117-N119 PolarHBondContact O-N 2.91Å; V117-L120 PolarHBondContact O-N 2.89Å; V117-L121 HydrophobicContact CG1-CD1 4.02Å; V117-L121 HydrophobicContact CG1-CG 4.49Å; V117-L121 WeakPolarHBondContact O-CG 3.43Å; V117-L121 PolarHBondContact O-N 2.69Å; V117-L121 VanDerWaalsContact O-N 3.08Å
118	S	93.4	Very high	89.9	Confident	3 Å²	3	63.3 Å²	63.3	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-61.1	-37.9	178.6	-176.4	0	0	0	0	112.4	V68 D70 C71 I114 E115 K122	V68-S118 WeakPolarHBondContact O-CB 3.47Å; V68-S118 PolarHBondContact O-OG 2.91Å; D70-S118 PolarHBondContact N-OG 3.46Å; C71-S118 PolarHBondContact N-OG 2.78Å; I114-S118 WeakPolarHBondContact O-CB 3.24Å; I114-S118 PolarHBondContact O-N 3.15Å; E115-S118 PolarHBondContact O-N 3.12Å; S118-K122 PolarHBondContact O-N 3.19Å
119	N	93.4	Very high	88	Confident	74 Å²	74	59 Å²	59	40%	0.396	32%	0.324	S	S	.	.	H	α-helix	trans	-72.2	-41.6	178.6	-71.8	-23.2	0	0	0	111.8	E115 V117 L121 K122 E123	E115-N119 WeakPolarHBondContact O-CB 3.43Å; E115-N119 VanDerWaalsContact O-CG 3.25Å; E115-N119 PolarHBondContact O-N 3.41Å; E115-N119 PolarHBondContact O-ND2 2.99Å; V117-N119 VanDerWaalsContact C-N 3.29Å; V117-N119 PolarHBondContact O-N 2.91Å; N119-L121 VanDerWaalsContact C-N 3.29Å; N119-L121 PolarHBondContact O-N 3.25Å; N119-K122 WeakPolarHBondContact O-CB 3.46Å; N119-K122 PolarHBondContact O-N 2.83Å; N119-E123 PolarHBondContact O-N 3.36Å
120	L	92.5	Very high	86.3	Confident	80 Å²	80	60.5 Å²	60.5	42%	0.419	33%	0.33	S	S	.	.	H	α-helix	trans	-56.4	-44.6	174.9	179.5	67.1	0	0	0	111.5	S116 V117 K122 E123 L124	S116-L120 WeakPolarHBondContact O-CB 3.31Å; S116-L120 PolarHBondContact O-N 2.93Å; S116-L120 VanDerWaalsContact O-N 3.09Å; V117-L120 PolarHBondContact O-N 2.89Å; L120-K122 PolarHBondContact O-N 3.1Å; L120-E123 PolarHBondContact O-N 2.76Å; L120-L124 HydrophobicContact CG-CD1 4.28Å; L120-L124 WeakPolarHBondContact O-CG 3.37Å; L120-L124 PolarHBondContact O-N 2.71Å
121	L	88.1	Confident	84.1	Confident	19 Å²	19	63.9 Å²	63.9	10%	0.099	35%	0.353	C	S	.	.	H	α-helix	trans	-67.3	-35.5	179.2	-66	170.2	0	0	0	112.7	D44 K69 V117 N119 E123 L124 D125	D44-L121 WeakPolarHBondContact O-CD1 3.41Å; K69-L121 HydrophobicContact CB-CD1 4.12Å; K69-L121 HydrophobicContact CG-CB 4.33Å; K69-L121 HydrophobicContact CG-CD1 4.28Å; V117-L121 HydrophobicContact CG1-CD1 4.02Å; V117-L121 HydrophobicContact CG1-CG 4.49Å; V117-L121 WeakPolarHBondContact O-CG 3.43Å; V117-L121 PolarHBondContact O-N 2.69Å; V117-L121 VanDerWaalsContact O-N 3.08Å; N119-L121 VanDerWaalsContact C-N 3.29Å; N119-L121 PolarHBondContact O-N 3.25Å; L121-E123 VanDerWaalsContact C-N 3.34Å; L121-L124 HydrophobicContact CD2-CD1 4.43Å; L121-L124 PolarHBondContact O-N 3.48Å; L121-D125 WeakPolarHBondContact O-CB 3.23Å; L121-D125 PolarHBondContact O-N 3.33Å
122	K	86.2	Confident	81.9	Confident	86 Å²	86	68.5 Å²	68.5	37%	0.374	38%	0.377	S	S	.	.	H	α-helix	trans	-63.1	-40.2	173	-82.4	176.9	179.9	166.1	0	112.3	D70 S118 N119 L120 A126	D70-K122 WeakPolarHBondContact OD1-CE 3.21Å; D70-K122 WeakPolarHBondContact OD1-CG 3.38Å; S118-K122 PolarHBondContact O-N 3.19Å; N119-K122 WeakPolarHBondContact O-CB 3.46Å; N119-K122 PolarHBondContact O-N 2.83Å; L120-K122 PolarHBondContact O-N 3.1Å; K122-A126 WeakPolarHBondContact O-CB 3.26Å; K122-A126 PolarHBondContact O-N 2.86Å
123	E	86.2	Confident	79.2	Confident	130 Å²	130	71.9 Å²	71.9	61%	0.607	39%	0.392	S	S	*	.	H	α-helix	trans	-65.6	-44.8	177.2	-72.1	177.7	176.3	0	0	111.4	N119 L120 L121 D125 A126 E127	N119-E123 PolarHBondContact O-N 3.36Å; L120-E123 PolarHBondContact O-N 2.76Å; L121-E123 VanDerWaalsContact C-N 3.34Å; E123-D125 PolarHBondContact O-N 2.86Å; E123-A126 PolarHBondContact O-N 2.95Å; E123-E127 PolarHBondContact O-N 3.36Å
124	L	83.4	Confident	76.6	Confident	87 Å²	87	79.3 Å²	79.3	46%	0.455	42%	0.424	S	S	.	.	H	α-helix	trans	-61.4	-43.6	176.5	-70	170.7	0	0	0	112.3	L120 L121 A126 E127 A128	L120-L124 HydrophobicContact CG-CD1 4.28Å; L120-L124 WeakPolarHBondContact O-CG 3.37Å; L120-L124 PolarHBondContact O-N 2.71Å; L121-L124 HydrophobicContact CD2-CD1 4.43Å; L121-L124 PolarHBondContact O-N 3.48Å; L124-A126 VanDerWaalsContact C-N 3.35Å; L124-E127 PolarHBondContact O-N 3.28Å; L124-A128 WeakPolarHBondContact O-CB 3.27Å; L124-A128 PolarHBondContact O-N 3.1Å
125	D	75.9	Confident	73.5	Confident	69 Å²	69	86.1 Å²	86.1	37%	0.369	46%	0.461	S	S	.	.	H	α-helix	trans	-63.7	-40	175.1	-85.3	2.9	0	0	0	111.9	K69 L121 E123 E127 A128 A129	K69-D125 WeakPolarHBondContact CE-OD2 2.79Å; K69-D125 IonicContact NZ-OD1 2.75Å; K69-D125 PolarHBondContact NZ-OD1 3.32Å; K69-D125 IonicContact NZ-OD2 2.74Å; K69-D125 PolarHBondContact NZ-OD2 3.35Å; L121-D125 WeakPolarHBondContact O-CB 3.23Å; L121-D125 PolarHBondContact O-N 3.33Å; E123-D125 PolarHBondContact O-N 2.86Å; D125-E127 VanDerWaalsContact C-N 3.35Å; D125-A128 PolarHBondContact O-N 3.41Å; D125-A129 VanDerWaalsContact O-CB 3.3Å; D125-A129 WeakPolarHBondContact O-CB 3.43Å; D125-A129 PolarHBondContact O-N 3.17Å
126	A	75	Confident	70.2	Confident	48 Å²	48	84.4 Å²	84.4	40%	0.397	47%	0.471	S	S	.	.	H	α-helix	trans	-66.7	-35.7	177.7	0	0	0	0	0	112.2	K122 E123 L124 K130	K122-A126 WeakPolarHBondContact O-CB 3.26Å; K122-A126 PolarHBondContact O-N 2.86Å; E123-A126 PolarHBondContact O-N 2.95Å; L124-A126 VanDerWaalsContact C-N 3.35Å; A126-K130 VanDerWaalsContact O-CG 3.31Å; A126-K130 WeakPolarHBondContact O-CG 3.31Å; A126-K130 PolarHBondContact O-N 3.13Å; A126-K130 VanDerWaalsContact O-N 3.13Å
127	E	74	Confident	66.8	Low	133 Å²	133	88.8 Å²	88.8	62%	0.621	49%	0.489	S	S	*	.	H	α-helix	trans	-70.1	-42.6	172.6	-80.4	-177.4	159.3	0	0	112.3	E123 L124 D125 K130 S131	E123-E127 PolarHBondContact O-N 3.36Å; L124-E127 PolarHBondContact O-N 3.28Å; D125-E127 VanDerWaalsContact C-N 3.35Å; E127-K130 PolarHBondContact O-N 3.45Å; E127-S131 PolarHBondContact O-N 3.27Å
128	A	67.4	Low	63.4	Low	43 Å²	43	94.7 Å²	94.7	36%	0.355	53%	0.525	S	S	.	.	H	α-helix	trans	-61.1	-45.4	175.1	0	0	0	0	0	111.3	L124 D125 K130 S131 I132	L124-A128 WeakPolarHBondContact O-CB 3.27Å; L124-A128 PolarHBondContact O-N 3.1Å; D125-A128 PolarHBondContact O-N 3.41Å; A128-K130 VanDerWaalsContact C-N 3.32Å; A128-K130 PolarHBondContact O-N 3.42Å; A128-S131 PolarHBondContact O-N 3.36Å; A128-S131 VanDerWaalsContact O-N 3.15Å; A128-S131 PolarHBondContact O-OG 3.47Å; A128-S131 VanDerWaalsContact O-OG 3.06Å; A128-I132 VanDerWaalsContact O-CG1 3.32Å; A128-I132 WeakPolarHBondContact O-CG1 3.43Å; A128-I132 PolarHBondContact O-N 2.91Å
129	A	57.6	Low	60.2	Low	50 Å²	50	103.5 Å²	103.5	41%	0.413	57%	0.568	S	S	.	*	H	α-helix	trans	-61.6	-38.1	176.4	0	0	0	0	0	112.5	D125 L133	D125-A129 VanDerWaalsContact O-CB 3.3Å; D125-A129 WeakPolarHBondContact O-CB 3.43Å; D125-A129 PolarHBondContact O-N 3.17Å; A129-L133 PolarHBondContact O-N 2.99Å
130	K	61.6	Low	56.9	Low	148 Å²	148	105.5 Å²	105.5	64%	0.643	59%	0.586	S	S	*	*	H	α-helix	trans	-66.3	-35.8	174.3	-79	173.4	-177.1	172.5	0	112.8	A126 E127 A128	A126-K130 VanDerWaalsContact O-CG 3.31Å; A126-K130 WeakPolarHBondContact O-CG 3.31Å; A126-K130 PolarHBondContact O-N 3.13Å; A126-K130 VanDerWaalsContact O-N 3.13Å; E127-K130 PolarHBondContact O-N 3.45Å; A128-K130 VanDerWaalsContact C-N 3.32Å; A128-K130 PolarHBondContact O-N 3.42Å
131	S	51.7	Low	53.8	Low	71 Å²	71	108.1 Å²	108.1	50%	0.497	60%	0.601	S	S	.	*	H	α-helix	trans	-73.1	-35.2	178.3	85.6	0	0	0	0	112.3	E127 A128 Q134	E127-S131 PolarHBondContact O-N 3.27Å; A128-S131 PolarHBondContact O-N 3.36Å; A128-S131 VanDerWaalsContact O-N 3.15Å; A128-S131 PolarHBondContact O-OG 3.47Å; A128-S131 VanDerWaalsContact O-OG 3.06Å; S131-Q134 PolarHBondContact O-N 2.82Å
132	I	50.8	Low	50.9	Low	121 Å²	121	112 Å²	112	62%	0.621	64%	0.636	S	S	*	*	H	α-helix	trans	-66.5	-37.4	175.7	-66.3	165.1	0	0	0	111.1	A128 Q134 N135	A128-I132 VanDerWaalsContact O-CG1 3.32Å; A128-I132 WeakPolarHBondContact O-CG1 3.43Å; A128-I132 PolarHBondContact O-N 2.91Å; I132-Q134 PolarHBondContact O-N 2.87Å; I132-N135 PolarHBondContact O-N 2.89Å
133	L	41.9	Very low	48	Very low	150 Å²	150	112.7 Å²	112.7	79%	0.785	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.2	-16.1	176.1	-80.6	160.6	0	0	0	114.2	A129	A129-L133 PolarHBondContact O-N 2.99Å
134	Q	42.8	Very low	45.3	Very low	168 Å²	168	109.9 Å²	109.9	79%	0.785	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-15.7	176.9	-78.7	-175.4	-13.3	0	0	114.1	S131 I132	S131-Q134 PolarHBondContact O-N 2.82Å; I132-Q134 PolarHBondContact O-N 2.87Å
135	N	32	Very low	42.5	Very low	144 Å²	144	113 Å²	113	77%	0.77	67%	0.674	S	S	*	*			trans	-128.6	60.1	-177.7	-75.9	-25.6	0	0	0	111.2	I132 D137	I132-N135 PolarHBondContact O-N 2.89Å; N135-D137 PolarHBondContact O-N 2.83Å
136	G	28.2	Very low	40	Very low	70 Å²	70	115.7 Å²	115.7	72%	0.722	70%	0.695	S	S	*	*			trans	-94.1	71.6	173.8	0	0	0	0	0	112
137	D	25.1	Very low	37.7	Very low	166 Å²	166	119 Å²	119	89%	0.888	71%	0.71	S	S	*	*			trans	-83.5	128.2	167.9	-109.2	-19.9	0	0	0	110.4	N135	N135-D137 PolarHBondContact O-N 2.83Å
138	V	24.3	Very low	35.4	Very low	129 Å²	129	122.6 Å²	122.6	78%	0.782	72%	0.723	S	S	*	*			trans	-72.6	124.9	-179.3	176.1	0	0	0	0	109.4
139	M	25.6	Very low	33.5	Very low	188 Å²	188	127.7 Å²	127.7	93%	0.926	74%	0.744	S	S	*	*			trans	-120.1	107.1	163.7	-85.4	-77.4	-172.2	0	0	109.4
140	C	25.4	Very low	32	Very low	116 Å²	116	134.1 Å²	134.1	78%	0.784	77%	0.766	S	S	*	*			trans	-83.9	129.9	158.8	51.7	0	0	0	0	108.6
141	D	27.1	Very low	30.5	Very low	135 Å²	135	136.3 Å²	136.3	72%	0.722	78%	0.777	S	S	*	*			trans	-111	124.8	161.5	-176.5	-50.2	0	0	0	108.7	S143	D141-S143 WeakPolarHBondContact OD1-CB 3.26Å; D141-S143 PolarHBondContact OD1-N 2.97Å; D141-S143 VanDerWaalsContact OD1-N 3.14Å; D141-S143 PolarHBondContact OD1-OG 3.47Å
142	A	25.9	Very low	29.9	Very low	101 Å²	101	136.5 Å²	136.5	84%	0.835	78%	0.784	S	S	*	*			trans	-92.2	105.7	166.2	0	0	0	0	0	108.9
143	S	27.2	Very low	29.9	Very low	99 Å²	99	138.1 Å²	138.1	69%	0.692	79%	0.79	S	S	*	*			trans	-147.4	80.5	163.1	43	0	0	0	0	110.1	D141 L145	D141-S143 WeakPolarHBondContact OD1-CB 3.26Å; D141-S143 PolarHBondContact OD1-N 2.97Å; D141-S143 VanDerWaalsContact OD1-N 3.14Å; D141-S143 PolarHBondContact OD1-OG 3.47Å; S143-L145 PolarHBondContact O-N 3.35Å
144	G	27.7	Very low	31.3	Very low	71 Å²	71	138.2 Å²	138.2	73%	0.732	78%	0.78	S	S	*	*			trans	-64.2	127.7	162.6	0	0	0	0	0	110.1
145	L	24.8	Very low	33.2	Very low	154 Å²	154	131.2 Å²	131.2	81%	0.806	75%	0.748	S	S	*	*			trans	-160.4	108	147.9	-124.3	100.9	0	0	0	108.1	S143 T147	S143-L145 PolarHBondContact O-N 3.35Å; L145-T147 PolarHBondContact O-N 2.76Å
146	P	25.1	Very low	35.8	Very low	125 Å²	125	127 Å²	127	81%	0.812	73%	0.728	S	S	*	*			trans	-80.6	111.4	166.9	29.7	-25.6	0	0	0	107.8	K148	P146-K148 PolarHBondContact O-N 2.94Å
147	T	26.7	Very low	38.7	Very low	116 Å²	116	125.3 Å²	125.3	71%	0.712	70%	0.702	S	S	*	*			trans	-67.3	113.1	168.8	26.1	0	0	0	0	108.8	L145 L149	L145-T147 PolarHBondContact O-N 2.76Å; T147-L149 VanDerWaalsContact C-N 3.3Å; T147-L149 PolarHBondContact O-N 2.81Å
148	K	24.5	Very low	41.7	Very low	209 Å²	209	124.9 Å²	124.9	91%	0.909	69%	0.694	S	S	*	*			trans	-58	92	164	-78.1	178	172.6	178.7	0	109	P146	P146-K148 PolarHBondContact O-N 2.94Å
149	L	27	Very low	44.9	Very low	150 Å²	150	120.1 Å²	120.1	79%	0.785	66%	0.664	S	S	*	*			trans	-83.8	127.8	154.8	-91.9	132.1	0	0	0	107.3	T147 H151	T147-L149 VanDerWaalsContact C-N 3.3Å; T147-L149 PolarHBondContact O-N 2.81Å; L149-H151 PolarHBondContact O-N 2.78Å
150	E	27.3	Very low	48.2	Very low	186 Å²	186	111.6 Å²	111.6	87%	0.869	62%	0.622	S	S	*	*			trans	-46.5	135.6	-179.4	-66.2	173.2	147	0	0	110.4	A152	E150-A152 PolarHBondContact O-N 2.65Å
151	H	30.3	Very low	51.4	Low	193 Å²	193	109.1 Å²	109.1	89%	0.894	60%	0.604	S	S	*	*			trans	-65.2	75.7	174.4	-76	64.3	0	0	0	109.4	L149 M153	L149-H151 PolarHBondContact O-N 2.78Å; H151-M153 PolarHBondContact O-N 3.3Å
152	A	37.4	Very low	54.7	Low	76 Å²	76	104.6 Å²	104.6	63%	0.628	58%	0.579	S	S	*	*			trans	-62.1	120.8	149.5	0	0	0	0	0	105.4	E150 R154	E150-A152 PolarHBondContact O-N 2.65Å; A152-R154 PolarHBondContact O-N 3.15Å
153	M	51.1	Low	57.8	Low	154 Å²	154	102.8 Å²	102.8	76%	0.759	56%	0.555	S	S	*	*			trans	-48.9	111.3	178.7	-76.7	178.5	74.4	0	0	108.8	H151 I155	H151-M153 PolarHBondContact O-N 3.3Å; M153-I155 PolarHBondContact O-N 3.47Å
154	R	72.5	Confident	61	Low	153 Å²	153	101.5 Å²	101.5	58%	0.577	54%	0.537	S	S	*	.			trans	-70.8	101.6	-173.9	-151.7	178.2	-165.7	167.9	3.4	106.5	A152 T156 E472	A152-R154 PolarHBondContact O-N 3.15Å; R154-T156 WeakPolarHBondContact O-CG2 3.46Å; R154-T156 PolarHBondContact O-N 2.82Å; R154-E472 IonicContact CZ-OE2 3.61Å; R154-E472 VanDerWaalsContact NH1-CD 3.33Å; R154-E472 IonicContact NH1-OE1 3.39Å; R154-E472 PolarHBondContact NH1-OE1 3.03Å; R154-E472 IonicContact NH1-OE2 3.52Å; R154-E472 PolarHBondContact NH1-OE2 2.87Å
155	I	81.2	Confident	64	Low	21 Å²	21	98.1 Å²	98.1	11%	0.108	50%	0.502	C	S	.	.			trans	-53.9	129.8	175.5	-68.1	-72	0	0	0	109.5	M153 F160 Y225 F227 H485	M153-I155 PolarHBondContact O-N 3.47Å; I155-F160 HydrophobicContact CG2-CE2 3.62Å; I155-F160 HydrophobicContact CG2-CZ 4.01Å; I155-Y225 HydrophobicContact CG1-CD1 4.12Å; I155-Y225 HydrophobicContact CG1-CE1 4.05Å; I155-Y225 HydrophobicContact CG1-CG 4.47Å; I155-Y225 HydrophobicContact CG2-CD2 4.24Å; I155-Y225 HydrophobicContact CG2-CG 4.23Å; I155-F227 HydrophobicContact CG2-CD1 4.07Å; I155-F227 HydrophobicContact CG2-CE1 4.06Å; I155-H485 PolarHBondContact N-NE2 3.43Å
156	T	88.4	Confident	67.1	Low	56 Å²	56	91.3 Å²	91.3	34%	0.344	47%	0.466	S	S	.	.			trans	-124.9	173.8	177	69.5	0	0	0	0	110.3	R154 E158 D159 F160	R154-T156 WeakPolarHBondContact O-CG2 3.46Å; R154-T156 PolarHBondContact O-N 2.82Å; T156-E158 PolarHBondContact O-N 2.97Å; T156-E158 PolarHBondContact OG1-N 3.08Å; T156-D159 PolarHBondContact N-OD2 2.74Å; T156-D159 WeakPolarHBondContact O-CB 3.31Å; T156-D159 PolarHBondContact O-N 3.22Å; T156-D159 PolarHBondContact OG1-OD2 2.64Å; T156-D159 VanDerWaalsContact OG1-OD2 3.1Å; T156-F160 VanDerWaalsContact O-CD2 3.31Å; T156-F160 WeakPolarHBondContact O-CD2 3.23Å; T156-F160 WeakPolarHBondContact O-CE2 3.07Å
157	L	87.5	Confident	70	Confident	33 Å²	33	86.1 Å²	86.1	17%	0.173	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-65.4	-22.9	173.9	-160.3	74.6	0	0	0	112.5	D159 F160 L162 I188 I190 F227 L458	L157-D159 PolarHBondContact O-N 2.81Å; L157-F160 PolarHBondContact O-N 2.76Å; L157-L162 HydrophobicContact CD1-CD2 4.32Å; L157-L162 HydrophobicContact CD2-CD1 4.4Å; L157-I188 HydrophobicContact CD1-CD1 4.38Å; L157-I188 HydrophobicContact CD1-CG2 4.42Å; L157-I190 HydrophobicContact CD1-CD1 4.02Å; L157-I190 HydrophobicContact CD2-CD1 4.49Å; L157-F227 HydrophobicContact CB-CE2 4.12Å; L157-F227 HydrophobicContact CB-CZ 4.2Å; L157-F227 HydrophobicContact CD1-CE2 4.49Å; L157-F227 HydrophobicContact CD1-CZ 4.03Å; L157-L458 HydrophobicContact CD2-CD1 3.19Å
158	E	89.4	Confident	72.5	Confident	157 Å²	157	86.4 Å²	86.4	73%	0.734	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-70.5	-16.9	178.8	-62.3	177.8	-174.8	0	0	112.5	T156 F160 K180	T156-E158 PolarHBondContact O-N 2.97Å; T156-E158 PolarHBondContact OG1-N 3.08Å; E158-F160 PolarHBondContact O-N 2.83Å; E158-K180 WeakPolarHBondContact O-CE 3.29Å; E158-K180 PolarHBondContact O-NZ 3.47Å
159	D	91.8	Very high	74.8	Confident	29 Å²	29	78.9 Å²	78.9	16%	0.155	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-76	-5	174.8	-62.5	-64.4	0	0	0	112.9	T156 L157 K180 H181	T156-D159 PolarHBondContact N-OD2 2.74Å; T156-D159 WeakPolarHBondContact O-CB 3.31Å; T156-D159 PolarHBondContact O-N 3.22Å; T156-D159 PolarHBondContact OG1-OD2 2.64Å; T156-D159 VanDerWaalsContact OG1-OD2 3.1Å; L157-D159 PolarHBondContact O-N 2.81Å; D159-K180 WeakPolarHBondContact O-CB 3.44Å; D159-K180 WeakPolarHBondContact O-CG 3.42Å; D159-K180 PolarHBondContact O-N 2.86Å; D159-H181 IonicContact OD1-CE1 2.79Å
160	F	93.2	Very high	77	Confident	9 Å²	9	76.1 Å²	76.1	4%	0.039	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	146	-177.8	-59.1	-89.5	0	0	0	112	I155 T156 L157 E158 A177 R178 E179 F186 I188 Y225 F227 V236	I155-F160 HydrophobicContact CG2-CE2 3.62Å; I155-F160 HydrophobicContact CG2-CZ 4.01Å; T156-F160 VanDerWaalsContact O-CD2 3.31Å; T156-F160 WeakPolarHBondContact O-CD2 3.23Å; T156-F160 WeakPolarHBondContact O-CE2 3.07Å; L157-F160 PolarHBondContact O-N 2.76Å; E158-F160 PolarHBondContact O-N 2.83Å; F160-A177 HydrophobicContact CB-CB 4.13Å; F160-A177 HydrophobicContact CD1-CB 4.43Å; F160-R178 CarbonylContact C-O 3.6Å; F160-R178 WeakPolarHBondContact CA-O 3.45Å; F160-E179 HydrophobicContact CD1-CB 3.99Å; F160-E179 HydrophobicContact CE1-CB 3.82Å; F160-E179 HydrophobicContact CE1-CG 4.18Å; F160-F186 HydrophobicContact CE1-CD2 4.13Å; F160-I188 HydrophobicContact CB-CD1 4Å; F160-I188 HydrophobicContact CD1-CD1 3.81Å; F160-I188 HydrophobicContact CD2-CD1 4.02Å; F160-I188 HydrophobicContact CE1-CD1 4.31Å; F160-I188 HydrophobicContact CE2-CD1 4.5Å; F160-I188 HydrophobicContact CG-CD1 3.66Å; F160-Y225 AromaticContact CZ-CD2 3.91Å; F160-Y225 HydrophobicContact CZ-CD2 3.91Å; F160-Y225 HydrophobicContact CZ-CE2 4.13Å; F160-F227 HydrophobicContact CE2-CE1 4.16Å; F160-V236 HydrophobicContact CE1-CG1 3.88Å; F160-V236 HydrophobicContact CE1-CG2 4.45Å; F160-V236 HydrophobicContact CE2-CG2 4.19Å; F160-V236 HydrophobicContact CZ-CG1 3.97Å; F160-V236 HydrophobicContact CZ-CG2 3.87Å
161	V	94.2	Very high	79.5	Confident	65 Å²	65	69.6 Å²	69.6	39%	0.394	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	112.4	164.5	-176.6	0	0	0	0	107.4	L163 A177 R178 K180	V161-L163 HydrophobicContact CG1-CD2 3.88Å; V161-L163 PolarHBondContact O-N 3.46Å; V161-A177 CarbonylContact O-C 3.54Å; V161-A177 WeakPolarHBondContact O-CA 3.35Å; V161-R178 HydrophobicContact CB-CB 4.44Å; V161-R178 PolarHBondContact N-O 2.95Å; V161-R178 PolarHBondContact O-N 2.98Å; V161-K180 HydrophobicContact CG2-CD 4.46Å; V161-K180 HydrophobicContact CG2-CG 3.83Å
162	L	94.5	Very high	82.1	Confident	40 Å²	40	61.3 Å²	61.3	21%	0.209	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	123.5	176	-56.1	-175.7	0	0	0	109.4	L157 I175 A177 I188 V456 L458	L157-L162 HydrophobicContact CD1-CD2 4.32Å; L157-L162 HydrophobicContact CD2-CD1 4.4Å; L162-I175 HydrophobicContact CB-CG2 4.04Å; L162-I175 HydrophobicContact CD1-CD1 4.24Å; L162-I175 HydrophobicContact CD2-CG2 4.13Å; L162-A177 HydrophobicContact CD2-CB 3.87Å; L162-I188 HydrophobicContact CD2-CD1 4.33Å; L162-V456 HydrophobicContact CB-CB 4.11Å; L162-V456 HydrophobicContact CB-CG2 4.29Å; L162-L458 HydrophobicContact CD1-CD1 4.42Å
163	L	92.8	Very high	84.6	Confident	63 Å²	63	59.2 Å²	59.2	33%	0.33	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-54.8	-172	-59.7	178.1	0	0	0	112.4	V161 L176 R178 L185 T442	V161-L163 HydrophobicContact CG1-CD2 3.88Å; V161-L163 PolarHBondContact O-N 3.46Å; L163-L176 WeakPolarHBondContact CA-O 3.42Å; L163-L176 HydrophobicContact CB-CD2 4.44Å; L163-L176 HydrophobicContact CB-CG 4.28Å; L163-L176 WeakPolarHBondContact CB-O 3.18Å; L163-L176 HydrophobicContact CD1-CD2 4.37Å; L163-L176 HydrophobicContact CD1-CG 4.23Å; L163-L176 PolarHBondContact N-O 3.29Å; L163-R178 HydrophobicContact CD1-CB 4.05Å; L163-R178 HydrophobicContact CG-CB 4.5Å; L163-L185 HydrophobicContact CD1-CD2 3.62Å; L163-T442 HydrophobicContact CD1-CG2 3.79Å
164	K	92.5	Very high	86.6	Confident	71 Å²	71	53.8 Å²	53.8	31%	0.309	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	143.8	-171.9	-141.7	172.1	-158.8	-175.2	0	112.8	I175 L176 T444 T452	K164-I175 CarbonylContact O-C 3.47Å; K164-I175 WeakPolarHBondContact O-CA 3.13Å; K164-I175 WeakPolarHBondContact O-CG2 3.27Å; K164-L176 HydrophobicContact CB-CB 4.31Å; K164-L176 PolarHBondContact N-O 2.74Å; K164-L176 PolarHBondContact O-N 3.21Å; K164-T444 HydrophobicContact CD-CG2 3.87Å; K164-T444 VanDerWaalsContact CD-OG1 3.23Å; K164-T444 WeakPolarHBondContact CD-OG1 3.25Å; K164-T444 PolarHBondContact NZ-OG1 3.44Å; K164-T452 HydrophobicContact CD-CG2 4.19Å; K164-T452 WeakPolarHBondContact CE-O 3.45Å; K164-T452 WeakPolarHBondContact CG-O 3.46Å
165	V	92.1	Very high	87.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	124.9	171.3	-178.4	0	0	0	0	108.4	F451 T452 E454 V456	V165-F451 WeakPolarHBondContact CB-O 3.1Å; V165-F451 HydrophobicContact CG1-CB 4.36Å; V165-F451 CarbonylContact O-C 3.6Å; V165-T452 WeakPolarHBondContact O-CA 3.42Å; V165-T452 PolarHBondContact O-N 3.47Å; V165-E454 HydrophobicContact CB-CB 4.31Å; V165-E454 HydrophobicContact CG2-CB 4.16Å; V165-V456 HydrophobicContact CG2-CG1 4.24Å
166	L	88.8	Confident	88.2	Confident	11 Å²	11	45.5 Å²	45.5	6%	0.058	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-30.7	179.8	-63.4	178.5	0	0	0	112	V174 L176 A187 Y239 T444 F447	L166-V174 HydrophobicContact CB-CB 4.48Å; L166-V174 HydrophobicContact CB-CG1 4.29Å; L166-V174 HydrophobicContact CD1-CG1 4.31Å; L166-V174 PolarHBondContact N-O 3.38Å; L166-L176 HydrophobicContact CD1-CB 3.95Å; L166-L176 HydrophobicContact CD2-CB 3.93Å; L166-L176 HydrophobicContact CG-CB 3.89Å; L166-A187 HydrophobicContact CD1-CB 4.2Å; L166-Y239 HydrophobicContact CD1-CD2 3.77Å; L166-Y239 HydrophobicContact CD1-CE2 3.57Å; L166-Y239 HydrophobicContact CD2-CE2 4.09Å; L166-Y239 HydrophobicContact CG-CE2 4.49Å; L166-T444 HydrophobicContact CD2-CG2 3.79Å; L166-F447 HydrophobicContact CB-CD1 4.02Å; L166-F447 HydrophobicContact CB-CE1 4.12Å; L166-F447 HydrophobicContact CD1-CE1 4.28Å; L166-F447 HydrophobicContact CD2-CD1 3.84Å; L166-F447 HydrophobicContact CD2-CD2 4.19Å; L166-F447 HydrophobicContact CD2-CE1 3.88Å; L166-F447 HydrophobicContact CD2-CE2 4.23Å; L166-F447 HydrophobicContact CD2-CG 3.99Å; L166-F447 HydrophobicContact CD2-CZ 4.09Å; L166-F447 HydrophobicContact CG-CD1 4.44Å; L166-F447 HydrophobicContact CG-CE1 4.31Å
167	G	85.9	Confident	88.6	Confident	16 Å²	16	42.9 Å²	42.9	17%	0.165	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	162.9	-178.5	0	0	0	0	0	112.5	R173 V174	G167-R173 WeakPolarHBondContact O-CA 3.15Å; G167-V174 PolarHBondContact N-O 2.85Å; G167-V174 PolarHBondContact O-N 3.2Å
168	K	80.3	Confident	89	Confident	123 Å²	123	43.4 Å²	43.4	54%	0.535	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	125.9	-177.8	-167.7	177	-168.2	162.6	0	109.8	F451 E454	K168-F451 HydrophobicContact CB-CD1 4.2Å; K168-F451 HydrophobicContact CB-CE1 4.14Å; K168-E454 IonicContact NZ-OE1 3.79Å; K168-E454 PolarHBondContact NZ-OE1 2.96Å; K168-E454 IonicContact NZ-OE2 2.85Å; K168-E454 PolarHBondContact NZ-OE2 3.44Å
169	G	73.4	Confident	89.3	Confident	50 Å²	50	36.2 Å²	36.2	52%	0.515	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	177.7	178.8	0	0	0	0	0	111.9	F171 G172	G169-F171 PolarHBondContact O-N 2.68Å; G169-G172 PolarHBondContact N-O 2.94Å; G169-G172 PolarHBondContact O-N 2.85Å
170	T	72.7	Confident	89.3	Confident	92 Å²	92	40.7 Å²	40.7	56%	0.564	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-33	-179.5	-41.1	0	0	0	0	113.7	K199	T170-K199 HydrophobicContact CG2-CD 4.09Å
171	F	79.1	Confident	89.2	Confident	49 Å²	49	46.5 Å²	46.5	22%	0.215	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-6.2	-171.1	-44.9	-69.6	0	0	0	113.4	G169 L191 K192 V195 I196 K199 E201	G169-F171 PolarHBondContact O-N 2.68Å; F171-L191 HydrophobicContact CB-CD2 4.18Å; F171-L191 WeakPolarHBondContact O-CA 3.41Å; F171-K192 PolarHBondContact O-N 3.42Å; F171-V195 HydrophobicContact CD1-CG1 4.16Å; F171-I196 HydrophobicContact CB-CG1 4.31Å; F171-K199 HydrophobicContact CD1-CD 4.06Å; F171-K199 HydrophobicContact CE1-CB 3.9Å; F171-K199 HydrophobicContact CE1-CD 3.53Å; F171-K199 HydrophobicContact CE1-CG 4.27Å; F171-E201 HydrophobicContact CE1-CB 3.99Å; F171-E201 HydrophobicContact CE1-CG 3.63Å; F171-E201 HydrophobicContact CE2-CG 4.49Å; F171-E201 HydrophobicContact CZ-CB 4.06Å; F171-E201 HydrophobicContact CZ-CG 3.52Å
172	G	85	Confident	89.1	Confident	20 Å²	20	46.8 Å²	46.8	21%	0.206	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.4	-159.5	-165.8	0	0	0	0	0	114.2	G169 I190	G169-G172 PolarHBondContact N-O 2.94Å; G169-G172 PolarHBondContact O-N 2.85Å; G172-I190 WeakPolarHBondContact CA-O 3.29Å
173	R	90.2	Very high	88.9	Confident	32 Å²	32	49.9 Å²	49.9	12%	0.121	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	155.1	-178.1	59.4	-174.7	-176.6	-177	12.4	111.3	G167 I175 I190 T455 V456 E457 L458	G167-R173 WeakPolarHBondContact O-CA 3.15Å; R173-I175 HydrophobicContact CG-CD1 4.19Å; R173-I175 HydrophobicContact CG-CG1 4.09Å; R173-I190 PolarHBondContact N-O 2.88Å; R173-I190 PolarHBondContact O-N 2.88Å; R173-T455 PolarHBondContact NH1-O 3.36Å; R173-V456 PolarHBondContact NH2-O 3.09Å; R173-E457 PolarHBondContact NH1-O 2.93Å; R173-E457 PolarHBondContact NH2-O 3.32Å; R173-L458 VanDerWaalsContact NH2-CG 3.34Å
174	V	92.4	Very high	89	Confident	39 Å²	39	47.9 Å²	47.9	24%	0.236	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127.5	174.5	-175.1	0	0	0	0	107.9	L166 G167 A187 I188 K189	L166-V174 HydrophobicContact CB-CB 4.48Å; L166-V174 HydrophobicContact CB-CG1 4.29Å; L166-V174 HydrophobicContact CD1-CG1 4.31Å; L166-V174 PolarHBondContact N-O 3.38Å; G167-V174 PolarHBondContact N-O 2.85Å; G167-V174 PolarHBondContact O-N 3.2Å; V174-A187 HydrophobicContact CG1-CB 3.95Å; V174-I188 CarbonylContact C-O 3.42Å; V174-I188 WeakPolarHBondContact CA-O 3.46Å; V174-K189 HydrophobicContact CG2-CB 4.23Å; V174-K189 HydrophobicContact CG2-CG 4.14Å
175	I	93.5	Very high	89.1	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	129.1	-175.6	-53	-176.5	0	0	0	109	L162 K164 R173 A177 I188 I190 V456	L162-I175 HydrophobicContact CB-CG2 4.04Å; L162-I175 HydrophobicContact CD1-CD1 4.24Å; L162-I175 HydrophobicContact CD2-CG2 4.13Å; K164-I175 CarbonylContact O-C 3.47Å; K164-I175 WeakPolarHBondContact O-CA 3.13Å; K164-I175 WeakPolarHBondContact O-CG2 3.27Å; R173-I175 HydrophobicContact CG-CD1 4.19Å; R173-I175 HydrophobicContact CG-CG1 4.09Å; I175-A177 PolarHBondContact O-N 2.79Å; I175-I188 PolarHBondContact N-O 3.31Å; I175-I188 PolarHBondContact O-N 2.86Å; I175-I190 HydrophobicContact CD1-CD1 3.7Å; I175-I190 HydrophobicContact CG1-CD1 4.38Å; I175-V456 HydrophobicContact CG2-CG1 4.14Å
176	L	95.3	Very high	89.2	Confident	1 Å²	1	44.8 Å²	44.8	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	124.4	164.6	178.8	61.3	0	0	0	108.9	L163 K164 L166 L185 F186 Y239 T444	L163-L176 WeakPolarHBondContact CA-O 3.42Å; L163-L176 HydrophobicContact CB-CD2 4.44Å; L163-L176 HydrophobicContact CB-CG 4.28Å; L163-L176 WeakPolarHBondContact CB-O 3.18Å; L163-L176 HydrophobicContact CD1-CD2 4.37Å; L163-L176 HydrophobicContact CD1-CG 4.23Å; L163-L176 PolarHBondContact N-O 3.29Å; K164-L176 HydrophobicContact CB-CB 4.31Å; K164-L176 PolarHBondContact N-O 2.74Å; K164-L176 PolarHBondContact O-N 3.21Å; L166-L176 HydrophobicContact CD1-CB 3.95Å; L166-L176 HydrophobicContact CD2-CB 3.93Å; L166-L176 HydrophobicContact CG-CB 3.89Å; L176-L185 HydrophobicContact CD1-CB 4.25Å; L176-L185 HydrophobicContact CD1-CD2 4.1Å; L176-L185 HydrophobicContact CG-CD2 4.47Å; L176-F186 WeakPolarHBondContact CA-O 3.4Å; L176-Y239 HydrophobicContact CD1-CD1 3.67Å; L176-Y239 HydrophobicContact CD1-CD2 3.9Å; L176-Y239 HydrophobicContact CD1-CE1 3.72Å; L176-Y239 HydrophobicContact CD1-CE2 3.96Å; L176-Y239 HydrophobicContact CD1-CG 3.76Å; L176-Y239 HydrophobicContact CD2-CE1 4.5Å; L176-T444 HydrophobicContact CD2-CG2 4.09Å
177	A	96.1	Very high	89.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.9	-179.6	0	0	0	0	0	111.5	F160 V161 L162 I175 L185 F186 I188	F160-A177 HydrophobicContact CB-CB 4.13Å; F160-A177 HydrophobicContact CD1-CB 4.43Å; V161-A177 CarbonylContact O-C 3.54Å; V161-A177 WeakPolarHBondContact O-CA 3.35Å; L162-A177 HydrophobicContact CD2-CB 3.87Å; I175-A177 PolarHBondContact O-N 2.79Å; A177-L185 CarbonylContact O-C 3.56Å; A177-L185 WeakPolarHBondContact O-CA 3.36Å; A177-F186 PolarHBondContact N-O 3.2Å; A177-F186 PolarHBondContact O-N 2.97Å; A177-I188 HydrophobicContact CB-CD1 3.43Å; A177-I188 VanDerWaalsContact CB-CD1 3.43Å; A177-I188 HydrophobicContact CB-CG1 3.8Å
178	R	95.4	Very high	90	Very high	44 Å²	44	43.9 Å²	43.9	17%	0.166	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.5	177.7	-176.6	179	-76	-78.5	-3.8	109.3	F160 V161 L163 K180 D183 E184 L185 D441	F160-R178 CarbonylContact C-O 3.6Å; F160-R178 WeakPolarHBondContact CA-O 3.45Å; V161-R178 HydrophobicContact CB-CB 4.44Å; V161-R178 PolarHBondContact N-O 2.95Å; V161-R178 PolarHBondContact O-N 2.98Å; L163-R178 HydrophobicContact CD1-CB 4.05Å; L163-R178 HydrophobicContact CG-CB 4.5Å; R178-K180 PolarHBondContact O-N 2.82Å; R178-D183 WeakPolarHBondContact CD-OD1 3.47Å; R178-D183 IonicContact CZ-OD1 3.08Å; R178-D183 IonicContact NE-OD1 3.92Å; R178-D183 PolarHBondContact NH1-O 3.14Å; R178-D183 IonicContact NH1-OD1 3.3Å; R178-D183 PolarHBondContact NH1-OD1 2.94Å; R178-D183 IonicContact NH1-OD2 3.74Å; R178-D183 PolarHBondContact NH1-OD2 3.26Å; R178-E184 CarbonylContact C-O 3.31Å; R178-E184 WeakPolarHBondContact CA-O 3.35Å; R178-L185 HydrophobicContact CB-CD2 3.85Å; R178-L185 HydrophobicContact CG-CD2 4.31Å; R178-D441 IonicContact CZ-OD2 3.61Å; R178-D441 IonicContact NH1-OD2 2.85Å; R178-D441 IonicContact NH2-OD1 3.78Å; R178-D441 IonicContact NH2-OD2 3.63Å; R178-D441 PolarHBondContact NH2-OD2 3.06Å
179	E	95.4	Very high	90.6	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.033	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	122.4	175.6	179.1	177.8	-157.3	0	0	109.7	F160 H181 T182 D183 E184 F186 K224 Y225	F160-E179 HydrophobicContact CD1-CB 3.99Å; F160-E179 HydrophobicContact CE1-CB 3.82Å; F160-E179 HydrophobicContact CE1-CG 4.18Å; E179-H181 VanDerWaalsContact C-N 3.27Å; E179-H181 PolarHBondContact O-N 2.62Å; E179-T182 WeakPolarHBondContact CB-OG1 3.28Å; E179-T182 HydrophobicContact CG-CG2 4.46Å; E179-T182 WeakPolarHBondContact CG-OG1 3.2Å; E179-T182 PolarHBondContact O-N 2.75Å; E179-T182 WeakPolarHBondContact OE2-CG2 3.39Å; E179-T182 PolarHBondContact OE2-OG1 3.32Å; E179-D183 VanDerWaalsContact O-CA 3.31Å; E179-D183 WeakPolarHBondContact O-CA 3.34Å; E179-D183 PolarHBondContact O-N 3.49Å; E179-E184 PolarHBondContact N-O 2.8Å; E179-F186 HydrophobicContact CB-CD2 4.19Å; E179-F186 HydrophobicContact CB-CE2 3.99Å; E179-K224 IonicContact OE2-NZ 2.78Å; E179-K224 PolarHBondContact OE2-NZ 2.79Å; E179-Y225 PolarHBondContact OE1-OH 2.97Å
180	K	93.1	Very high	91.5	Very high	123 Å²	123	37.1 Å²	37.1	54%	0.535	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-32.7	-171.3	-71	174.5	-179.9	177.3	0	113.8	E158 D159 V161 R178	E158-K180 WeakPolarHBondContact O-CE 3.29Å; E158-K180 PolarHBondContact O-NZ 3.47Å; D159-K180 WeakPolarHBondContact O-CB 3.44Å; D159-K180 WeakPolarHBondContact O-CG 3.42Å; D159-K180 PolarHBondContact O-N 2.86Å; V161-K180 HydrophobicContact CG2-CD 4.46Å; V161-K180 HydrophobicContact CG2-CG 3.83Å; R178-K180 PolarHBondContact O-N 2.82Å
181	H	90.6	Very high	92.4	Very high	130 Å²	130	33.1 Å²	33.1	60%	0.602	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-30.8	-173	-63.5	95.6	0	0	0	113.3	D159 E179	D159-H181 IonicContact OD1-CE1 2.79Å; E179-H181 VanDerWaalsContact C-N 3.27Å; E179-H181 PolarHBondContact O-N 2.62Å
182	T	91.8	Very high	92.8	Very high	72 Å²	72	33.5 Å²	33.5	44%	0.442	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	-13.1	-174	58.9	0	0	0	0	112.7	E179 E184	E179-T182 WeakPolarHBondContact CB-OG1 3.28Å; E179-T182 HydrophobicContact CG-CG2 4.46Å; E179-T182 WeakPolarHBondContact CG-OG1 3.2Å; E179-T182 PolarHBondContact O-N 2.75Å; E179-T182 WeakPolarHBondContact OE2-CG2 3.39Å; E179-T182 PolarHBondContact OE2-OG1 3.32Å; T182-E184 PolarHBondContact O-N 3.49Å; T182-E184 VanDerWaalsContact OG1-CB 3.29Å; T182-E184 WeakPolarHBondContact OG1-CB 3.29Å; T182-E184 PolarHBondContact OG1-N 3.49Å
183	D	91.5	Very high	92.8	Very high	104 Å²	104	33.2 Å²	33.2	56%	0.556	16%	0.161	S	C	*	.			trans	61.1	17.6	-171.2	-159.8	36.2	0	0	0	114	R178 E179	R178-D183 WeakPolarHBondContact CD-OD1 3.47Å; R178-D183 IonicContact CZ-OD1 3.08Å; R178-D183 IonicContact NE-OD1 3.92Å; R178-D183 PolarHBondContact NH1-O 3.14Å; R178-D183 IonicContact NH1-OD1 3.3Å; R178-D183 PolarHBondContact NH1-OD1 2.94Å; R178-D183 IonicContact NH1-OD2 3.74Å; R178-D183 PolarHBondContact NH1-OD2 3.26Å; E179-D183 VanDerWaalsContact O-CA 3.31Å; E179-D183 WeakPolarHBondContact O-CA 3.34Å; E179-D183 PolarHBondContact O-N 3.49Å
184	E	93.5	Very high	92.6	Very high	21 Å²	21	37 Å²	37	10%	0.098	18%	0.18	C	C	.	.			trans	-91.3	143.9	-172.4	-160.6	-174.1	171.3	0	0	112	R178 E179 T182 F186 K224 F491	R178-E184 CarbonylContact C-O 3.31Å; R178-E184 WeakPolarHBondContact CA-O 3.35Å; E179-E184 PolarHBondContact N-O 2.8Å; T182-E184 PolarHBondContact O-N 3.49Å; T182-E184 VanDerWaalsContact OG1-CB 3.29Å; T182-E184 WeakPolarHBondContact OG1-CB 3.29Å; T182-E184 PolarHBondContact OG1-N 3.49Å; E184-F186 HydrophobicContact CB-CE2 3.79Å; E184-F186 HydrophobicContact CB-CZ 4.07Å; E184-F186 HydrophobicContact CG-CE2 3.98Å; E184-F186 HydrophobicContact CG-CZ 3.78Å; E184-F186 WeakPolarHBondContact OE2-CZ 3.3Å; E184-K224 IonicContact OE2-NZ 3.64Å; E184-K224 PolarHBondContact OE2-NZ 3.42Å; E184-F491 WeakPolarHBondContact OE1-CB 3.48Å; E184-F491 WeakPolarHBondContact OE1-CD2 3.37Å; E184-F491 WeakPolarHBondContact OE1-CG 3.16Å; E184-F491 PolarHBondContact OE1-N 3.16Å
185	L	95	Very high	92	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.026	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	138.6	-177.9	-69.6	176.3	0	0	0	113	L163 L176 A177 R178 Y239 D441 T442	L163-L185 HydrophobicContact CD1-CD2 3.62Å; L176-L185 HydrophobicContact CD1-CB 4.25Å; L176-L185 HydrophobicContact CD1-CD2 4.1Å; L176-L185 HydrophobicContact CG-CD2 4.47Å; A177-L185 CarbonylContact O-C 3.56Å; A177-L185 WeakPolarHBondContact O-CA 3.36Å; R178-L185 HydrophobicContact CB-CD2 3.85Å; R178-L185 HydrophobicContact CG-CD2 4.31Å; L185-Y239 HydrophobicContact CB-CD1 4.26Å; L185-D441 HydrophobicContact CD1-CB 3.64Å; L185-D441 WeakPolarHBondContact CD1-O 3.4Å; L185-T442 HydrophobicContact CD1-CG2 3.94Å; L185-T442 HydrophobicContact CD2-CG2 4.19Å
186	F	95.3	Very high	91.3	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	156	179	-65.3	-71.4	0	0	0	112.2	F160 L176 A177 E179 E184 K224 V236 M237 F491	F160-F186 HydrophobicContact CE1-CD2 4.13Å; L176-F186 WeakPolarHBondContact CA-O 3.4Å; A177-F186 PolarHBondContact N-O 3.2Å; A177-F186 PolarHBondContact O-N 2.97Å; E179-F186 HydrophobicContact CB-CD2 4.19Å; E179-F186 HydrophobicContact CB-CE2 3.99Å; E184-F186 HydrophobicContact CB-CE2 3.79Å; E184-F186 HydrophobicContact CB-CZ 4.07Å; E184-F186 HydrophobicContact CG-CE2 3.98Å; E184-F186 HydrophobicContact CG-CZ 3.78Å; E184-F186 WeakPolarHBondContact OE2-CZ 3.3Å; F186-K224 HydrophobicContact CD1-CD 4.27Å; F186-K224 HydrophobicContact CE1-CB 4.17Å; F186-K224 HydrophobicContact CE1-CD 3.36Å; F186-K224 HydrophobicContact CE1-CG 4.38Å; F186-K224 HydrophobicContact CE2-CD 3.84Å; F186-K224 HydrophobicContact CZ-CD 3.11Å; F186-K224 HydrophobicContact CZ-CG 4.47Å; F186-V236 HydrophobicContact CB-CG1 3.55Å; F186-V236 HydrophobicContact CD1-CG1 3.96Å; F186-V236 HydrophobicContact CD2-CG1 4.06Å; F186-V236 HydrophobicContact CG-CG1 3.55Å; F186-M237 WeakPolarHBondContact CA-O 3.3Å; F186-M237 WeakPolarHBondContact CD1-O 3.12Å; F186-F491 HydrophobicContact CE1-CD2 4.32Å; F186-F491 AromaticContact CE1-CE2 3.99Å; F186-F491 HydrophobicContact CE1-CE2 3.99Å; F186-F491 HydrophobicContact CE1-CZ 4.48Å; F186-F491 HydrophobicContact CZ-CD2 4.48Å; F186-F491 HydrophobicContact CZ-CE2 4.4Å
187	A	95	Very high	90.5	Very high	9 Å²	9	39.2 Å²	39.2	7%	0.074	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	116.6	163.5	0	0	0	0	0	108.9	L166 V174 M237 Y239	L166-A187 HydrophobicContact CD1-CB 4.2Å; V174-A187 HydrophobicContact CG1-CB 3.95Å; A187-M237 PolarHBondContact N-O 3.29Å; A187-M237 PolarHBondContact O-N 3.24Å; A187-Y239 HydrophobicContact CB-CD2 4.48Å
188	I	95.1	Very high	89.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	109.1	176.9	-51	-173.8	0	0	0	109.6	L157 F160 L162 V174 I175 A177 I190 C234 F235 V236	L157-I188 HydrophobicContact CD1-CD1 4.38Å; L157-I188 HydrophobicContact CD1-CG2 4.42Å; F160-I188 HydrophobicContact CB-CD1 4Å; F160-I188 HydrophobicContact CD1-CD1 3.81Å; F160-I188 HydrophobicContact CD2-CD1 4.02Å; F160-I188 HydrophobicContact CE1-CD1 4.31Å; F160-I188 HydrophobicContact CE2-CD1 4.5Å; F160-I188 HydrophobicContact CG-CD1 3.66Å; L162-I188 HydrophobicContact CD2-CD1 4.33Å; V174-I188 CarbonylContact C-O 3.42Å; V174-I188 WeakPolarHBondContact CA-O 3.46Å; I175-I188 PolarHBondContact N-O 3.31Å; I175-I188 PolarHBondContact O-N 2.86Å; A177-I188 HydrophobicContact CB-CD1 3.43Å; A177-I188 VanDerWaalsContact CB-CD1 3.43Å; A177-I188 HydrophobicContact CB-CG1 3.8Å; I188-I190 HydrophobicContact CB-CG1 4.43Å; I188-I190 HydrophobicContact CG2-CD1 4.21Å; I188-I190 HydrophobicContact CG2-CG1 3.65Å; I188-I190 PolarHBondContact O-N 2.56Å; I188-C234 HydrophobicContact CG2-CB 4.34Å; I188-F235 CarbonylContact C-O 3.13Å; I188-F235 VanDerWaalsContact CA-O 3.24Å; I188-F235 WeakPolarHBondContact CA-O 3.49Å; I188-V236 HydrophobicContact CD1-CG2 4.25Å; I188-V236 HydrophobicContact CG1-CG1 4.31Å; I188-V236 HydrophobicContact CG1-CG2 4.18Å; I188-V236 HydrophobicContact CG2-CG2 4.38Å
189	K	93.1	Very high	88.5	Confident	30 Å²	30	46.4 Å²	46.4	13%	0.13	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	108.5	170.5	-171	-177.3	-163	-177.2	0	108.2	V174 L191 E208 C234 F235 M237 D301	V174-K189 HydrophobicContact CG2-CB 4.23Å; V174-K189 HydrophobicContact CG2-CG 4.14Å; K189-L191 HydrophobicContact CD-CD2 4.28Å; K189-L191 HydrophobicContact CG-CD2 3.77Å; K189-L191 HydrophobicContact CG-CG 4.26Å; K189-E208 IonicContact NZ-OE1 2.76Å; K189-E208 PolarHBondContact NZ-OE1 2.99Å; K189-E208 IonicContact NZ-OE2 3.22Å; K189-E208 PolarHBondContact NZ-OE2 2.91Å; K189-C234 WeakPolarHBondContact O-CA 3.41Å; K189-F235 HydrophobicContact CB-CB 4.2Å; K189-F235 HydrophobicContact CB-CD2 4.28Å; K189-F235 HydrophobicContact CD-CD2 4.27Å; K189-F235 HydrophobicContact CG-CD2 4.47Å; K189-F235 PolarHBondContact N-O 3.47Å; K189-F235 PolarHBondContact O-N 3.18Å; K189-M237 HydrophobicContact CB-CE 3.71Å; K189-M237 HydrophobicContact CD-CE 4.48Å; K189-D301 IonicContact NZ-OD1 3.33Å; K189-D301 PolarHBondContact NZ-OD1 2.85Å
190	I	92.8	Very high	87.7	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	110.7	-178.6	-53.7	177.9	0	0	0	108.8	L157 G172 R173 I175 I188 R232 L233 L458	L157-I190 HydrophobicContact CD1-CD1 4.02Å; L157-I190 HydrophobicContact CD2-CD1 4.49Å; G172-I190 WeakPolarHBondContact CA-O 3.29Å; R173-I190 PolarHBondContact N-O 2.88Å; R173-I190 PolarHBondContact O-N 2.88Å; I175-I190 HydrophobicContact CD1-CD1 3.7Å; I175-I190 HydrophobicContact CG1-CD1 4.38Å; I188-I190 HydrophobicContact CB-CG1 4.43Å; I188-I190 HydrophobicContact CG2-CD1 4.21Å; I188-I190 HydrophobicContact CG2-CG1 3.65Å; I188-I190 PolarHBondContact O-N 2.56Å; I190-R232 HydrophobicContact CG2-CB 4.13Å; I190-R232 HydrophobicContact CG2-CG 4.07Å; I190-L233 WeakPolarHBondContact CA-O 3.48Å; I190-L458 HydrophobicContact CD1-CD1 4.32Å; I190-L458 HydrophobicContact CD1-CD2 3.93Å; I190-L458 HydrophobicContact CG2-CD2 4.15Å
191	L	90.4	Very high	87	Confident	7 Å²	7	46.4 Å²	46.4	4%	0.037	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	142.6	-178.3	-49	-178.1	0	0	0	111	F171 K189 I196 T205 R232 L233 F235	F171-L191 HydrophobicContact CB-CD2 4.18Å; F171-L191 WeakPolarHBondContact O-CA 3.41Å; K189-L191 HydrophobicContact CD-CD2 4.28Å; K189-L191 HydrophobicContact CG-CD2 3.77Å; K189-L191 HydrophobicContact CG-CG 4.26Å; L191-I196 HydrophobicContact CB-CD1 3.66Å; L191-I196 HydrophobicContact CB-CG1 4.46Å; L191-I196 HydrophobicContact CD1-CD1 4.09Å; L191-T205 HydrophobicContact CD1-CG2 3.94Å; L191-R232 CarbonylContact O-C 3.48Å; L191-R232 WeakPolarHBondContact O-CA 3.39Å; L191-R232 WeakPolarHBondContact O-CB 3.3Å; L191-L233 HydrophobicContact CB-CB 4.42Å; L191-L233 PolarHBondContact N-O 2.7Å; L191-L233 PolarHBondContact O-N 2.78Å; L191-F235 HydrophobicContact CD1-CD2 4.43Å; L191-F235 HydrophobicContact CD1-CE2 3.76Å; L191-F235 HydrophobicContact CG-CE2 4.45Å
192	K	87.6	Confident	86.5	Confident	57 Å²	57	41.2 Å²	41.2	25%	0.248	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	122.6	176.2	-68	-175.3	174.2	-168	0	110.8	F171 E194 V195 I196	F171-K192 PolarHBondContact O-N 3.42Å; K192-E194 VanDerWaalsContact C-N 3.32Å; K192-E194 HydrophobicContact CB-CG 4.28Å; K192-E194 PolarHBondContact O-N 3.23Å; K192-V195 HydrophobicContact CB-CB 4.13Å; K192-V195 HydrophobicContact CB-CG2 3.71Å; K192-V195 HydrophobicContact CD-CG2 3.93Å; K192-V195 HydrophobicContact CG-CG2 4.46Å; K192-V195 PolarHBondContact O-N 3.41Å; K192-V195 VanDerWaalsContact O-N 3.13Å; K192-I196 WeakPolarHBondContact O-CG1 3.44Å; K192-I196 PolarHBondContact O-N 3.14Å; K192-I196 VanDerWaalsContact O-N 3.1Å
193	K	85.6	Confident	85.9	Confident	14 Å²	14	40.9 Å²	40.9	6%	0.061	23%	0.226	C	C	.	.	H	α-helix	trans	-57	-44.7	179.3	-73	178.1	171.7	178.5	0	112	V195 I196 I197 T229 D231 R232 L233 F479	K193-V195 VanDerWaalsContact C-N 3.26Å; K193-V195 PolarHBondContact O-N 2.78Å; K193-I196 PolarHBondContact O-N 2.98Å; K193-I197 WeakPolarHBondContact O-CG1 3.24Å; K193-I197 PolarHBondContact O-N 3.27Å; K193-T229 WeakPolarHBondContact CE-O 3.48Å; K193-T229 PolarHBondContact NZ-O 2.87Å; K193-D231 WeakPolarHBondContact CB-O 3.21Å; K193-D231 PolarHBondContact N-O 3.07Å; K193-R232 WeakPolarHBondContact CE-O 3.4Å; K193-L233 HydrophobicContact CD-CD2 4.46Å; K193-L233 VanDerWaalsContact CE-CD2 3.45Å; K193-L233 HydrophobicContact CG-CD2 4.21Å; K193-L233 HydrophobicContact CG-CG 3.97Å; K193-F479 HydrophobicContact CB-CE2 4.28Å; K193-F479 HydrophobicContact CD-CD2 4.31Å; K193-F479 HydrophobicContact CD-CE2 4.49Å; K193-F479 HydrophobicContact CG-CD2 4.27Å; K193-F479 HydrophobicContact CG-CE2 4.04Å
194	E	85.4	Confident	85.2	Confident	112 Å²	112	38 Å²	38	52%	0.523	21%	0.209	S	C	.	.	H	α-helix	trans	-56.7	-39.8	178.7	69.4	-176.3	173	0	0	112.2	K192 A198	K192-E194 VanDerWaalsContact C-N 3.32Å; K192-E194 HydrophobicContact CB-CG 4.28Å; K192-E194 PolarHBondContact O-N 3.23Å; E194-A198 WeakPolarHBondContact O-CB 3.5Å; E194-A198 PolarHBondContact O-N 3.27Å
195	V	81.3	Confident	84.6	Confident	35 Å²	35	37.3 Å²	37.3	21%	0.212	21%	0.206	C	C	.	.	H	α-helix	trans	-76.7	-38.1	-176.9	-174.2	0	0	0	0	110.5	F171 K192 K193 K199	F171-V195 HydrophobicContact CD1-CG1 4.16Å; K192-V195 HydrophobicContact CB-CB 4.13Å; K192-V195 HydrophobicContact CB-CG2 3.71Å; K192-V195 HydrophobicContact CD-CG2 3.93Å; K192-V195 HydrophobicContact CG-CG2 4.46Å; K192-V195 PolarHBondContact O-N 3.41Å; K192-V195 VanDerWaalsContact O-N 3.13Å; K193-V195 VanDerWaalsContact C-N 3.26Å; K193-V195 PolarHBondContact O-N 2.78Å; V195-K199 HydrophobicContact CG1-CD 4.29Å; V195-K199 WeakPolarHBondContact O-CB 3.31Å; V195-K199 WeakPolarHBondContact O-CG 3.23Å; V195-K199 PolarHBondContact O-N 3.15Å
196	I	78.7	Confident	84	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.5	-48.8	175.3	-66.1	163	0	0	0	110.3	F171 L191 K192 K193 K199 D200 E201 V202 T205 L233 F479	F171-I196 HydrophobicContact CB-CG1 4.31Å; L191-I196 HydrophobicContact CB-CD1 3.66Å; L191-I196 HydrophobicContact CB-CG1 4.46Å; L191-I196 HydrophobicContact CD1-CD1 4.09Å; K192-I196 WeakPolarHBondContact O-CG1 3.44Å; K192-I196 PolarHBondContact O-N 3.14Å; K192-I196 VanDerWaalsContact O-N 3.1Å; K193-I196 PolarHBondContact O-N 2.98Å; I196-K199 PolarHBondContact O-N 2.89Å; I196-D200 PolarHBondContact O-N 2.86Å; I196-D200 VanDerWaalsContact O-N 3.14Å; I196-E201 VanDerWaalsContact CG2-C 3.47Å; I196-E201 HydrophobicContact CG2-CB 4.16Å; I196-E201 PolarHBondContact O-N 2.91Å; I196-V202 HydrophobicContact CG2-CB 4.44Å; I196-V202 HydrophobicContact CG2-CG2 3.94Å; I196-T205 HydrophobicContact CD1-CG2 4.12Å; I196-L233 HydrophobicContact CD1-CD1 3.72Å; I196-L233 HydrophobicContact CD1-CG 4.44Å; I196-F479 HydrophobicContact CB-CZ 4.44Å; I196-F479 HydrophobicContact CG2-CE1 4.37Å; I196-F479 HydrophobicContact CG2-CZ 3.95Å
197	I	77.4	Confident	83.3	Confident	51 Å²	51	39.5 Å²	39.5	26%	0.262	22%	0.219	S	C	.	.	H	α-helix	trans	-64	-46.2	179.7	-65.7	166.2	0	0	0	110.2	K193 K199 D200 V202 Q476 Y478 F479	K193-I197 WeakPolarHBondContact O-CG1 3.24Å; K193-I197 PolarHBondContact O-N 3.27Å; I197-K199 PolarHBondContact O-N 3.21Å; I197-D200 PolarHBondContact O-N 2.9Å; I197-V202 HydrophobicContact CG1-CG2 4.11Å; I197-Q476 VanDerWaalsContact CD1-OE1 3.28Å; I197-Y478 HydrophobicContact CD1-CD2 4.17Å; I197-F479 HydrophobicContact CD1-CE2 4.18Å; I197-F479 HydrophobicContact CG1-CE2 4.21Å; I197-F479 HydrophobicContact CG1-CZ 4.4Å
198	A	75.1	Confident	83	Confident	86 Å²	86	39.3 Å²	39.3	71%	0.711	22%	0.216	S	C	*	.	H	α-helix	trans	-63.8	-23.5	-179.9	0	0	0	0	0	113.6	E194	E194-A198 WeakPolarHBondContact O-CB 3.5Å; E194-A198 PolarHBondContact O-N 3.27Å
199	K	75.6	Confident	82.5	Confident	110 Å²	110	39.4 Å²	39.4	48%	0.478	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	3	178.8	-69.7	-164.7	167.9	-155.7	0	114.5	T170 F171 V195 I196 I197 E201	T170-K199 HydrophobicContact CG2-CD 4.09Å; F171-K199 HydrophobicContact CD1-CD 4.06Å; F171-K199 HydrophobicContact CE1-CB 3.9Å; F171-K199 HydrophobicContact CE1-CD 3.53Å; F171-K199 HydrophobicContact CE1-CG 4.27Å; V195-K199 HydrophobicContact CG1-CD 4.29Å; V195-K199 WeakPolarHBondContact O-CB 3.31Å; V195-K199 WeakPolarHBondContact O-CG 3.23Å; V195-K199 PolarHBondContact O-N 3.15Å; I196-K199 PolarHBondContact O-N 2.89Å; I197-K199 PolarHBondContact O-N 3.21Å; K199-E201 VanDerWaalsContact C-N 3.31Å; K199-E201 HydrophobicContact CB-CG 4.02Å; K199-E201 PolarHBondContact O-N 3.11Å
200	D	77	Confident	82.2	Confident	79 Å²	79	41.6 Å²	41.6	42%	0.422	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.3	34.9	-178.4	-158	25.2	0	0	0	114	I196 I197	I196-D200 PolarHBondContact O-N 2.86Å; I196-D200 VanDerWaalsContact O-N 3.14Å; I197-D200 PolarHBondContact O-N 2.9Å
201	E	79.6	Confident	82	Confident	50 Å²	50	41.6 Å²	41.6	23%	0.234	22%	0.224	C	C	.	.			trans	-106.2	15.6	-172.1	-72.2	-77.4	157.7	0	0	112.7	F171 I196 K199 A203 H204 T205	F171-E201 HydrophobicContact CE1-CB 3.99Å; F171-E201 HydrophobicContact CE1-CG 3.63Å; F171-E201 HydrophobicContact CE2-CG 4.49Å; F171-E201 HydrophobicContact CZ-CB 4.06Å; F171-E201 HydrophobicContact CZ-CG 3.52Å; I196-E201 VanDerWaalsContact CG2-C 3.47Å; I196-E201 HydrophobicContact CG2-CB 4.16Å; I196-E201 PolarHBondContact O-N 2.91Å; K199-E201 VanDerWaalsContact C-N 3.31Å; K199-E201 HydrophobicContact CB-CG 4.02Å; K199-E201 PolarHBondContact O-N 3.11Å; E201-A203 PolarHBondContact O-N 3.47Å; E201-H204 VanDerWaalsContact CD-ND1 3.31Å; E201-H204 PolarHBondContact O-N 2.9Å; E201-H204 IonicContact OE1-CE1 2.7Å; E201-H204 IonicContact OE1-ND1 2.88Å; E201-H204 PolarHBondContact OE1-ND1 3.43Å; E201-H204 WeakPolarHBondContact OE2-CB 3.35Å; E201-H204 IonicContact OE2-CE1 3.68Å; E201-H204 IonicContact OE2-CG 3.18Å; E201-H204 IonicContact OE2-ND1 3.96Å; E201-H204 PolarHBondContact OE2-ND1 2.84Å; E201-T205 PolarHBondContact O-N 3.31Å; E201-T205 PolarHBondContact O-OG1 3.41Å
202	V	80.2	Confident	82	Confident	21 Å²	21	41.5 Å²	41.5	13%	0.127	22%	0.224	C	C	.	.	H	α-helix	trans	-61	-46.7	-179.2	176.8	0	0	0	0	110.4	I196 I197 H204 T205 L206 Y478 F479	I196-V202 HydrophobicContact CG2-CB 4.44Å; I196-V202 HydrophobicContact CG2-CG2 3.94Å; I197-V202 HydrophobicContact CG1-CG2 4.11Å; V202-H204 PolarHBondContact O-N 3.11Å; V202-T205 PolarHBondContact O-N 3.46Å; V202-L206 HydrophobicContact CG1-CD1 4.03Å; V202-L206 HydrophobicContact CG1-CG 4.41Å; V202-L206 WeakPolarHBondContact O-CG 3.2Å; V202-L206 PolarHBondContact O-N 2.79Å; V202-Y478 HydrophobicContact CG1-CD1 4.46Å; V202-F479 HydrophobicContact CB-CE1 4.4Å; V202-F479 HydrophobicContact CB-CZ 4.5Å; V202-F479 HydrophobicContact CG1-CD1 4.44Å; V202-F479 HydrophobicContact CG1-CE1 3.8Å; V202-F479 HydrophobicContact CG1-CZ 4.16Å; V202-F479 HydrophobicContact CG2-CE1 4.37Å; V202-F479 HydrophobicContact CG2-CZ 3.98Å
203	A	78.1	Confident	82	Confident	65 Å²	65	41.9 Å²	41.9	54%	0.537	23%	0.227	S	C	.	.	H	α-helix	trans	-63.5	-42.5	-177.9	0	0	0	0	0	112.4	E201 L206 T207	E201-A203 PolarHBondContact O-N 3.47Å; A203-L206 PolarHBondContact O-N 2.94Å; A203-T207 WeakPolarHBondContact O-CB 3.4Å; A203-T207 PolarHBondContact O-N 3.12Å; A203-T207 PolarHBondContact O-OG1 2.86Å
204	H	77.5	Confident	82.1	Confident	43 Å²	43	47.4 Å²	47.4	20%	0.199	25%	0.25	C	S	.	.	H	α-helix	trans	-63.5	-45.2	176	-65.7	146	0	0	0	111.3	E201 V202 L206 T207 E208 G303	E201-H204 VanDerWaalsContact CD-ND1 3.31Å; E201-H204 PolarHBondContact O-N 2.9Å; E201-H204 IonicContact OE1-CE1 2.7Å; E201-H204 IonicContact OE1-ND1 2.88Å; E201-H204 PolarHBondContact OE1-ND1 3.43Å; E201-H204 WeakPolarHBondContact OE2-CB 3.35Å; E201-H204 IonicContact OE2-CE1 3.68Å; E201-H204 IonicContact OE2-CG 3.18Å; E201-H204 IonicContact OE2-ND1 3.96Å; E201-H204 PolarHBondContact OE2-ND1 2.84Å; V202-H204 PolarHBondContact O-N 3.11Å; H204-L206 PolarHBondContact O-N 3.39Å; H204-T207 PolarHBondContact O-N 3.2Å; H204-T207 VanDerWaalsContact O-N 3.14Å; H204-E208 PolarHBondContact O-N 3.24Å; H204-G303 WeakPolarHBondContact CB-O 3.47Å
205	T	82.1	Confident	82.3	Confident	7 Å²	7	42.5 Å²	42.5	4%	0.043	23%	0.228	C	C	.	.	H	α-helix	trans	-62.5	-41.3	178.3	-54.2	0	0	0	0	112.6	L191 I196 E201 V202 T207 N209 L233 F235 F482	L191-T205 HydrophobicContact CD1-CG2 3.94Å; I196-T205 HydrophobicContact CD1-CG2 4.12Å; E201-T205 PolarHBondContact O-N 3.31Å; E201-T205 PolarHBondContact O-OG1 3.41Å; V202-T205 PolarHBondContact O-N 3.46Å; T205-T207 VanDerWaalsContact C-N 3.34Å; T205-N209 PolarHBondContact O-N 3.05Å; T205-L233 HydrophobicContact CG2-CD1 3.63Å; T205-F235 HydrophobicContact CG2-CE2 4.23Å; T205-F235 HydrophobicContact CG2-CZ 4.07Å; T205-F482 HydrophobicContact CG2-CE2 4.17Å
206	L	80.7	Confident	82.9	Confident	34 Å²	34	46.9 Å²	46.9	18%	0.178	25%	0.245	C	C	.	.	H	α-helix	trans	-69	-34.1	175.6	-69.6	176.5	0	0	0	112.2	V202 A203 H204 N209 R210 Y478 F479	V202-L206 HydrophobicContact CG1-CD1 4.03Å; V202-L206 HydrophobicContact CG1-CG 4.41Å; V202-L206 WeakPolarHBondContact O-CG 3.2Å; V202-L206 PolarHBondContact O-N 2.79Å; A203-L206 PolarHBondContact O-N 2.94Å; H204-L206 PolarHBondContact O-N 3.39Å; L206-N209 PolarHBondContact O-N 3.48Å; L206-R210 WeakPolarHBondContact O-CG 3.49Å; L206-R210 PolarHBondContact O-N 3.05Å; L206-Y478 WeakPolarHBondContact CD1-O 3.26Å; L206-F479 HydrophobicContact CD2-CD1 4Å; L206-F479 HydrophobicContact CG-CD1 4.43Å
207	T	81	Confident	83.8	Confident	19 Å²	19	47.6 Å²	47.6	12%	0.117	25%	0.248	C	C	.	.	H	α-helix	trans	-67.8	-45.1	176.9	-57.2	0	0	0	0	111	A203 H204 T205 N209 R210 V211 C305 E307	A203-T207 WeakPolarHBondContact O-CB 3.4Å; A203-T207 PolarHBondContact O-N 3.12Å; A203-T207 PolarHBondContact O-OG1 2.86Å; H204-T207 PolarHBondContact O-N 3.2Å; H204-T207 VanDerWaalsContact O-N 3.14Å; T205-T207 VanDerWaalsContact C-N 3.34Å; T207-N209 VanDerWaalsContact C-N 3.26Å; T207-N209 PolarHBondContact O-N 3.23Å; T207-R210 PolarHBondContact O-N 3.21Å; T207-R210 PolarHBondContact OG1-NH2 3.18Å; T207-V211 HydrophobicContact CG2-CG2 4.14Å; T207-V211 WeakPolarHBondContact O-CB 3.44Å; T207-V211 VanDerWaalsContact O-CG2 3.32Å; T207-V211 WeakPolarHBondContact O-CG2 3.41Å; T207-V211 PolarHBondContact O-N 3.44Å; T207-C305 HydrophobicContact CG2-CB 4.48Å; T207-E307 HydrophobicContact CG2-CG 4.42Å
208	E	88.1	Confident	84.7	Confident	4 Å²	4	46.4 Å²	46.4	2%	0.019	24%	0.243	C	C	.	.	H	α-helix	trans	-52.1	-47.9	172.4	-179.2	166.3	-154.7	0	0	110.8	K189 H204 V211 L212 F235 F302	K189-E208 IonicContact NZ-OE1 2.76Å; K189-E208 PolarHBondContact NZ-OE1 2.99Å; K189-E208 IonicContact NZ-OE2 3.22Å; K189-E208 PolarHBondContact NZ-OE2 2.91Å; H204-E208 PolarHBondContact O-N 3.24Å; E208-V211 PolarHBondContact O-N 3.33Å; E208-L212 HydrophobicContact CG-CD1 3.75Å; E208-L212 HydrophobicContact CG-CG 4.42Å; E208-L212 VanDerWaalsContact O-CB 3.23Å; E208-L212 WeakPolarHBondContact O-CB 3.47Å; E208-L212 VanDerWaalsContact O-CG 3.31Å; E208-L212 WeakPolarHBondContact O-CG 3.45Å; E208-L212 PolarHBondContact O-N 2.92Å; E208-F235 HydrophobicContact CG-CE1 4.34Å; E208-F235 HydrophobicContact CG-CZ 4.33Å; E208-F302 HydrophobicContact CG-CB 4.18Å
209	N	85.3	Confident	85.8	Confident	2 Å²	2	42.3 Å²	42.3	1%	0.011	21%	0.209	C	C	.	.	H	α-helix	trans	-60.4	-48.7	178.1	-166.8	29.2	0	0	0	113.2	T205 L206 T207 Q213 S226 F235 Q481 F482	T205-N209 PolarHBondContact O-N 3.05Å; L206-N209 PolarHBondContact O-N 3.48Å; T207-N209 VanDerWaalsContact C-N 3.26Å; T207-N209 PolarHBondContact O-N 3.23Å; N209-Q213 PolarHBondContact ND2-NE2 3.38Å; N209-Q213 VanDerWaalsContact ND2-NE2 3.11Å; N209-Q213 WeakPolarHBondContact O-CB 3.45Å; N209-Q213 WeakPolarHBondContact O-CG 3.21Å; N209-Q213 PolarHBondContact O-N 3.45Å; N209-Q213 PolarHBondContact OD1-NE2 2.98Å; N209-S226 WeakPolarHBondContact OD1-CB 3.26Å; N209-S226 PolarHBondContact OD1-OG 3.1Å; N209-S226 VanDerWaalsContact OD1-OG 3.08Å; N209-F235 HydrophobicContact CB-CE1 3.65Å; N209-F235 HydrophobicContact CB-CZ 4.23Å; N209-Q481 PolarHBondContact ND2-O 3.11Å; N209-F482 HydrophobicContact CB-CD2 4.39Å; N209-F482 HydrophobicContact CB-CE2 4.23Å; N209-F482 VanDerWaalsContact ND2-CA 3.35Å; N209-F482 WeakPolarHBondContact ND2-CA 3.29Å; N209-F482 PolarHBondContact ND2-O 2.79Å
210	R	87.4	Confident	86.9	Confident	77 Å²	77	37.2 Å²	37.2	29%	0.291	19%	0.187	S	C	.	.	H	α-helix	trans	-64.8	-42.2	-179.7	-72.4	-169.3	-51.7	-85.3	-7.5	112.3	L206 T207 Q213 K214 E307	L206-R210 WeakPolarHBondContact O-CG 3.49Å; L206-R210 PolarHBondContact O-N 3.05Å; T207-R210 PolarHBondContact O-N 3.21Å; T207-R210 PolarHBondContact OG1-NH2 3.18Å; R210-Q213 PolarHBondContact O-N 3.25Å; R210-K214 VanDerWaalsContact O-CG 3.3Å; R210-K214 WeakPolarHBondContact O-CG 3.46Å; R210-K214 PolarHBondContact O-N 3.43Å; R210-E307 IonicContact CZ-OE2 2.92Å; R210-E307 VanDerWaalsContact CZ-OE2 3.3Å; R210-E307 IonicContact NE-OE2 3.42Å; R210-E307 PolarHBondContact NE-OE2 2.85Å; R210-E307 IonicContact NH2-OE2 3.27Å; R210-E307 PolarHBondContact NH2-OE2 3.12Å
211	V	88	Confident	87.7	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-62.4	-53.1	178.4	168.8	0	0	0	0	109.4	T207 E208 Q213 K214 T215 I279 F302 C305 E307	T207-V211 HydrophobicContact CG2-CG2 4.14Å; T207-V211 WeakPolarHBondContact O-CB 3.44Å; T207-V211 VanDerWaalsContact O-CG2 3.32Å; T207-V211 WeakPolarHBondContact O-CG2 3.41Å; T207-V211 PolarHBondContact O-N 3.44Å; E208-V211 PolarHBondContact O-N 3.33Å; V211-Q213 VanDerWaalsContact C-N 3.25Å; V211-Q213 PolarHBondContact O-N 3.12Å; V211-K214 PolarHBondContact O-N 2.93Å; V211-T215 HydrophobicContact CG1-CG2 3.91Å; V211-T215 WeakPolarHBondContact O-CG2 3.17Å; V211-T215 PolarHBondContact O-N 3.39Å; V211-T215 PolarHBondContact O-OG1 3.31Å; V211-I279 HydrophobicContact CG1-CD1 4.27Å; V211-I279 HydrophobicContact CG1-CG2 4.44Å; V211-I279 HydrophobicContact CG2-CD1 4.3Å; V211-I279 HydrophobicContact CG2-CG2 4.38Å; V211-F302 HydrophobicContact CB-CB 4.47Å; V211-F302 HydrophobicContact CG1-CB 4.07Å; V211-F302 HydrophobicContact CG1-CD1 3.68Å; V211-F302 HydrophobicContact CG1-CE1 4.46Å; V211-F302 HydrophobicContact CG1-CG 4.08Å; V211-C305 HydrophobicContact CG2-CB 3.96Å; V211-E307 HydrophobicContact CG2-CG 3.79Å
212	L	89.8	Confident	88.3	Confident	5 Å²	5	32.9 Å²	32.9	3%	0.026	17%	0.169	C	C	.	.	H	α-helix	trans	-57.6	-34.6	179.3	-81.6	174.2	0	0	0	113.7	E208 T221 L223 F235 M237 F302	E208-L212 HydrophobicContact CG-CD1 3.75Å; E208-L212 HydrophobicContact CG-CG 4.42Å; E208-L212 VanDerWaalsContact O-CB 3.23Å; E208-L212 WeakPolarHBondContact O-CB 3.47Å; E208-L212 VanDerWaalsContact O-CG 3.31Å; E208-L212 WeakPolarHBondContact O-CG 3.45Å; E208-L212 PolarHBondContact O-N 2.92Å; L212-T221 WeakPolarHBondContact CD2-O 3.35Å; L212-L223 HydrophobicContact CB-CB 3.82Å; L212-L223 HydrophobicContact CB-CD2 3.88Å; L212-L223 HydrophobicContact CB-CG 4.35Å; L212-L223 HydrophobicContact CD1-CD1 4.33Å; L212-L223 HydrophobicContact CD2-CB 4.41Å; L212-L223 HydrophobicContact CG-CB 4.5Å; L212-F235 HydrophobicContact CD1-CD1 4.15Å; L212-F235 HydrophobicContact CD1-CE1 4.5Å; L212-M237 HydrophobicContact CD1-SD 4.18Å; L212-F302 HydrophobicContact CD2-CD2 3.43Å; L212-F302 VanDerWaalsContact CD2-CD2 3.43Å; L212-F302 HydrophobicContact CD2-CE2 3.57Å; L212-F302 HydrophobicContact CD2-CG 4.3Å; L212-F302 HydrophobicContact CG-CD2 3.9Å; L212-F302 HydrophobicContact CG-CG 4.42Å
213	Q	88.5	Confident	88.9	Confident	66 Å²	66	32.8 Å²	32.8	31%	0.308	17%	0.167	S	C	.	.	H	α-helix	trans	-71.2	-31.4	176.2	-74.2	175.7	28.6	0	0	113.4	N209 R210 V211 L223 F484	N209-Q213 PolarHBondContact ND2-NE2 3.38Å; N209-Q213 VanDerWaalsContact ND2-NE2 3.11Å; N209-Q213 WeakPolarHBondContact O-CB 3.45Å; N209-Q213 WeakPolarHBondContact O-CG 3.21Å; N209-Q213 PolarHBondContact O-N 3.45Å; N209-Q213 PolarHBondContact OD1-NE2 2.98Å; R210-Q213 PolarHBondContact O-N 3.25Å; V211-Q213 VanDerWaalsContact C-N 3.25Å; V211-Q213 PolarHBondContact O-N 3.12Å; Q213-L223 HydrophobicContact CG-CD2 3.78Å; Q213-F484 HydrophobicContact CG-CB 4.05Å; Q213-F484 HydrophobicContact CG-CD1 3.94Å; Q213-F484 HydrophobicContact CG-CD2 3.87Å; Q213-F484 HydrophobicContact CG-CE1 4.33Å; Q213-F484 HydrophobicContact CG-CE2 4.27Å; Q213-F484 HydrophobicContact CG-CG 3.69Å; Q213-F484 HydrophobicContact CG-CZ 4.48Å
214	K	87.9	Confident	89.5	Confident	129 Å²	129	30.4 Å²	30.4	56%	0.561	15%	0.145	S	C	*	.	H	α-helix	trans	-91.1	-30.2	-175.5	-68.8	172.7	-175.6	175	0	112.8	R210 V211 E307	R210-K214 VanDerWaalsContact O-CG 3.3Å; R210-K214 WeakPolarHBondContact O-CG 3.46Å; R210-K214 PolarHBondContact O-N 3.43Å; V211-K214 PolarHBondContact O-N 2.93Å; K214-E307 IonicContact NZ-OE1 3.88Å; K214-E307 PolarHBondContact NZ-OE1 3.37Å
215	T	90.1	Very high	90.1	Very high	10 Å²	10	29.6 Å²	29.6	6%	0.061	14%	0.14	C	C	.	.			trans	-87.3	131.1	-171.7	56.2	0	0	0	0	112.3	V211 L220 Y273 L274 I279	V211-T215 HydrophobicContact CG1-CG2 3.91Å; V211-T215 WeakPolarHBondContact O-CG2 3.17Å; V211-T215 PolarHBondContact O-N 3.39Å; V211-T215 PolarHBondContact O-OG1 3.31Å; T215-L220 HydrophobicContact CG2-CD1 4.5Å; T215-Y273 HydrophobicContact CG2-CE1 4.09Å; T215-L274 HydrophobicContact CG2-CD2 3.61Å; T215-I279 HydrophobicContact CG2-CD1 3.91Å
216	K	92.4	Very high	90.4	Very high	127 Å²	127	29.2 Å²	29.2	55%	0.552	14%	0.138	S	C	*	.			trans	-138	105.6	172.1	-167.6	-177.9	-172.1	-172.4	0	110.3	Y273	K216-Y273 PolarHBondContact N-OH 3.27Å
217	H	97.3	Very high	90.7	Very high	14 Å²	14	28 Å²	28	7%	0.065	13%	0.131	C	C	.	.			trans	-147.5	142.7	-179	-172.6	-87.2	0	0	0	109.7	F219 L220 S269 Y273 Y426	H217-F219 AromaticContact CE1-CD2 3.49Å; H217-F219 VanDerWaalsContact CE1-CD2 3.49Å; H217-F219 WeakPolarHBondContact CE1-CD2 3.13Å; H217-F219 PolarHBondContact ND1-N 3.34Å; H217-F219 PolarHBondContact O-N 3Å; H217-F219 VanDerWaalsContact O-N 3.12Å; H217-L220 HydrophobicContact CB-CB 4.12Å; H217-L220 HydrophobicContact CB-CD1 3.75Å; H217-L220 HydrophobicContact CB-CG 3.76Å; H217-L220 PolarHBondContact O-N 3.04Å; H217-L220 VanDerWaalsContact O-N 3.11Å; H217-S269 PolarHBondContact CE1-OG 2.85Å; H217-S269 PolarHBondContact NE2-O 3.25Å; H217-S269 PolarHBondContact NE2-OG 3.03Å; H217-Y273 HydrophobicContact CB-CD1 3.8Å; H217-Y273 HydrophobicContact CB-CE1 4.09Å; H217-Y273 HydrophobicContact CB-CG 4.11Å; H217-Y273 VanDerWaalsContact CD2-CB 3.46Å; H217-Y273 WeakPolarHBondContact CD2-CB 3.44Å; H217-Y273 AromaticContact CD2-CG 3.63Å; H217-Y426 AromaticContact CD2-CE2 3.58Å; H217-Y426 AromaticContact NE2-CD2 3.57Å; H217-Y426 AromaticContact NE2-CE2 3.51Å
218	P	97.5	Very high	91	Very high	26 Å²	26	29.7 Å²	29.7	17%	0.169	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-35.3	-176.3	20.1	-35	0	0	0	113.8	K298 Y426 R428	P218-K298 WeakPolarHBondContact O-CE 3.43Å; P218-K298 PolarHBondContact O-NZ 3.26Å; P218-Y426 HydrophobicContact CG-CD2 3.98Å; P218-Y426 HydrophobicContact CG-CE2 4.04Å; P218-Y426 HydrophobicContact CG-CG 4.47Å; P218-Y426 WeakPolarHBondContact CG-O 3.16Å; P218-R428 HydrophobicContact CB-CG 4.17Å
219	F	98.4	Very high	90.8	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	8.2	-176.5	-46.4	-47.5	0	0	0	114.8	H217 E266 A270 H296 I297 K298 I299 L425 R428	H217-F219 AromaticContact CE1-CD2 3.49Å; H217-F219 VanDerWaalsContact CE1-CD2 3.49Å; H217-F219 WeakPolarHBondContact CE1-CD2 3.13Å; H217-F219 PolarHBondContact ND1-N 3.34Å; H217-F219 PolarHBondContact O-N 3Å; H217-F219 VanDerWaalsContact O-N 3.12Å; F219-E266 HydrophobicContact CD1-CB 4.22Å; F219-E266 HydrophobicContact CD1-CG 4.21Å; F219-E266 HydrophobicContact CD2-CB 3.66Å; F219-E266 HydrophobicContact CD2-CG 4.04Å; F219-E266 WeakPolarHBondContact CD2-O 3.3Å; F219-E266 HydrophobicContact CE1-CB 4.37Å; F219-E266 HydrophobicContact CE1-CG 3.89Å; F219-E266 WeakPolarHBondContact CE1-OE1 3.38Å; F219-E266 HydrophobicContact CE2-CB 3.88Å; F219-E266 HydrophobicContact CE2-CG 3.75Å; F219-E266 HydrophobicContact CG-CB 3.88Å; F219-E266 HydrophobicContact CG-CG 4.3Å; F219-E266 HydrophobicContact CZ-CB 4.22Å; F219-E266 HydrophobicContact CZ-CG 3.65Å; F219-E266 WeakPolarHBondContact CZ-OE1 3.46Å; F219-A270 HydrophobicContact CB-CB 4.15Å; F219-H296 HydrophobicContact CD1-CB 4.38Å; F219-H296 HydrophobicContact CE1-CB 4.25Å; F219-H296 AromaticContact CE1-ND1 3.91Å; F219-I297 VanDerWaalsContact CA-O 3.23Å; F219-I297 WeakPolarHBondContact CA-O 3.4Å; F219-I297 WeakPolarHBondContact CB-O 3.3Å; F219-K298 WeakPolarHBondContact O-CA 3.33Å; F219-I299 PolarHBondContact O-N 2.76Å; F219-L425 HydrophobicContact CE2-CD2 4.39Å; F219-L425 HydrophobicContact CE2-CG 4.13Å; F219-L425 HydrophobicContact CZ-CG 4.16Å; F219-L425 VanDerWaalsContact CZ-O 3.29Å; F219-L425 WeakPolarHBondContact CZ-O 3.45Å; F219-R428 HydrophobicContact CE1-CG 3.99Å; F219-R428 HydrophobicContact CZ-CG 4.37Å
220	L	97.2	Very high	90.8	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.016	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-102.5	142.4	169.5	-63.6	-178.5	0	0	0	108.9	T215 H217 S222 A270 Y273 L274 I299 F302	T215-L220 HydrophobicContact CG2-CD1 4.5Å; H217-L220 HydrophobicContact CB-CB 4.12Å; H217-L220 HydrophobicContact CB-CD1 3.75Å; H217-L220 HydrophobicContact CB-CG 3.76Å; H217-L220 PolarHBondContact O-N 3.04Å; H217-L220 VanDerWaalsContact O-N 3.11Å; L220-S222 PolarHBondContact O-N 3.4Å; L220-A270 HydrophobicContact CD2-CB 3.82Å; L220-A270 HydrophobicContact CG-CB 4.3Å; L220-Y273 HydrophobicContact CD1-CD1 3.82Å; L220-Y273 HydrophobicContact CD1-CE1 4.05Å; L220-L274 HydrophobicContact CD1-CD1 4.48Å; L220-L274 HydrophobicContact CD1-CD2 3.71Å; L220-L274 HydrophobicContact CD1-CG 4.02Å; L220-L274 HydrophobicContact CD2-CD1 4.25Å; L220-I299 HydrophobicContact CD2-CB 3.83Å; L220-I299 HydrophobicContact CD2-CD1 4.06Å; L220-I299 HydrophobicContact CD2-CG1 4.2Å; L220-I299 HydrophobicContact CD2-CG2 4.48Å; L220-F302 HydrophobicContact CB-CZ 4.08Å; L220-F302 HydrophobicContact CD1-CE1 4.42Å; L220-F302 HydrophobicContact CD2-CE1 3.98Å; L220-F302 HydrophobicContact CD2-CZ 3.91Å; L220-F302 HydrophobicContact CG-CZ 4.39Å
221	T	95	Very high	90.7	Very high	7 Å²	7	34.9 Å²	34.9	4%	0.043	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-65.7	128.5	172.9	-51.7	0	0	0	0	109.1	L212 M237 E238 I299	L212-T221 WeakPolarHBondContact CD2-O 3.35Å; T221-M237 HydrophobicContact CG2-CB 4.05Å; T221-E238 HydrophobicContact CG2-CB 4.2Å; T221-I299 WeakPolarHBondContact CB-O 3.41Å; T221-I299 PolarHBondContact N-O 2.86Å; T221-I299 PolarHBondContact OG1-O 2.76Å
222	S	92.2	Very high	90.8	Very high	32 Å²	32	35.7 Å²	35.7	22%	0.224	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-93.3	145.4	-178.2	57.8	0	0	0	0	112.6	L220 M237 E238 F491	L220-S222 PolarHBondContact O-N 3.4Å; S222-M237 CarbonylContact O-C 3.6Å; S222-M237 VanDerWaalsContact O-CA 3.31Å; S222-M237 WeakPolarHBondContact O-CA 3.36Å; S222-E238 PolarHBondContact N-OE2 2.92Å; S222-E238 PolarHBondContact O-N 3.15Å; S222-E238 WeakPolarHBondContact OG-CB 3.48Å; S222-E238 PolarHBondContact OG-OE2 2.67Å; S222-F491 VanDerWaalsContact OG-CE1 3.28Å; S222-F491 WeakPolarHBondContact OG-CE1 3.47Å
223	L	92.4	Very high	90.8	Very high	18 Å²	18	35.4 Å²	35.4	9%	0.094	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	125	174.5	180	76	0	0	0	110.1	L212 Q213 Y225 F235 M237 F484	L212-L223 HydrophobicContact CB-CB 3.82Å; L212-L223 HydrophobicContact CB-CD2 3.88Å; L212-L223 HydrophobicContact CB-CG 4.35Å; L212-L223 HydrophobicContact CD1-CD1 4.33Å; L212-L223 HydrophobicContact CD2-CB 4.41Å; L212-L223 HydrophobicContact CG-CB 4.5Å; Q213-L223 HydrophobicContact CG-CD2 3.78Å; L223-Y225 WeakPolarHBondContact CD1-O 3.47Å; L223-F235 HydrophobicContact CD1-CB 3.95Å; L223-F235 HydrophobicContact CD1-CD1 4.02Å; L223-M237 HydrophobicContact CD1-CG 4.02Å; L223-F484 HydrophobicContact CD2-CD1 4.1Å
224	K	90.5	Very high	90.9	Very high	16 Å²	16	32.3 Å²	32.3	7%	0.07	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-47.7	173.4	-164.7	174.9	-174.3	-174	0	111.1	E179 E184 F186 V236 G486 F491	E179-K224 IonicContact OE2-NZ 2.78Å; E179-K224 PolarHBondContact OE2-NZ 2.79Å; E184-K224 IonicContact OE2-NZ 3.64Å; E184-K224 PolarHBondContact OE2-NZ 3.42Å; F186-K224 HydrophobicContact CD1-CD 4.27Å; F186-K224 HydrophobicContact CE1-CB 4.17Å; F186-K224 HydrophobicContact CE1-CD 3.36Å; F186-K224 HydrophobicContact CE1-CG 4.38Å; F186-K224 HydrophobicContact CE2-CD 3.84Å; F186-K224 HydrophobicContact CZ-CD 3.11Å; F186-K224 HydrophobicContact CZ-CG 4.47Å; K224-V236 PolarHBondContact N-O 3.33Å; K224-G486 VanDerWaalsContact O-CA 3.27Å; K224-G486 WeakPolarHBondContact O-CA 3.33Å; K224-G486 PolarHBondContact O-N 2.98Å; K224-F491 HydrophobicContact CD-CE2 4.07Å; K224-F491 HydrophobicContact CG-CE2 4.45Å
225	Y	89.5	Confident	91.2	Very high	25 Å²	25	26.2 Å²	26.2	10%	0.098	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	147.6	179.9	-47.4	-67.9	0	0	0	110.6	I155 F160 E179 L223 V236 F484	I155-Y225 HydrophobicContact CG1-CD1 4.12Å; I155-Y225 HydrophobicContact CG1-CE1 4.05Å; I155-Y225 HydrophobicContact CG1-CG 4.47Å; I155-Y225 HydrophobicContact CG2-CD2 4.24Å; I155-Y225 HydrophobicContact CG2-CG 4.23Å; F160-Y225 AromaticContact CZ-CD2 3.91Å; F160-Y225 HydrophobicContact CZ-CD2 3.91Å; F160-Y225 HydrophobicContact CZ-CE2 4.13Å; E179-Y225 PolarHBondContact OE1-OH 2.97Å; L223-Y225 WeakPolarHBondContact CD1-O 3.47Å; Y225-V236 HydrophobicContact CD2-CB 3.92Å; Y225-V236 HydrophobicContact CD2-CG1 3.92Å; Y225-V236 HydrophobicContact CD2-CG2 4.17Å; Y225-V236 HydrophobicContact CG-CB 4.42Å; Y225-V236 PolarHBondContact N-O 2.63Å; Y225-V236 PolarHBondContact O-N 3.3Å; Y225-F484 WeakPolarHBondContact CA-O 3.41Å
226	S	89.4	Confident	91.3	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.4	157.8	62	0	0	0	0	108.8	N209 C234 F482 S483 F484	N209-S226 WeakPolarHBondContact OD1-CB 3.26Å; N209-S226 PolarHBondContact OD1-OG 3.1Å; N209-S226 VanDerWaalsContact OD1-OG 3.08Å; S226-C234 CarbonylContact C-O 3.59Å; S226-C234 VanDerWaalsContact CA-O 3.26Å; S226-C234 WeakPolarHBondContact CA-O 3.36Å; S226-F482 WeakPolarHBondContact CB-O 3.33Å; S226-F482 PolarHBondContact OG-O 3.47Å; S226-S483 CarbonylContact O-C 3.51Å; S226-S483 VanDerWaalsContact O-CA 3.27Å; S226-S483 WeakPolarHBondContact O-CA 3.43Å; S226-F484 PolarHBondContact N-O 2.99Å; S226-F484 PolarHBondContact O-N 3.42Å; S226-F484 VanDerWaalsContact OG-CB 3.31Å; S226-F484 WeakPolarHBondContact OG-CB 3.24Å; S226-F484 PolarHBondContact OG-N 3.05Å
227	F	87.7	Confident	91.4	Very high	8 Å²	8	20.6 Å²	20.6	4%	0.035	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	165.8	179.1	63.3	-92.8	0	0	0	110.2	I155 L157 F160 C234 V236 F482	I155-F227 HydrophobicContact CG2-CD1 4.07Å; I155-F227 HydrophobicContact CG2-CE1 4.06Å; L157-F227 HydrophobicContact CB-CE2 4.12Å; L157-F227 HydrophobicContact CB-CZ 4.2Å; L157-F227 HydrophobicContact CD1-CE2 4.49Å; L157-F227 HydrophobicContact CD1-CZ 4.03Å; F160-F227 HydrophobicContact CE2-CE1 4.16Å; F227-C234 HydrophobicContact CD1-CB 4.15Å; F227-C234 HydrophobicContact CD2-CB 3.89Å; F227-C234 HydrophobicContact CE1-CB 3.85Å; F227-C234 HydrophobicContact CE2-CB 3.55Å; F227-C234 HydrophobicContact CG-CB 4.17Å; F227-C234 HydrophobicContact CZ-CB 3.54Å; F227-C234 PolarHBondContact N-O 3.21Å; F227-C234 PolarHBondContact O-N 3.14Å; F227-V236 HydrophobicContact CD1-CG2 4.3Å; F227-V236 HydrophobicContact CE1-CG2 3.62Å; F227-F482 VanDerWaalsContact O-CE1 3.23Å; F227-F482 WeakPolarHBondContact O-CE1 3.37Å
228	Q	86.9	Confident	91.2	Very high	55 Å²	55	21.6 Å²	21.6	26%	0.257	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	148.5	-179.1	59.2	179.7	-31.5	0	0	110.9	R232 L233 F479 F482	Q228-R232 CarbonylContact C-O 3.55Å; Q228-R232 VanDerWaalsContact CA-O 3.31Å; Q228-R232 WeakPolarHBondContact CA-O 3.31Å; Q228-R232 WeakPolarHBondContact CB-O 3.4Å; Q228-L233 HydrophobicContact CB-CD2 3.68Å; Q228-F479 PolarHBondContact NE2-O 2.95Å; Q228-F482 HydrophobicContact CB-CD1 4.31Å
229	T	84.6	Confident	91.1	Very high	46 Å²	46	21 Å²	21	28%	0.282	12%	0.117	S	C	.	.			trans	-104.4	-173.8	165.3	68	0	0	0	0	108.9	K193 D231 R232	K193-T229 WeakPolarHBondContact CE-O 3.48Å; K193-T229 PolarHBondContact NZ-O 2.87Å; T229-D231 PolarHBondContact O-N 3.48Å; T229-D231 PolarHBondContact OG1-N 3.48Å; T229-D231 PolarHBondContact OG1-OD1 3.01Å; T229-R232 PolarHBondContact N-O 3.14Å; T229-R232 WeakPolarHBondContact OG1-CB 3.37Å; T229-R232 PolarHBondContact OG1-N 3.2Å
230	S	84.3	Confident	90.8	Very high	104 Å²	104	21.2 Å²	21.2	73%	0.727	12%	0.118	S	C	*	.	S	Bend	trans	-58.1	-36	174.8	51.2	0	0	0	0	112.6
231	D	85.5	Confident	90.6	Very high	42 Å²	42	21.3 Å²	21.3	23%	0.225	12%	0.119	C	C	.	.	S	Bend	trans	-117.1	-10.6	-172.6	68.2	-35	0	0	0	114.7	K193 T229 P461	K193-D231 WeakPolarHBondContact CB-O 3.21Å; K193-D231 PolarHBondContact N-O 3.07Å; T229-D231 PolarHBondContact O-N 3.48Å; T229-D231 PolarHBondContact OG1-N 3.48Å; T229-D231 PolarHBondContact OG1-OD1 3.01Å; D231-P461 HydrophobicContact CB-CB 4.42Å
232	R	89.6	Confident	90.6	Very high	16 Å²	16	21 Å²	21	6%	0.06	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	157.9	-171	-64.2	156.4	-172	-87.1	6.9	114.2	I190 L191 K193 Q228 T229 T459	I190-R232 HydrophobicContact CG2-CB 4.13Å; I190-R232 HydrophobicContact CG2-CG 4.07Å; L191-R232 CarbonylContact O-C 3.48Å; L191-R232 WeakPolarHBondContact O-CA 3.39Å; L191-R232 WeakPolarHBondContact O-CB 3.3Å; K193-R232 WeakPolarHBondContact CE-O 3.4Å; Q228-R232 CarbonylContact C-O 3.55Å; Q228-R232 VanDerWaalsContact CA-O 3.31Å; Q228-R232 WeakPolarHBondContact CA-O 3.31Å; Q228-R232 WeakPolarHBondContact CB-O 3.4Å; T229-R232 PolarHBondContact N-O 3.14Å; T229-R232 WeakPolarHBondContact OG1-CB 3.37Å; T229-R232 PolarHBondContact OG1-N 3.2Å; R232-T459 PolarHBondContact NH2-O 2.84Å
233	L	90.3	Very high	90.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.6	166.3	-60.1	179.8	0	0	0	108.3	I190 L191 K193 I196 T205 Q228 F479 F482	I190-L233 WeakPolarHBondContact CA-O 3.48Å; L191-L233 HydrophobicContact CB-CB 4.42Å; L191-L233 PolarHBondContact N-O 2.7Å; L191-L233 PolarHBondContact O-N 2.78Å; K193-L233 HydrophobicContact CD-CD2 4.46Å; K193-L233 VanDerWaalsContact CE-CD2 3.45Å; K193-L233 HydrophobicContact CG-CD2 4.21Å; K193-L233 HydrophobicContact CG-CG 3.97Å; I196-L233 HydrophobicContact CD1-CD1 3.72Å; I196-L233 HydrophobicContact CD1-CG 4.44Å; T205-L233 HydrophobicContact CG2-CD1 3.63Å; Q228-L233 HydrophobicContact CB-CD2 3.68Å; L233-F479 HydrophobicContact CD1-CD1 3.61Å; L233-F479 HydrophobicContact CD1-CE1 3.51Å; L233-F479 HydrophobicContact CD1-CE2 4.42Å; L233-F479 HydrophobicContact CD1-CG 4.13Å; L233-F479 HydrophobicContact CD1-CZ 3.94Å; L233-F479 HydrophobicContact CD2-CB 4.24Å; L233-F479 HydrophobicContact CD2-CD1 4.33Å; L233-F479 HydrophobicContact CD2-CD2 4.48Å; L233-F479 HydrophobicContact CD2-CG 4.11Å; L233-F482 HydrophobicContact CB-CD1 4.47Å; L233-F482 HydrophobicContact CB-CE1 3.89Å; L233-F482 HydrophobicContact CB-CE2 3.94Å; L233-F482 HydrophobicContact CB-CZ 3.61Å; L233-F482 HydrophobicContact CD1-CD2 3.99Å; L233-F482 HydrophobicContact CD1-CE2 3.84Å; L233-F482 HydrophobicContact CD1-CZ 4.38Å; L233-F482 HydrophobicContact CD2-CB 4.35Å; L233-F482 HydrophobicContact CD2-CD1 3.83Å; L233-F482 HydrophobicContact CD2-CD2 3.94Å; L233-F482 HydrophobicContact CD2-CE1 4.13Å; L233-F482 HydrophobicContact CD2-CE2 4.22Å; L233-F482 HydrophobicContact CD2-CG 3.75Å; L233-F482 HydrophobicContact CD2-CZ 4.32Å; L233-F482 HydrophobicContact CG-CD2 4.37Å; L233-F482 HydrophobicContact CG-CE2 4.22Å; L233-F482 HydrophobicContact CG-CZ 4.31Å
234	C	91.2	Very high	90.7	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.007	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.2	-175.5	-63	0	0	0	0	110	I188 K189 S226 F227	I188-C234 HydrophobicContact CG2-CB 4.34Å; K189-C234 WeakPolarHBondContact O-CA 3.41Å; S226-C234 CarbonylContact C-O 3.59Å; S226-C234 VanDerWaalsContact CA-O 3.26Å; S226-C234 WeakPolarHBondContact CA-O 3.36Å; F227-C234 HydrophobicContact CD1-CB 4.15Å; F227-C234 HydrophobicContact CD2-CB 3.89Å; F227-C234 HydrophobicContact CE1-CB 3.85Å; F227-C234 HydrophobicContact CE2-CB 3.55Å; F227-C234 HydrophobicContact CG-CB 4.17Å; F227-C234 HydrophobicContact CZ-CB 3.54Å; F227-C234 PolarHBondContact N-O 3.21Å; F227-C234 PolarHBondContact O-N 3.14Å
235	F	92.8	Very high	90.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119.8	168.3	-57.1	-95.3	0	0	0	108.8	I188 K189 L191 T205 E208 N209 L212 L223 M237 F482	I188-F235 CarbonylContact C-O 3.13Å; I188-F235 VanDerWaalsContact CA-O 3.24Å; I188-F235 WeakPolarHBondContact CA-O 3.49Å; K189-F235 HydrophobicContact CB-CB 4.2Å; K189-F235 HydrophobicContact CB-CD2 4.28Å; K189-F235 HydrophobicContact CD-CD2 4.27Å; K189-F235 HydrophobicContact CG-CD2 4.47Å; K189-F235 PolarHBondContact N-O 3.47Å; K189-F235 PolarHBondContact O-N 3.18Å; L191-F235 HydrophobicContact CD1-CD2 4.43Å; L191-F235 HydrophobicContact CD1-CE2 3.76Å; L191-F235 HydrophobicContact CG-CE2 4.45Å; T205-F235 HydrophobicContact CG2-CE2 4.23Å; T205-F235 HydrophobicContact CG2-CZ 4.07Å; E208-F235 HydrophobicContact CG-CE1 4.34Å; E208-F235 HydrophobicContact CG-CZ 4.33Å; N209-F235 HydrophobicContact CB-CE1 3.65Å; N209-F235 HydrophobicContact CB-CZ 4.23Å; L212-F235 HydrophobicContact CD1-CD1 4.15Å; L212-F235 HydrophobicContact CD1-CE1 4.5Å; L223-F235 HydrophobicContact CD1-CB 3.95Å; L223-F235 HydrophobicContact CD1-CD1 4.02Å; F235-M237 HydrophobicContact CB-CG 4.06Å; F235-M237 HydrophobicContact CB-SD 4.14Å; F235-F482 AromaticContact CD1-CZ 3.98Å; F235-F482 HydrophobicContact CD1-CZ 3.98Å; F235-F482 AromaticContact CD2-CZ 3.94Å; F235-F482 HydrophobicContact CD2-CZ 3.94Å; F235-F482 AromaticContact CE1-CE2 3.69Å; F235-F482 HydrophobicContact CE1-CE2 3.69Å; F235-F482 AromaticContact CE1-CZ 3.56Å; F235-F482 HydrophobicContact CE1-CZ 3.56Å; F235-F482 AromaticContact CE2-CE2 3.81Å; F235-F482 HydrophobicContact CE2-CE2 3.81Å; F235-F482 AromaticContact CE2-CZ 3.52Å; F235-F482 HydrophobicContact CE2-CZ 3.52Å; F235-F482 HydrophobicContact CG-CZ 4.18Å; F235-F482 AromaticContact CZ-CE2 3.29Å; F235-F482 HydrophobicContact CZ-CE2 3.29Å; F235-F482 AromaticContact CZ-CZ 3.34Å; F235-F482 HydrophobicContact CZ-CZ 3.34Å
236	V	93.8	Very high	91.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	107.8	174.1	-173.3	0	0	0	0	107.9	F160 F186 I188 K224 Y225 F227	F160-V236 HydrophobicContact CE1-CG1 3.88Å; F160-V236 HydrophobicContact CE1-CG2 4.45Å; F160-V236 HydrophobicContact CE2-CG2 4.19Å; F160-V236 HydrophobicContact CZ-CG1 3.97Å; F160-V236 HydrophobicContact CZ-CG2 3.87Å; F186-V236 HydrophobicContact CB-CG1 3.55Å; F186-V236 HydrophobicContact CD1-CG1 3.96Å; F186-V236 HydrophobicContact CD2-CG1 4.06Å; F186-V236 HydrophobicContact CG-CG1 3.55Å; I188-V236 HydrophobicContact CD1-CG2 4.25Å; I188-V236 HydrophobicContact CG1-CG1 4.31Å; I188-V236 HydrophobicContact CG1-CG2 4.18Å; I188-V236 HydrophobicContact CG2-CG2 4.38Å; K224-V236 PolarHBondContact N-O 3.33Å; Y225-V236 HydrophobicContact CD2-CB 3.92Å; Y225-V236 HydrophobicContact CD2-CG1 3.92Å; Y225-V236 HydrophobicContact CD2-CG2 4.17Å; Y225-V236 HydrophobicContact CG-CB 4.42Å; Y225-V236 PolarHBondContact N-O 2.63Å; Y225-V236 PolarHBondContact O-N 3.3Å; F227-V236 HydrophobicContact CD1-CG2 4.3Å; F227-V236 HydrophobicContact CE1-CG2 3.62Å
237	M	94.1	Very high	91.3	Very high	20 Å²	20	25.4 Å²	25.4	10%	0.099	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	156.7	-170.8	-56.4	173.9	-60	0	0	110.8	F186 A187 K189 L212 T221 S222 L223 F235 Y239	F186-M237 WeakPolarHBondContact CA-O 3.3Å; F186-M237 WeakPolarHBondContact CD1-O 3.12Å; A187-M237 PolarHBondContact N-O 3.29Å; A187-M237 PolarHBondContact O-N 3.24Å; K189-M237 HydrophobicContact CB-CE 3.71Å; K189-M237 HydrophobicContact CD-CE 4.48Å; L212-M237 HydrophobicContact CD1-SD 4.18Å; T221-M237 HydrophobicContact CG2-CB 4.05Å; S222-M237 CarbonylContact O-C 3.6Å; S222-M237 VanDerWaalsContact O-CA 3.31Å; S222-M237 WeakPolarHBondContact O-CA 3.36Å; L223-M237 HydrophobicContact CD1-CG 4.02Å; F235-M237 HydrophobicContact CB-CG 4.06Å; F235-M237 HydrophobicContact CB-SD 4.14Å; M237-Y239 PolarHBondContact O-N 3.48Å
238	E	93.1	Very high	91.6	Very high	35 Å²	35	25.1 Å²	25.1	16%	0.164	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.6	132.8	169.7	-179.1	178.2	-172.4	0	0	111.5	T221 S222 K298 F491	T221-E238 HydrophobicContact CG2-CB 4.2Å; S222-E238 PolarHBondContact N-OE2 2.92Å; S222-E238 PolarHBondContact O-N 3.15Å; S222-E238 WeakPolarHBondContact OG-CB 3.48Å; S222-E238 PolarHBondContact OG-OE2 2.67Å; E238-K298 WeakPolarHBondContact OE1-CE 3.42Å; E238-K298 IonicContact OE1-NZ 3.45Å; E238-K298 PolarHBondContact OE1-NZ 3.3Å; E238-K298 IonicContact OE2-NZ 2.67Å; E238-K298 PolarHBondContact OE2-NZ 3.48Å; E238-F491 HydrophobicContact CB-CE1 4.06Å; E238-F491 HydrophobicContact CG-CD1 4.3Å; E238-F491 HydrophobicContact CG-CE1 4.06Å
239	Y	94	Very high	92	Very high	13 Å²	13	23 Å²	23	5%	0.051	12%	0.122	C	C	.	.			trans	-90.6	116.8	177.8	173.3	-125.4	0	0	0	111.2	L166 L176 L185 A187 M237 C241 D443 F447	L166-Y239 HydrophobicContact CD1-CD2 3.77Å; L166-Y239 HydrophobicContact CD1-CE2 3.57Å; L166-Y239 HydrophobicContact CD2-CE2 4.09Å; L166-Y239 HydrophobicContact CG-CE2 4.49Å; L176-Y239 HydrophobicContact CD1-CD1 3.67Å; L176-Y239 HydrophobicContact CD1-CD2 3.9Å; L176-Y239 HydrophobicContact CD1-CE1 3.72Å; L176-Y239 HydrophobicContact CD1-CE2 3.96Å; L176-Y239 HydrophobicContact CD1-CG 3.76Å; L176-Y239 HydrophobicContact CD2-CE1 4.5Å; L185-Y239 HydrophobicContact CB-CD1 4.26Å; A187-Y239 HydrophobicContact CB-CD2 4.48Å; M237-Y239 PolarHBondContact O-N 3.48Å; Y239-C241 HydrophobicContact CD1-CB 4.08Å; Y239-C241 HydrophobicContact CE1-CB 3.43Å; Y239-C241 VanDerWaalsContact CE1-CB 3.43Å; Y239-D443 PolarHBondContact OH-O 3.38Å; Y239-D443 VanDerWaalsContact OH-O 3.09Å; Y239-F447 HydrophobicContact CE2-CE1 4.39Å; Y239-F447 AromaticContact CE2-CE2 3.89Å; Y239-F447 HydrophobicContact CE2-CE2 3.89Å; Y239-F447 AromaticContact CE2-CZ 3.5Å; Y239-F447 HydrophobicContact CE2-CZ 3.5Å; Y239-F447 AromaticContact CZ-CE2 3.96Å; Y239-F447 WeakPolarHBondContact OH-CE2 3.27Å
240	A	93.9	Very high	92.4	Very high	4 Å²	4	26.7 Å²	26.7	3%	0.033	14%	0.137	C	C	.	.			trans	-93.4	92.9	174.1	0	0	0	0	0	110.4	G242 G243 L290 L291 K298 F447	A240-G242 PolarHBondContact O-N 3.05Å; A240-G243 PolarHBondContact O-N 3.39Å; A240-L290 HydrophobicContact CB-CB 3.68Å; A240-L290 HydrophobicContact CB-CD1 3.91Å; A240-L290 HydrophobicContact CB-CG 4.46Å; A240-L291 CarbonylContact C-O 3.59Å; A240-L291 WeakPolarHBondContact CB-O 3.48Å; A240-K298 HydrophobicContact CB-CB 4.19Å; A240-K298 HydrophobicContact CB-CG 4.24Å; A240-F447 WeakPolarHBondContact O-CZ 3.14Å
241	C	93	Very high	92.8	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.034	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-14.6	-172.2	63.9	0	0	0	0	115.3	Y239 G243 R293 V438	Y239-C241 HydrophobicContact CD1-CB 4.08Å; Y239-C241 HydrophobicContact CE1-CB 3.43Å; Y239-C241 VanDerWaalsContact CE1-CB 3.43Å; C241-G243 PolarHBondContact O-N 3.5Å; C241-R293 VanDerWaalsContact SG-CA 3.59Å; C241-V438 HydrophobicContact CB-CG1 4.49Å
242	G	93.9	Very high	93.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-6.1	175.7	0	0	0	0	0	113.5	A240 H248 L291 Y446	A240-G242 PolarHBondContact O-N 3.05Å; G242-H248 PolarHBondContact O-NE2 3.4Å; G242-L291 WeakPolarHBondContact CA-O 3.28Å; G242-L291 PolarHBondContact N-O 3.26Å; G242-Y446 WeakPolarHBondContact O-CB 3.44Å
243	G	92.6	Very high	93.4	Very high	0 Å²	0	41 Å²	41	0%	0	18%	0.175	C	C	.	.			trans	70.1	-169.7	177.4	0	0	0	0	0	113.3	A240 C241 L290 L291	A240-G243 PolarHBondContact O-N 3.39Å; C241-G243 PolarHBondContact O-N 3.5Å; G243-L290 CarbonylContact O-C 3.41Å; G243-L290 VanDerWaalsContact O-CA 3.26Å; G243-L290 WeakPolarHBondContact O-CA 3.23Å; G243-L291 PolarHBondContact O-N 3.09Å
244	E	93.8	Very high	93.7	Very high	67 Å²	67	44.5 Å²	44.5	31%	0.313	19%	0.193	S	C	.	.	B	Isolated β-bridge	trans	-74	137.8	-175.8	-64.9	171.2	-163.1	0	0	112	F246 F247 H248 L290	E244-F246 HydrophobicContact CB-CB 4.27Å; E244-F246 PolarHBondContact O-N 3.29Å; E244-F247 WeakPolarHBondContact O-CB 3.42Å; E244-F247 PolarHBondContact O-N 2.92Å; E244-H248 PolarHBondContact O-CD2 3.12Å; E244-H248 VanDerWaalsContact O-CD2 3.23Å; E244-H248 PolarHBondContact O-N 2.93Å; E244-L290 HydrophobicContact CB-CD2 4.19Å; E244-L290 HydrophobicContact CG-CD2 3.56Å
245	L	95.7	Very high	94	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.2	-29.7	173.6	-166.8	64.5	0	0	0	111.5	F247 H248 L249 F255 Y263 L286 L289 L291 I297 M351	L245-F247 VanDerWaalsContact C-N 3.34Å; L245-F247 PolarHBondContact O-N 2.89Å; L245-H248 PolarHBondContact O-N 3.47Å; L245-L249 PolarHBondContact O-N 3.13Å; L245-F255 HydrophobicContact CD1-CE2 3.75Å; L245-F255 HydrophobicContact CD1-CZ 4.08Å; L245-F255 HydrophobicContact CG-CE2 4.05Å; L245-Y263 HydrophobicContact CD1-CD2 4.01Å; L245-Y263 HydrophobicContact CD1-CE2 3.67Å; L245-Y263 HydrophobicContact CD2-CD2 4.26Å; L245-L286 HydrophobicContact CD2-CD2 4.05Å; L245-L286 HydrophobicContact CG-CD2 4.28Å; L245-L289 HydrophobicContact CB-CB 3.98Å; L245-L289 VanDerWaalsContact CB-O 3.24Å; L245-L289 WeakPolarHBondContact CB-O 3.24Å; L245-L289 HydrophobicContact CD2-CB 4.16Å; L245-L289 HydrophobicContact CD2-CD1 4.09Å; L245-L289 PolarHBondContact N-O 3.14Å; L245-L291 HydrophobicContact CD1-CD1 4.14Å; L245-L291 HydrophobicContact CD1-CD2 4.17Å; L245-L291 HydrophobicContact CD1-CG 4.22Å; L245-I297 HydrophobicContact CD2-CD1 3.89Å; L245-M351 HydrophobicContact CD2-CE 3.35Å; L245-M351 HydrophobicContact CD2-SD 4.23Å
246	F	93.5	Very high	94.2	Very high	55 Å²	55	48.7 Å²	48.7	24%	0.241	22%	0.219	C	C	.	.	H	α-helix	trans	-53.5	-47.8	170.1	-176	-109.1	0	0	0	112.5	E244 H248 L249 Q250 L286 E287	E244-F246 HydrophobicContact CB-CB 4.27Å; E244-F246 PolarHBondContact O-N 3.29Å; F246-H248 PolarHBondContact O-N 2.92Å; F246-L249 PolarHBondContact O-N 3.32Å; F246-Q250 HydrophobicContact CD1-CG 4.35Å; F246-Q250 HydrophobicContact CE1-CG 4.06Å; F246-Q250 HydrophobicContact CE2-CG 4.3Å; F246-Q250 HydrophobicContact CZ-CG 4.05Å; F246-Q250 WeakPolarHBondContact O-CG 3.32Å; F246-Q250 PolarHBondContact O-N 3.15Å; F246-L286 HydrophobicContact CB-CB 3.84Å; F246-L286 HydrophobicContact CD2-CB 4.02Å; F246-L286 HydrophobicContact CD2-CD1 4.12Å; F246-L286 HydrophobicContact CG-CB 4.43Å; F246-L286 PolarHBondContact N-O 3.36Å; F246-E287 HydrophobicContact CB-CG 4.44Å; F246-E287 HydrophobicContact CG-CG 4.35Å
247	F	92.3	Very high	94.4	Very high	62 Å²	62	50.7 Å²	50.7	27%	0.272	23%	0.228	S	C	.	.	H	α-helix	trans	-59.1	-45.7	178.8	176.6	-91.4	0	0	0	111.8	E244 L245 Q250 R251 Y446	E244-F247 WeakPolarHBondContact O-CB 3.42Å; E244-F247 PolarHBondContact O-N 2.92Å; L245-F247 VanDerWaalsContact C-N 3.34Å; L245-F247 PolarHBondContact O-N 2.89Å; F247-Q250 PolarHBondContact O-N 3.43Å; F247-R251 PolarHBondContact O-N 3.14Å; F247-R251 VanDerWaalsContact O-N 3.11Å; F247-Y446 HydrophobicContact CD1-CD1 4.01Å; F247-Y446 AromaticContact CE1-CD1 3.69Å; F247-Y446 HydrophobicContact CE1-CD1 3.69Å; F247-Y446 HydrophobicContact CE1-CE1 4.45Å
248	H	94.8	Very high	94.6	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.009	25%	0.253	C	S	.	.	H	α-helix	trans	-63.2	-44.8	178	-66.5	-73.6	0	0	0	111.9	G242 E244 L245 F246 Q250 R251 E252 F255 F434 Y446	G242-H248 PolarHBondContact O-NE2 3.4Å; E244-H248 PolarHBondContact O-CD2 3.12Å; E244-H248 VanDerWaalsContact O-CD2 3.23Å; E244-H248 PolarHBondContact O-N 2.93Å; L245-H248 PolarHBondContact O-N 3.47Å; F246-H248 PolarHBondContact O-N 2.92Å; H248-Q250 VanDerWaalsContact C-N 3.35Å; H248-Q250 PolarHBondContact O-N 3.2Å; H248-R251 PolarHBondContact O-N 2.96Å; H248-E252 PolarHBondContact O-N 2.89Å; H248-F255 HydrophobicContact CB-CE1 4.34Å; H248-F255 HydrophobicContact CB-CZ 3.86Å; H248-F434 AromaticContact CE1-CE1 3.42Å; H248-F434 VanDerWaalsContact CE1-CE1 3.42Å; H248-F434 WeakPolarHBondContact CE1-CE1 3.29Å; H248-F434 AromaticContact CE1-CZ 3.58Å; H248-F434 AromaticContact ND1-CE1 3.52Å; H248-F434 AromaticContact ND1-CZ 3.52Å; H248-Y446 AromaticContact CE1-CD1 3.33Å; H248-Y446 WeakPolarHBondContact CE1-CD1 3.47Å; H248-Y446 AromaticContact CE1-CE1 3.54Å; H248-Y446 AromaticContact NE2-CD1 3.92Å
249	L	95.7	Very high	94.8	Very high	10 Å²	10	55.1 Å²	55.1	5%	0.052	25%	0.248	C	C	.	.	H	α-helix	trans	-65.1	-39.5	179.1	-174	63.9	0	0	0	111.7	L245 F246 R251 E252 R253 F255 L286 E350	L245-L249 PolarHBondContact O-N 3.13Å; F246-L249 PolarHBondContact O-N 3.32Å; L249-R251 VanDerWaalsContact C-N 3.33Å; L249-R251 PolarHBondContact O-N 3.32Å; L249-E252 PolarHBondContact O-N 3.16Å; L249-R253 CarbonylContact O-C 3.47Å; L249-R253 WeakPolarHBondContact O-CA 3.43Å; L249-R253 PolarHBondContact O-N 2.69Å; L249-F255 HydrophobicContact CB-CE1 4.35Å; L249-F255 HydrophobicContact CB-CE2 4.21Å; L249-F255 HydrophobicContact CB-CZ 3.87Å; L249-F255 HydrophobicContact CD1-CD1 4.04Å; L249-F255 HydrophobicContact CD1-CD2 4.11Å; L249-F255 HydrophobicContact CD1-CE1 4.08Å; L249-F255 HydrophobicContact CD1-CE2 4.14Å; L249-F255 HydrophobicContact CD1-CG 4.04Å; L249-F255 HydrophobicContact CD1-CZ 4.13Å; L249-L286 HydrophobicContact CD2-CD1 3.46Å; L249-L286 VanDerWaalsContact CD2-CD1 3.46Å; L249-L286 HydrophobicContact CD2-CD2 4.48Å; L249-E350 HydrophobicContact CD2-CG 3.87Å
250	Q	92.9	Very high	95.1	Very high	125 Å²	125	54.5 Å²	54.5	58%	0.584	25%	0.245	S	C	*	.	H	α-helix	trans	-61.2	-42	175.7	-76.8	-165	-28.3	0	0	112.2	F246 F247 H248	F246-Q250 HydrophobicContact CD1-CG 4.35Å; F246-Q250 HydrophobicContact CE1-CG 4.06Å; F246-Q250 HydrophobicContact CE2-CG 4.3Å; F246-Q250 HydrophobicContact CZ-CG 4.05Å; F246-Q250 WeakPolarHBondContact O-CG 3.32Å; F246-Q250 PolarHBondContact O-N 3.15Å; F247-Q250 PolarHBondContact O-N 3.43Å; H248-Q250 VanDerWaalsContact C-N 3.35Å; H248-Q250 PolarHBondContact O-N 3.2Å
251	R	92	Very high	95.3	Very high	179 Å²	179	56.4 Å²	56.4	68%	0.675	25%	0.252	S	S	*	.	H	α-helix	trans	-68	-42	179.3	-177.3	175.8	166.1	-178.2	-7.1	112.3	F247 H248 L249	F247-R251 PolarHBondContact O-N 3.14Å; F247-R251 VanDerWaalsContact O-N 3.11Å; H248-R251 PolarHBondContact O-N 2.96Å; L249-R251 VanDerWaalsContact C-N 3.33Å; L249-R251 PolarHBondContact O-N 3.32Å
252	E	94.3	Very high	95.6	Very high	83 Å²	83	56.7 Å²	56.7	39%	0.388	25%	0.252	S	S	.	.	H	α-helix	trans	-92.4	-10.1	-175.6	-67.4	-179.6	-123.6	0	0	114.2	H248 L249 L254 F255 R259	H248-E252 PolarHBondContact O-N 2.89Å; L249-E252 PolarHBondContact O-N 3.16Å; E252-L254 PolarHBondContact O-N 3.41Å; E252-F255 HydrophobicContact CB-CD1 4.48Å; E252-F255 HydrophobicContact CB-CE1 4.24Å; E252-R259 IonicContact OE1-CZ 2.74Å; E252-R259 IonicContact OE1-NH1 3.29Å; E252-R259 PolarHBondContact OE1-NH1 3Å; E252-R259 IonicContact OE1-NH2 3.63Å; E252-R259 IonicContact OE2-NH1 3.61Å; E252-R259 PolarHBondContact OE2-NH1 2.88Å
253	R	94.3	Very high	95.8	Very high	201 Å²	201	56.7 Å²	56.7	76%	0.758	25%	0.252	S	S	*	.	S	Bend	trans	67.1	-35.9	-176.8	-52.8	-179	174.7	-170	-1.9	115.8	L249 G354	L249-R253 CarbonylContact O-C 3.47Å; L249-R253 WeakPolarHBondContact O-CA 3.43Å; L249-R253 PolarHBondContact O-N 2.69Å; R253-G354 WeakPolarHBondContact O-CA 3.45Å
254	L	95.4	Very high	96.1	Very high	73 Å²	73	56.7 Å²	56.7	38%	0.382	25%	0.252	S	S	.	.	S	Bend	trans	-157.9	149.1	175.5	66.8	102.7	0	0	0	110.4	E252	E252-L254 PolarHBondContact O-N 3.41Å
255	F	97.9	Very high	96.3	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.018	24%	0.237	C	C	.	.			trans	-95.7	156	171.3	-62.2	-25	0	0	0	111.5	L245 H248 L249 E252 R259 Y263 M351	L245-F255 HydrophobicContact CD1-CE2 3.75Å; L245-F255 HydrophobicContact CD1-CZ 4.08Å; L245-F255 HydrophobicContact CG-CE2 4.05Å; H248-F255 HydrophobicContact CB-CE1 4.34Å; H248-F255 HydrophobicContact CB-CZ 3.86Å; L249-F255 HydrophobicContact CB-CE1 4.35Å; L249-F255 HydrophobicContact CB-CE2 4.21Å; L249-F255 HydrophobicContact CB-CZ 3.87Å; L249-F255 HydrophobicContact CD1-CD1 4.04Å; L249-F255 HydrophobicContact CD1-CD2 4.11Å; L249-F255 HydrophobicContact CD1-CE1 4.08Å; L249-F255 HydrophobicContact CD1-CE2 4.14Å; L249-F255 HydrophobicContact CD1-CG 4.04Å; L249-F255 HydrophobicContact CD1-CZ 4.13Å; E252-F255 HydrophobicContact CB-CD1 4.48Å; E252-F255 HydrophobicContact CB-CE1 4.24Å; F255-R259 HydrophobicContact CB-CB 4.23Å; F255-R259 HydrophobicContact CB-CG 4.18Å; F255-R259 HydrophobicContact CD2-CG 4.38Å; F255-R259 HydrophobicContact CG-CG 4.2Å; F255-Y263 HydrophobicContact CD2-CD2 4.27Å; F255-Y263 HydrophobicContact CD2-CE2 4.17Å; F255-Y263 HydrophobicContact CE2-CD2 4.29Å; F255-Y263 AromaticContact CE2-CE2 3.99Å; F255-Y263 HydrophobicContact CE2-CE2 3.99Å; F255-M351 HydrophobicContact CB-CB 4.39Å; F255-M351 HydrophobicContact CD2-CB 3.93Å; F255-M351 HydrophobicContact CD2-CG 3.83Å; F255-M351 HydrophobicContact CD2-SD 3.9Å; F255-M351 HydrophobicContact CE2-CG 4.26Å; F255-M351 HydrophobicContact CE2-SD 4.33Å; F255-M351 PolarHBondContact N-O 3.49Å
256	T	97.6	Very high	96.5	Very high	85 Å²	85	53.5 Å²	53.5	52%	0.521	24%	0.237	S	C	.	.			trans	-69.7	155.9	171	62.6	0	0	0	0	110.1	E258 R259 T260	T256-E258 PolarHBondContact O-N 2.96Å; T256-R259 PolarHBondContact O-N 2.81Å; T256-R259 VanDerWaalsContact O-N 3.11Å; T256-R259 WeakPolarHBondContact OG1-CB 3.31Å; T256-R259 PolarHBondContact OG1-N 2.58Å; T256-R259 VanDerWaalsContact OG1-N 3.15Å; T256-T260 PolarHBondContact O-N 3.03Å; T256-T260 PolarHBondContact O-OG1 2.76Å
257	E	98.1	Very high	96.7	Very high	41 Å²	41	50.9 Å²	50.9	19%	0.192	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-29.5	175.2	-64	-168.7	-170.8	0	0	112.2	R261 M352 L381 S382 F416	E257-R261 WeakPolarHBondContact O-CB 3.39Å; E257-R261 PolarHBondContact O-N 3.14Å; E257-M352 HydrophobicContact CB-SD 4.48Å; E257-M352 HydrophobicContact CG-CG 4.44Å; E257-M352 HydrophobicContact CG-SD 3.94Å; E257-L381 WeakPolarHBondContact OE1-CA 3.39Å; E257-S382 VanDerWaalsContact CD-OG 3.31Å; E257-S382 PolarHBondContact OE1-N 2.92Å; E257-S382 PolarHBondContact OE1-OG 3.04Å; E257-S382 VanDerWaalsContact OE2-CB 3.23Å; E257-S382 WeakPolarHBondContact OE2-CB 3.32Å; E257-S382 PolarHBondContact OE2-OG 3.15Å; E257-F416 HydrophobicContact CB-CE2 4.28Å
258	E	98	Very high	97	Very high	135 Å²	135	47.9 Å²	47.9	63%	0.631	21%	0.213	S	C	*	.	H	α-helix	trans	-64.1	-48.5	172.8	-177	177.8	-171.8	0	0	112.3	T256 R261 F262	T256-E258 PolarHBondContact O-N 2.96Å; E258-R261 WeakPolarHBondContact O-CB 3.45Å; E258-R261 PolarHBondContact O-N 2.76Å; E258-F262 PolarHBondContact O-N 3.31Å
259	R	98.1	Very high	97.2	Very high	13 Å²	13	48.5 Å²	48.5	5%	0.049	22%	0.217	C	C	.	.	H	α-helix	trans	-65.2	-42.3	177	-178.8	166.9	-174	-165.3	-3.4	112.1	E252 F255 T256 R261 F262 Y263 P433 F434	E252-R259 IonicContact OE1-CZ 2.74Å; E252-R259 IonicContact OE1-NH1 3.29Å; E252-R259 PolarHBondContact OE1-NH1 3Å; E252-R259 IonicContact OE1-NH2 3.63Å; E252-R259 IonicContact OE2-NH1 3.61Å; E252-R259 PolarHBondContact OE2-NH1 2.88Å; F255-R259 HydrophobicContact CB-CB 4.23Å; F255-R259 HydrophobicContact CB-CG 4.18Å; F255-R259 HydrophobicContact CD2-CG 4.38Å; F255-R259 HydrophobicContact CG-CG 4.2Å; T256-R259 PolarHBondContact O-N 2.81Å; T256-R259 VanDerWaalsContact O-N 3.11Å; T256-R259 WeakPolarHBondContact OG1-CB 3.31Å; T256-R259 PolarHBondContact OG1-N 2.58Å; T256-R259 VanDerWaalsContact OG1-N 3.15Å; R259-R261 VanDerWaalsContact C-N 3.32Å; R259-R261 PolarHBondContact O-N 2.95Å; R259-F262 PolarHBondContact O-N 3.39Å; R259-Y263 HydrophobicContact CG-CD2 3.94Å; R259-Y263 HydrophobicContact CG-CE2 3.41Å; R259-Y263 VanDerWaalsContact CG-CE2 3.41Å; R259-Y263 VanDerWaalsContact NE-CE2 3.27Å; R259-Y263 PolarHBondContact NE-OH 3.09Å; R259-Y263 PolarHBondContact NH2-OH 3.18Å; R259-Y263 WeakPolarHBondContact O-CD2 3.47Å; R259-Y263 PolarHBondContact O-N 3.44Å; R259-Y263 VanDerWaalsContact O-N 3.12Å; R259-P433 HydrophobicContact CB-CB 4.36Å; R259-P433 HydrophobicContact CB-CG 4.06Å; R259-P433 HydrophobicContact CG-CB 4.48Å; R259-P433 HydrophobicContact CG-CG 3.86Å; R259-F434 VanDerWaalsContact CZ-CB 3.49Å
260	T	98.4	Very high	97.3	Very high	0 Å²	0	48 Å²	48	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-65.3	-34.4	174.4	-56.8	0	0	0	0	112.4	T256 G264 M348 M351 M352	T256-T260 PolarHBondContact O-N 3.03Å; T256-T260 PolarHBondContact O-OG1 2.76Å; T260-G264 WeakPolarHBondContact O-CA 3.48Å; T260-G264 PolarHBondContact O-N 3.22Å; T260-M348 HydrophobicContact CG2-CB 4Å; T260-M348 HydrophobicContact CG2-CE 3.87Å; T260-M348 HydrophobicContact CG2-CG 4.04Å; T260-M351 HydrophobicContact CG2-CB 3.92Å; T260-M351 HydrophobicContact CG2-CG 4.5Å; T260-M351 HydrophobicContact CG2-SD 3.9Å; T260-M351 VanDerWaalsContact OG1-CB 3.3Å; T260-M351 WeakPolarHBondContact OG1-CB 3.47Å; T260-M352 HydrophobicContact CG2-CE 3.93Å; T260-M352 HydrophobicContact CG2-CG 3.73Å; T260-M352 HydrophobicContact CG2-SD 4.17Å; T260-M352 WeakPolarHBondContact OG1-CG 3.19Å
261	R	98.7	Very high	97.6	Very high	45 Å²	45	42 Å²	42	17%	0.17	19%	0.187	C	C	.	.	H	α-helix	trans	-63.5	-44.5	174.4	-175	-171.2	-60.3	103	12.5	111.6	E257 E258 R259 A265 F416 F417 I420	E257-R261 WeakPolarHBondContact O-CB 3.39Å; E257-R261 PolarHBondContact O-N 3.14Å; E258-R261 WeakPolarHBondContact O-CB 3.45Å; E258-R261 PolarHBondContact O-N 2.76Å; R259-R261 VanDerWaalsContact C-N 3.32Å; R259-R261 PolarHBondContact O-N 2.95Å; R261-A265 VanDerWaalsContact O-CB 3.26Å; R261-A265 WeakPolarHBondContact O-CB 3.22Å; R261-A265 PolarHBondContact O-N 3.35Å; R261-F416 HydrophobicContact CB-CD1 4.43Å; R261-F416 HydrophobicContact CB-CE1 3.62Å; R261-F416 HydrophobicContact CB-CZ 3.88Å; R261-F416 VanDerWaalsContact CD-O 3.31Å; R261-F416 WeakPolarHBondContact CD-O 3.27Å; R261-F416 HydrophobicContact CG-CD1 4.2Å; R261-F416 HydrophobicContact CG-CE1 3.87Å; R261-F416 HydrophobicContact CG-CZ 4.48Å; R261-F416 PolarHBondContact NE-O 3.27Å; R261-F417 HydrophobicContact CG-CD1 3.84Å; R261-F417 HydrophobicContact CG-CE1 4.15Å; R261-I420 HydrophobicContact CG-CD1 4.05Å; R261-I420 HydrophobicContact CG-CG1 4.04Å
262	F	98.8	Very high	97.9	Very high	10 Å²	10	34.4 Å²	34.4	4%	0.044	16%	0.161	C	C	.	.	H	α-helix	trans	-58.6	-57.5	176.6	178.3	-93.9	0	0	0	111.1	E258 R259 G264 A265 E266 H296 L425 I430 P432 P433	E258-F262 PolarHBondContact O-N 3.31Å; R259-F262 PolarHBondContact O-N 3.39Å; F262-G264 PolarHBondContact O-N 3.48Å; F262-A265 PolarHBondContact O-N 2.99Å; F262-E266 HydrophobicContact CE1-CG 4.49Å; F262-E266 WeakPolarHBondContact CZ-OE1 3.49Å; F262-E266 PolarHBondContact O-N 2.91Å; F262-H296 AromaticContact CZ-CE1 3.94Å; F262-H296 AromaticContact CZ-ND1 3.67Å; F262-L425 HydrophobicContact CE2-CD1 4.31Å; F262-I430 HydrophobicContact CD2-CG2 3.87Å; F262-I430 HydrophobicContact CE2-CB 4.15Å; F262-I430 HydrophobicContact CE2-CG2 3.77Å; F262-P432 HydrophobicContact CE1-CB 3.97Å; F262-P432 HydrophobicContact CE1-CG 4.29Å; F262-P432 HydrophobicContact CZ-CB 3.89Å; F262-P432 HydrophobicContact CZ-CG 3.8Å; F262-P433 HydrophobicContact CB-CG 3.98Å; F262-P433 HydrophobicContact CD1-CG 4.01Å; F262-P433 VanDerWaalsContact CG-CD 3.44Å; F262-P433 HydrophobicContact CG-CG 4.04Å
263	Y	98.8	Very high	98	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.9	-40.5	179.8	-61	-37.6	0	0	0	113	L245 F255 R259 A265 E266 I267 L291 I297 M351	L245-Y263 HydrophobicContact CD1-CD2 4.01Å; L245-Y263 HydrophobicContact CD1-CE2 3.67Å; L245-Y263 HydrophobicContact CD2-CD2 4.26Å; F255-Y263 HydrophobicContact CD2-CD2 4.27Å; F255-Y263 HydrophobicContact CD2-CE2 4.17Å; F255-Y263 HydrophobicContact CE2-CD2 4.29Å; F255-Y263 AromaticContact CE2-CE2 3.99Å; F255-Y263 HydrophobicContact CE2-CE2 3.99Å; R259-Y263 HydrophobicContact CG-CD2 3.94Å; R259-Y263 HydrophobicContact CG-CE2 3.41Å; R259-Y263 VanDerWaalsContact CG-CE2 3.41Å; R259-Y263 VanDerWaalsContact NE-CE2 3.27Å; R259-Y263 PolarHBondContact NE-OH 3.09Å; R259-Y263 PolarHBondContact NH2-OH 3.18Å; R259-Y263 WeakPolarHBondContact O-CD2 3.47Å; R259-Y263 PolarHBondContact O-N 3.44Å; R259-Y263 VanDerWaalsContact O-N 3.12Å; Y263-A265 VanDerWaalsContact C-N 3.28Å; Y263-A265 PolarHBondContact O-N 3.39Å; Y263-E266 PolarHBondContact O-N 3.42Å; Y263-I267 WeakPolarHBondContact O-CD1 3.27Å; Y263-I267 VanDerWaalsContact O-CG1 3.24Å; Y263-I267 WeakPolarHBondContact O-CG1 3.46Å; Y263-I267 PolarHBondContact O-N 2.93Å; Y263-L291 HydrophobicContact CD1-CD2 4.41Å; Y263-L291 HydrophobicContact CE1-CD2 3.79Å; Y263-I297 HydrophobicContact CD1-CD1 3.87Å; Y263-I297 HydrophobicContact CD1-CG1 3.74Å; Y263-I297 HydrophobicContact CG-CD1 4.09Å; Y263-I297 HydrophobicContact CG-CG1 4.23Å; Y263-M351 HydrophobicContact CD2-SD 4.05Å
264	G	98.7	Very high	98.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.1	-38.4	176.2	0	0	0	0	0	112.2	T260 F262 I267 V268	T260-G264 WeakPolarHBondContact O-CA 3.48Å; T260-G264 PolarHBondContact O-N 3.22Å; F262-G264 PolarHBondContact O-N 3.48Å; G264-I267 PolarHBondContact O-N 2.91Å; G264-V268 WeakPolarHBondContact O-CB 3.42Å; G264-V268 WeakPolarHBondContact O-CG2 3.35Å; G264-V268 PolarHBondContact O-N 3.24Å
265	A	98.9	Very high	98.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-67.5	-40.9	176.8	0	0	0	0	0	111.7	R261 F262 Y263 V268 S269 F417 I420 W422 L425	R261-A265 VanDerWaalsContact O-CB 3.26Å; R261-A265 WeakPolarHBondContact O-CB 3.22Å; R261-A265 PolarHBondContact O-N 3.35Å; F262-A265 PolarHBondContact O-N 2.99Å; Y263-A265 VanDerWaalsContact C-N 3.28Å; Y263-A265 PolarHBondContact O-N 3.39Å; A265-V268 PolarHBondContact O-N 3.39Å; A265-S269 WeakPolarHBondContact O-CB 3.43Å; A265-S269 PolarHBondContact O-N 3.2Å; A265-F417 HydrophobicContact CB-CD1 4.09Å; A265-F417 HydrophobicContact CB-CE1 3.97Å; A265-I420 HydrophobicContact CB-CD1 4.35Å; A265-I420 HydrophobicContact CB-CG1 4.1Å; A265-I420 HydrophobicContact CB-CG2 4.09Å; A265-W422 HydrophobicContact CB-CH2 3.98Å; A265-W422 HydrophobicContact CB-CZ3 4.09Å; A265-W422 WeakPolarHBondContact O-CZ3 2.98Å; A265-L425 HydrophobicContact CB-CD1 4.42Å; A265-L425 HydrophobicContact CB-CD2 3.61Å
266	E	98.8	Very high	98.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.4	-40.7	176.6	-64.5	-170.8	146.1	0	0	112	F219 F262 Y263 S269 A270 H296 I297 L425	F219-E266 HydrophobicContact CD1-CB 4.22Å; F219-E266 HydrophobicContact CD1-CG 4.21Å; F219-E266 HydrophobicContact CD2-CB 3.66Å; F219-E266 HydrophobicContact CD2-CG 4.04Å; F219-E266 WeakPolarHBondContact CD2-O 3.3Å; F219-E266 HydrophobicContact CE1-CB 4.37Å; F219-E266 HydrophobicContact CE1-CG 3.89Å; F219-E266 WeakPolarHBondContact CE1-OE1 3.38Å; F219-E266 HydrophobicContact CE2-CB 3.88Å; F219-E266 HydrophobicContact CE2-CG 3.75Å; F219-E266 HydrophobicContact CG-CB 3.88Å; F219-E266 HydrophobicContact CG-CG 4.3Å; F219-E266 HydrophobicContact CZ-CB 4.22Å; F219-E266 HydrophobicContact CZ-CG 3.65Å; F219-E266 WeakPolarHBondContact CZ-OE1 3.46Å; F262-E266 HydrophobicContact CE1-CG 4.49Å; F262-E266 WeakPolarHBondContact CZ-OE1 3.49Å; F262-E266 PolarHBondContact O-N 2.91Å; Y263-E266 PolarHBondContact O-N 3.42Å; E266-S269 PolarHBondContact O-N 3Å; E266-A270 WeakPolarHBondContact O-CB 3.37Å; E266-A270 PolarHBondContact O-N 3.21Å; E266-H296 IonicContact OE1-CE1 2.71Å; E266-H296 IonicContact OE1-CG 2.7Å; E266-H296 IonicContact OE1-ND1 2.77Å; E266-H296 PolarHBondContact OE1-ND1 3.47Å; E266-I297 HydrophobicContact CB-CB 4.02Å; E266-I297 HydrophobicContact CB-CG1 4.17Å; E266-I297 VanDerWaalsContact OE2-CB 3.31Å; E266-I297 WeakPolarHBondContact OE2-CB 3.35Å; E266-I297 VanDerWaalsContact OE2-CG1 3.26Å; E266-I297 WeakPolarHBondContact OE2-CG1 3.46Å; E266-I297 PolarHBondContact OE2-N 3.28Å; E266-L425 HydrophobicContact CG-CD1 3.84Å; E266-L425 HydrophobicContact CG-CD2 4.4Å; E266-L425 HydrophobicContact CG-CG 4.26Å
267	I	98.8	Very high	97.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.8	-48.3	174.3	-65.4	161.7	0	0	0	110.5	Y263 G264 S269 A270 L271 I284 L289 I297 T344 V347 M351	Y263-I267 WeakPolarHBondContact O-CD1 3.27Å; Y263-I267 VanDerWaalsContact O-CG1 3.24Å; Y263-I267 WeakPolarHBondContact O-CG1 3.46Å; Y263-I267 PolarHBondContact O-N 2.93Å; G264-I267 PolarHBondContact O-N 2.91Å; I267-S269 VanDerWaalsContact C-N 3.33Å; I267-S269 PolarHBondContact O-N 2.9Å; I267-A270 PolarHBondContact O-N 2.91Å; I267-L271 HydrophobicContact CG2-CD1 3.82Å; I267-L271 HydrophobicContact CG2-CG 4.36Å; I267-L271 WeakPolarHBondContact O-CB 3.43Å; I267-L271 WeakPolarHBondContact O-CG 3.49Å; I267-L271 PolarHBondContact O-N 3.43Å; I267-I284 HydrophobicContact CG2-CD1 4.48Å; I267-L289 HydrophobicContact CD1-CD1 3.63Å; I267-L289 HydrophobicContact CD1-CD2 4.15Å; I267-L289 HydrophobicContact CG1-CD1 4.37Å; I267-L289 HydrophobicContact CG1-CD2 3.97Å; I267-I297 HydrophobicContact CG1-CG2 4.31Å; I267-T344 HydrophobicContact CG2-CG2 4.24Å; I267-V347 HydrophobicContact CD1-CG1 4.4Å; I267-M351 HydrophobicContact CD1-CE 4.18Å
268	V	98.8	Very high	97.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-60	-43	177.9	169.6	0	0	0	0	111.2	G264 A265 A270 L271 S272 W341 T344 A408 I411 M412 F417 W422	G264-V268 WeakPolarHBondContact O-CB 3.42Å; G264-V268 WeakPolarHBondContact O-CG2 3.35Å; G264-V268 PolarHBondContact O-N 3.24Å; A265-V268 PolarHBondContact O-N 3.39Å; V268-A270 PolarHBondContact O-N 3.26Å; V268-L271 PolarHBondContact O-N 2.84Å; V268-S272 WeakPolarHBondContact O-CB 3.42Å; V268-S272 PolarHBondContact O-N 3.45Å; V268-W341 HydrophobicContact CB-CZ3 4.45Å; V268-W341 HydrophobicContact CG1-CH2 4.41Å; V268-W341 HydrophobicContact CG1-CZ3 4.41Å; V268-W341 HydrophobicContact CG2-CZ3 4.12Å; V268-T344 HydrophobicContact CG2-CG2 4.41Å; V268-A408 HydrophobicContact CG1-CB 4.38Å; V268-I411 HydrophobicContact CG1-CB 4.45Å; V268-I411 HydrophobicContact CG1-CG2 4.26Å; V268-I411 HydrophobicContact CG2-CG2 3.75Å; V268-M412 HydrophobicContact CG1-CG 3.92Å; V268-F417 HydrophobicContact CG2-CZ 4.49Å; V268-W422 HydrophobicContact CB-CH2 4.03Å; V268-W422 HydrophobicContact CB-CZ3 4.14Å; V268-W422 HydrophobicContact CG1-CH2 3.77Å; V268-W422 HydrophobicContact CG1-CZ3 3.92Å
269	S	98.7	Very high	97.3	Very high	14 Å²	14	19.9 Å²	19.9	10%	0.098	10%	0.097	C	C	.	.	H	α-helix	trans	-60.1	-45.2	176.1	-176.5	0	0	0	0	111.8	H217 A265 E266 I267 Y273	H217-S269 PolarHBondContact CE1-OG 2.85Å; H217-S269 PolarHBondContact NE2-O 3.25Å; H217-S269 PolarHBondContact NE2-OG 3.03Å; A265-S269 WeakPolarHBondContact O-CB 3.43Å; A265-S269 PolarHBondContact O-N 3.2Å; E266-S269 PolarHBondContact O-N 3Å; I267-S269 VanDerWaalsContact C-N 3.33Å; I267-S269 PolarHBondContact O-N 2.9Å; S269-Y273 PolarHBondContact O-N 3.43Å
270	A	98.5	Very high	97	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-66.5	-42.4	-179.8	0	0	0	0	0	112.6	F219 L220 E266 I267 V268 Y273 L274 I299	F219-A270 HydrophobicContact CB-CB 4.15Å; L220-A270 HydrophobicContact CD2-CB 3.82Å; L220-A270 HydrophobicContact CG-CB 4.3Å; E266-A270 WeakPolarHBondContact O-CB 3.37Å; E266-A270 PolarHBondContact O-N 3.21Å; I267-A270 PolarHBondContact O-N 2.91Å; V268-A270 PolarHBondContact O-N 3.26Å; A270-Y273 WeakPolarHBondContact O-CB 3.08Å; A270-Y273 PolarHBondContact O-N 3.44Å; A270-L274 PolarHBondContact O-N 2.9Å; A270-L274 VanDerWaalsContact O-N 3.09Å; A270-I299 HydrophobicContact CB-CD1 3.6Å; A270-I299 HydrophobicContact CB-CG1 4.41Å
271	L	98.4	Very high	96.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-68.2	-39.5	177.2	-73.1	174.9	0	0	0	112.2	I267 V268 Y273 L274 H275 I284 D340 W341 T344	I267-L271 HydrophobicContact CG2-CD1 3.82Å; I267-L271 HydrophobicContact CG2-CG 4.36Å; I267-L271 WeakPolarHBondContact O-CB 3.43Å; I267-L271 WeakPolarHBondContact O-CG 3.49Å; I267-L271 PolarHBondContact O-N 3.43Å; V268-L271 PolarHBondContact O-N 2.84Å; L271-Y273 VanDerWaalsContact C-N 3.27Å; L271-Y273 PolarHBondContact O-N 2.96Å; L271-L274 HydrophobicContact CD2-CD1 4.39Å; L271-L274 PolarHBondContact O-N 3.39Å; L271-L274 VanDerWaalsContact O-N 3.12Å; L271-H275 WeakPolarHBondContact O-CB 3.15Å; L271-H275 PolarHBondContact O-N 2.88Å; L271-I284 HydrophobicContact CD1-CD1 4.21Å; L271-I284 HydrophobicContact CD1-CG1 4.15Å; L271-I284 HydrophobicContact CD2-CD1 3.99Å; L271-I284 HydrophobicContact CD2-CG1 4.24Å; L271-I284 HydrophobicContact CG-CD1 4.36Å; L271-D340 HydrophobicContact CD1-CB 4.02Å; L271-D340 HydrophobicContact CD2-CB 3.95Å; L271-W341 HydrophobicContact CB-CH2 3.64Å; L271-W341 HydrophobicContact CB-CZ3 3.78Å; L271-W341 HydrophobicContact CD1-CE3 4.04Å; L271-W341 HydrophobicContact CD1-CH2 4.35Å; L271-W341 HydrophobicContact CD1-CZ3 3.64Å; L271-W341 HydrophobicContact CG-CZ3 4.4Å; L271-T344 VanDerWaalsContact CD1-OG1 3.28Å; L271-T344 WeakPolarHBondContact CD1-OG1 3.18Å
272	S	97.9	Very high	96.6	Very high	18 Å²	18	18.2 Å²	18.2	13%	0.126	9%	0.091	C	C	.	.	H	α-helix	trans	-53.6	-48.9	172.4	-166.9	0	0	0	0	110.5	V268 L274 H275 E276 A408	V268-S272 WeakPolarHBondContact O-CB 3.42Å; V268-S272 PolarHBondContact O-N 3.45Å; S272-L274 PolarHBondContact O-N 2.91Å; S272-H275 PolarHBondContact O-N 3.44Å; S272-E276 WeakPolarHBondContact O-CB 3.12Å; S272-E276 VanDerWaalsContact O-CG 3.27Å; S272-E276 WeakPolarHBondContact O-CG 3.13Å; S272-E276 PolarHBondContact O-N 3.31Å; S272-E276 PolarHBondContact OG-OE1 3.47Å; S272-A408 VanDerWaalsContact CB-CB 3.48Å; S272-A408 WeakPolarHBondContact OG-CB 3.42Å
273	Y	97.7	Very high	96.4	Very high	41 Å²	41	18.1 Å²	18.1	16%	0.161	9%	0.091	C	C	.	.	H	α-helix	trans	-60.2	-43.6	177.3	171.9	-94.8	0	0	0	112.5	T215 K216 H217 L220 S269 A270 L271 E276 N277	T215-Y273 HydrophobicContact CG2-CE1 4.09Å; K216-Y273 PolarHBondContact N-OH 3.27Å; H217-Y273 HydrophobicContact CB-CD1 3.8Å; H217-Y273 HydrophobicContact CB-CE1 4.09Å; H217-Y273 HydrophobicContact CB-CG 4.11Å; H217-Y273 VanDerWaalsContact CD2-CB 3.46Å; H217-Y273 WeakPolarHBondContact CD2-CB 3.44Å; H217-Y273 AromaticContact CD2-CG 3.63Å; L220-Y273 HydrophobicContact CD1-CD1 3.82Å; L220-Y273 HydrophobicContact CD1-CE1 4.05Å; S269-Y273 PolarHBondContact O-N 3.43Å; A270-Y273 WeakPolarHBondContact O-CB 3.08Å; A270-Y273 PolarHBondContact O-N 3.44Å; L271-Y273 VanDerWaalsContact C-N 3.27Å; L271-Y273 PolarHBondContact O-N 2.96Å; Y273-E276 PolarHBondContact O-N 2.85Å; Y273-N277 WeakPolarHBondContact CE2-ND2 3.33Å; Y273-N277 PolarHBondContact O-N 2.97Å; Y273-N277 VanDerWaalsContact O-N 3.13Å; Y273-N277 PolarHBondContact O-ND2 3.14Å
274	L	96.4	Very high	96.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-63.2	-46	176.8	-70.3	178.3	0	0	0	111.6	T215 L220 A270 L271 S272 E276 N277 N278 I279 Y281 F302	T215-L274 HydrophobicContact CG2-CD2 3.61Å; L220-L274 HydrophobicContact CD1-CD1 4.48Å; L220-L274 HydrophobicContact CD1-CD2 3.71Å; L220-L274 HydrophobicContact CD1-CG 4.02Å; L220-L274 HydrophobicContact CD2-CD1 4.25Å; A270-L274 PolarHBondContact O-N 2.9Å; A270-L274 VanDerWaalsContact O-N 3.09Å; L271-L274 HydrophobicContact CD2-CD1 4.39Å; L271-L274 PolarHBondContact O-N 3.39Å; L271-L274 VanDerWaalsContact O-N 3.12Å; S272-L274 PolarHBondContact O-N 2.91Å; L274-E276 VanDerWaalsContact C-N 3.35Å; L274-E276 PolarHBondContact O-N 3.26Å; L274-N277 CarbonylContact O-C 3.52Å; L274-N277 VanDerWaalsContact O-C 3.3Å; L274-N277 WeakPolarHBondContact O-CA 3.31Å; L274-N277 PolarHBondContact O-N 3.1Å; L274-N278 PolarHBondContact O-N 3.17Å; L274-I279 CarbonylContact C-O 3.41Å; L274-I279 HydrophobicContact CB-CB 4.24Å; L274-I279 HydrophobicContact CB-CG2 4.49Å; L274-I279 WeakPolarHBondContact CB-O 3.5Å; L274-I279 HydrophobicContact CD2-CB 4.31Å; L274-I279 HydrophobicContact CD2-CD1 4.34Å; L274-I279 HydrophobicContact CD2-CG2 4.18Å; L274-I279 PolarHBondContact O-N 3.49Å; L274-Y281 HydrophobicContact CD1-CD2 4.22Å; L274-Y281 HydrophobicContact CD1-CG 4.47Å; L274-F302 HydrophobicContact CD1-CE1 4.41Å
275	H	96.4	Very high	96.1	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.009	10%	0.098	C	C	.	.	H	α-helix	trans	-63.5	-38.3	178.5	-70.2	-177.4	0	0	0	112.4	L271 S272 N277 N278 I279 R337 D340 W341 D407	L271-H275 WeakPolarHBondContact O-CB 3.15Å; L271-H275 PolarHBondContact O-N 2.88Å; S272-H275 PolarHBondContact O-N 3.44Å; H275-N277 PolarHBondContact O-N 3.12Å; H275-N278 WeakPolarHBondContact O-CA 3.47Å; H275-N278 PolarHBondContact O-N 3.41Å; H275-I279 PolarHBondContact CD2-O 2.99Å; H275-I279 PolarHBondContact N-O 2.95Å; H275-R337 PolarHBondContact CE1-O 3.12Å; H275-R337 PolarHBondContact O-NH2 3.43Å; H275-D340 IonicContact CD2-OD2 2.65Å; H275-D340 IonicContact NE2-OD2 3.56Å; H275-D340 PolarHBondContact NE2-OD2 3.43Å; H275-D340 VanDerWaalsContact NE2-OD2 3.08Å; H275-W341 AromaticContact CE1-CE2 3.68Å; H275-W341 AromaticContact CE1-CZ2 3.63Å; H275-W341 AromaticContact CE1-NE1 3.79Å; H275-W341 AromaticContact ND1-CE2 3.95Å; H275-W341 AromaticContact ND1-CZ2 3.58Å; H275-D407 IonicContact CE1-OD1 2.69Å; H275-D407 IonicContact CG-OD1 3.1Å; H275-D407 IonicContact ND1-OD1 3.99Å; H275-D407 PolarHBondContact ND1-OD1 3.36Å; H275-D407 IonicContact ND1-OD2 2.82Å; H275-D407 PolarHBondContact ND1-OD2 2.91Å
276	E	95.4	Very high	96	Very high	135 Å²	135	19.7 Å²	19.7	63%	0.631	10%	0.098	S	C	*	.	H	α-helix	trans	-62.3	-30.1	172.4	-75.6	166.5	-151.5	0	0	112.2	S272 Y273 L274 N278	S272-E276 WeakPolarHBondContact O-CB 3.12Å; S272-E276 VanDerWaalsContact O-CG 3.27Å; S272-E276 WeakPolarHBondContact O-CG 3.13Å; S272-E276 PolarHBondContact O-N 3.31Å; S272-E276 PolarHBondContact OG-OE1 3.47Å; Y273-E276 PolarHBondContact O-N 2.85Å; L274-E276 VanDerWaalsContact C-N 3.35Å; L274-E276 PolarHBondContact O-N 3.26Å; E276-N278 VanDerWaalsContact C-N 3.28Å
277	N	93.2	Very high	95.7	Very high	74 Å²	74	22.8 Å²	22.8	40%	0.396	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	13.2	172.4	-72.3	-86.5	0	0	0	113.1	Y273 L274 H275 I279	Y273-N277 WeakPolarHBondContact CE2-ND2 3.33Å; Y273-N277 PolarHBondContact O-N 2.97Å; Y273-N277 VanDerWaalsContact O-N 3.13Å; Y273-N277 PolarHBondContact O-ND2 3.14Å; L274-N277 CarbonylContact O-C 3.52Å; L274-N277 VanDerWaalsContact O-C 3.3Å; L274-N277 WeakPolarHBondContact O-CA 3.31Å; L274-N277 PolarHBondContact O-N 3.1Å; H275-N277 PolarHBondContact O-N 3.12Å; N277-I279 VanDerWaalsContact C-N 3.27Å; N277-I279 HydrophobicContact CB-CD1 4.19Å; N277-I279 PolarHBondContact O-N 2.91Å
278	N	91.6	Very high	95.5	Very high	59 Å²	59	23.3 Å²	23.3	32%	0.316	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	34.1	-178.4	-55.8	-46.7	0	0	0	114.1	L274 H275 E276 E307 D308 I309 S310 R337	L274-N278 PolarHBondContact O-N 3.17Å; H275-N278 WeakPolarHBondContact O-CA 3.47Å; H275-N278 PolarHBondContact O-N 3.41Å; E276-N278 VanDerWaalsContact C-N 3.28Å; N278-E307 CarbonylContact O-C 3.55Å; N278-D308 PolarHBondContact O-N 3.36Å; N278-I309 PolarHBondContact O-N 3.46Å; N278-S310 WeakPolarHBondContact OD1-CA 3.33Å; N278-R337 PolarHBondContact OD1-NH2 3.03Å
279	I	91.4	Very high	95.4	Very high	6 Å²	6	23.4 Å²	23.4	3%	0.031	12%	0.115	C	C	.	.			trans	-113	125.1	177.7	-61.5	165.1	0	0	0	108.5	V211 T215 L274 H275 N277 C305 K306 E307	V211-I279 HydrophobicContact CG1-CD1 4.27Å; V211-I279 HydrophobicContact CG1-CG2 4.44Å; V211-I279 HydrophobicContact CG2-CD1 4.3Å; V211-I279 HydrophobicContact CG2-CG2 4.38Å; T215-I279 HydrophobicContact CG2-CD1 3.91Å; L274-I279 CarbonylContact C-O 3.41Å; L274-I279 HydrophobicContact CB-CB 4.24Å; L274-I279 HydrophobicContact CB-CG2 4.49Å; L274-I279 WeakPolarHBondContact CB-O 3.5Å; L274-I279 HydrophobicContact CD2-CB 4.31Å; L274-I279 HydrophobicContact CD2-CD1 4.34Å; L274-I279 HydrophobicContact CD2-CG2 4.18Å; L274-I279 PolarHBondContact O-N 3.49Å; H275-I279 PolarHBondContact CD2-O 2.99Å; H275-I279 PolarHBondContact N-O 2.95Å; N277-I279 VanDerWaalsContact C-N 3.27Å; N277-I279 HydrophobicContact CB-CD1 4.19Å; N277-I279 PolarHBondContact O-N 2.91Å; I279-C305 HydrophobicContact CG2-CB 4.04Å; I279-K306 WeakPolarHBondContact CA-O 3.25Å; I279-E307 HydrophobicContact CG1-CG 4.32Å
280	V	92.9	Very high	95.3	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.012	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-99.7	132.5	168.1	-171.9	0	0	0	0	108.3	R282 C305 K306 I309 R337 V339 D340	V280-R282 HydrophobicContact CB-CG 4.09Å; V280-R282 HydrophobicContact CG1-CG 3.55Å; V280-C305 CarbonylContact O-C 3.48Å; V280-C305 VanDerWaalsContact O-CA 3.3Å; V280-C305 WeakPolarHBondContact O-CA 3.43Å; V280-K306 PolarHBondContact N-O 3.35Å; V280-K306 PolarHBondContact O-N 2.85Å; V280-I309 HydrophobicContact CG2-CB 3.81Å; V280-I309 HydrophobicContact CG2-CG1 4.35Å; V280-I309 HydrophobicContact CG2-CG2 3.68Å; V280-R337 HydrophobicContact CG2-CB 4.43Å; V280-R337 HydrophobicContact CG2-CG 3.75Å; V280-V339 HydrophobicContact CG1-CG2 3.66Å; V280-D340 VanDerWaalsContact CG1-OD2 3.3Å; V280-D340 WeakPolarHBondContact CG1-OD2 3.37Å
281	Y	95.1	Very high	95.2	Very high	1 Å²	1	24.2 Å²	24.2	0%	0.004	12%	0.118	C	C	.	.			trans	-80.6	-43.7	-173	-179.3	-101.4	0	0	0	113.2	L274 D283 I284 N288 I299 A300 D301 F302 L304 D340	L274-Y281 HydrophobicContact CD1-CD2 4.22Å; L274-Y281 HydrophobicContact CD1-CG 4.47Å; Y281-D283 VanDerWaalsContact C-N 3.25Å; Y281-D283 HydrophobicContact CE1-CB 4.29Å; Y281-D283 VanDerWaalsContact CE1-O 3.31Å; Y281-D283 WeakPolarHBondContact CE1-O 3.3Å; Y281-D283 PolarHBondContact O-N 3.19Å; Y281-D283 VanDerWaalsContact O-N 3.16Å; Y281-I284 HydrophobicContact CD1-CB 4.44Å; Y281-I284 HydrophobicContact CD1-CD1 3.37Å; Y281-I284 HydrophobicContact CD1-CG1 3.6Å; Y281-I284 HydrophobicContact CE1-CD1 3.53Å; Y281-I284 HydrophobicContact CE1-CG1 4.03Å; Y281-I284 HydrophobicContact CG-CD1 4.26Å; Y281-N288 VanDerWaalsContact OH-CB 3.3Å; Y281-N288 WeakPolarHBondContact OH-CB 3.3Å; Y281-N288 PolarHBondContact OH-ND2 2.87Å; Y281-I299 HydrophobicContact CD2-CG2 4.34Å; Y281-I299 HydrophobicContact CE1-CG2 4.08Å; Y281-I299 HydrophobicContact CE2-CG2 3.66Å; Y281-A300 PolarHBondContact OH-O 3.41Å; Y281-D301 WeakPolarHBondContact CE2-O 3.21Å; Y281-D301 PolarHBondContact OH-O 2.93Å; Y281-F302 HydrophobicContact CD2-CD1 4.02Å; Y281-F302 HydrophobicContact CD2-CE1 4.24Å; Y281-F302 AromaticContact CE2-CD1 3.98Å; Y281-F302 HydrophobicContact CE2-CD1 3.98Å; Y281-F302 HydrophobicContact CE2-CE1 4.18Å; Y281-F302 HydrophobicContact CE2-CG 4.43Å; Y281-L304 CarbonylContact O-C 3.59Å; Y281-D340 PolarHBondContact N-OD2 3.38Å
282	R	93.6	Very high	95.1	Very high	21 Å²	21	24.8 Å²	24.8	8%	0.079	12%	0.122	C	C	.	.			trans	66.7	-1.5	171.2	-51.6	-171	-65.2	171.8	0.9	118.2	V280 L304 C305 Y335 V339 D340	V280-R282 HydrophobicContact CB-CG 4.09Å; V280-R282 HydrophobicContact CG1-CG 3.55Å; R282-L304 PolarHBondContact NE-O 2.95Å; R282-L304 PolarHBondContact NH2-O 3.25Å; R282-C305 PolarHBondContact NH2-O 2.88Å; R282-Y335 WeakPolarHBondContact CD-OH 3.44Å; R282-Y335 HydrophobicContact CG-CE2 4.29Å; R282-Y335 PolarHBondContact NH1-OH 3.48Å; R282-V339 HydrophobicContact CG-CG2 4.14Å; R282-D340 WeakPolarHBondContact CA-OD1 3.26Å; R282-D340 PolarHBondContact N-OD1 2.99Å
283	D	93.5	Very high	94.8	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.043	13%	0.126	C	C	.	.			trans	-135.2	39.6	178.6	-159.7	39.4	0	0	0	113	Y281 K285 N288 L304 T321	Y281-D283 VanDerWaalsContact C-N 3.25Å; Y281-D283 HydrophobicContact CE1-CB 4.29Å; Y281-D283 VanDerWaalsContact CE1-O 3.31Å; Y281-D283 WeakPolarHBondContact CE1-O 3.3Å; Y281-D283 PolarHBondContact O-N 3.19Å; Y281-D283 VanDerWaalsContact O-N 3.16Å; D283-K285 PolarHBondContact O-N 3.06Å; D283-K285 VanDerWaalsContact O-N 3.13Å; D283-K285 IonicContact OD1-NZ 2.82Å; D283-K285 PolarHBondContact OD1-NZ 3.5Å; D283-K285 WeakPolarHBondContact OD2-CE 3.48Å; D283-K285 IonicContact OD2-NZ 3.58Å; D283-K285 PolarHBondContact OD2-NZ 3.46Å; D283-N288 PolarHBondContact O-ND2 3.44Å; D283-N288 PolarHBondContact OD2-ND2 3.3Å; D283-L304 HydrophobicContact CB-CB 4.15Å; D283-L304 HydrophobicContact CB-CD1 3.82Å; D283-L304 HydrophobicContact CB-CG 4.46Å; D283-T321 PolarHBondContact OD1-N 3.31Å; D283-T321 PolarHBondContact OD1-OG1 3.19Å
284	I	96.9	Very high	94.7	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	14%	0.135	C	C	.	.			trans	-64.4	114.3	174	-67.4	-62	0	0	0	109.5	I267 L271 Y281 I299 Y324 V347	I267-I284 HydrophobicContact CG2-CD1 4.48Å; L271-I284 HydrophobicContact CD1-CD1 4.21Å; L271-I284 HydrophobicContact CD1-CG1 4.15Å; L271-I284 HydrophobicContact CD2-CD1 3.99Å; L271-I284 HydrophobicContact CD2-CG1 4.24Å; L271-I284 HydrophobicContact CG-CD1 4.36Å; Y281-I284 HydrophobicContact CD1-CB 4.44Å; Y281-I284 HydrophobicContact CD1-CD1 3.37Å; Y281-I284 HydrophobicContact CD1-CG1 3.6Å; Y281-I284 HydrophobicContact CE1-CD1 3.53Å; Y281-I284 HydrophobicContact CE1-CG1 4.03Å; Y281-I284 HydrophobicContact CG-CD1 4.26Å; I284-I299 HydrophobicContact CD1-CD1 4.29Å; I284-Y324 WeakPolarHBondContact O-CD1 3.41Å; I284-V347 HydrophobicContact CG2-CB 4.43Å; I284-V347 HydrophobicContact CG2-CG2 3.63Å
285	K	95.7	Very high	94.7	Very high	29 Å²	29	27.9 Å²	27.9	13%	0.126	14%	0.135	C	C	.	.			trans	-156.2	164.1	177.2	66.9	-168.3	-172.9	-150.8	0	110.5	D283 E287 N288 L289 T321 Y324	D283-K285 PolarHBondContact O-N 3.06Å; D283-K285 VanDerWaalsContact O-N 3.13Å; D283-K285 IonicContact OD1-NZ 2.82Å; D283-K285 PolarHBondContact OD1-NZ 3.5Å; D283-K285 WeakPolarHBondContact OD2-CE 3.48Å; D283-K285 IonicContact OD2-NZ 3.58Å; D283-K285 PolarHBondContact OD2-NZ 3.46Å; K285-E287 VanDerWaalsContact C-N 3.25Å; K285-E287 WeakPolarHBondContact CB-OE2 3.46Å; K285-E287 HydrophobicContact CG-CB 4.32Å; K285-E287 VanDerWaalsContact CG-OE2 3.29Å; K285-E287 WeakPolarHBondContact CG-OE2 3.39Å; K285-E287 PolarHBondContact O-N 2.76Å; K285-N288 WeakPolarHBondContact CE-ND2 3.31Å; K285-N288 VanDerWaalsContact CE-OD1 3.29Å; K285-N288 WeakPolarHBondContact CE-OD1 3.38Å; K285-N288 HydrophobicContact CG-CB 4.1Å; K285-N288 PolarHBondContact O-N 2.95Å; K285-L289 WeakPolarHBondContact O-CG 3.25Å; K285-T321 HydrophobicContact CD-CG2 4.39Å; K285-T321 WeakPolarHBondContact CD-OG1 3.4Å; K285-T321 PolarHBondContact NZ-OG1 2.73Å; K285-Y324 HydrophobicContact CB-CD1 3.9Å; K285-Y324 HydrophobicContact CB-CD2 3.73Å; K285-Y324 HydrophobicContact CB-CE1 3.91Å; K285-Y324 HydrophobicContact CB-CE2 3.69Å; K285-Y324 HydrophobicContact CB-CG 3.83Å
286	L	95.7	Very high	94.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-64.8	-29.1	-173.9	-73.3	173.5	0	0	0	113.5	L245 F246 L249 N288 L289 V347 E350 M351	L245-L286 HydrophobicContact CD2-CD2 4.05Å; L245-L286 HydrophobicContact CG-CD2 4.28Å; F246-L286 HydrophobicContact CB-CB 3.84Å; F246-L286 HydrophobicContact CD2-CB 4.02Å; F246-L286 HydrophobicContact CD2-CD1 4.12Å; F246-L286 HydrophobicContact CG-CB 4.43Å; F246-L286 PolarHBondContact N-O 3.36Å; L249-L286 HydrophobicContact CD2-CD1 3.46Å; L249-L286 VanDerWaalsContact CD2-CD1 3.46Å; L249-L286 HydrophobicContact CD2-CD2 4.48Å; L286-N288 VanDerWaalsContact C-N 3.31Å; L286-L289 PolarHBondContact O-N 2.76Å; L286-V347 HydrophobicContact CD2-CG1 3.71Å; L286-V347 HydrophobicContact CG-CG1 4.35Å; L286-E350 HydrophobicContact CD1-CB 4.34Å; L286-E350 HydrophobicContact CD1-CG 3.82Å; L286-E350 WeakPolarHBondContact CD1-OE2 3.34Å; L286-M351 HydrophobicContact CD2-CE 4.25Å; L286-M351 HydrophobicContact CD2-CG 4.28Å
287	E	92.2	Very high	94.9	Very high	64 Å²	64	21.7 Å²	21.7	30%	0.299	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-71.4	-26.3	179.5	-56.3	93.5	143.3	0	0	112.2	F246 K285	F246-E287 HydrophobicContact CB-CG 4.44Å; F246-E287 HydrophobicContact CG-CG 4.35Å; K285-E287 VanDerWaalsContact C-N 3.25Å; K285-E287 WeakPolarHBondContact CB-OE2 3.46Å; K285-E287 HydrophobicContact CG-CB 4.32Å; K285-E287 VanDerWaalsContact CG-OE2 3.29Å; K285-E287 WeakPolarHBondContact CG-OE2 3.39Å; K285-E287 PolarHBondContact O-N 2.76Å
288	N	94.8	Very high	95.1	Very high	12 Å²	12	18.6 Å²	18.6	6%	0.064	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-91	-0.7	177.2	-70.8	-5	0	0	0	113	Y281 D283 K285 L286 A300	Y281-N288 VanDerWaalsContact OH-CB 3.3Å; Y281-N288 WeakPolarHBondContact OH-CB 3.3Å; Y281-N288 PolarHBondContact OH-ND2 2.87Å; D283-N288 PolarHBondContact O-ND2 3.44Å; D283-N288 PolarHBondContact OD2-ND2 3.3Å; K285-N288 WeakPolarHBondContact CE-ND2 3.31Å; K285-N288 VanDerWaalsContact CE-OD1 3.29Å; K285-N288 WeakPolarHBondContact CE-OD1 3.38Å; K285-N288 HydrophobicContact CG-CB 4.1Å; K285-N288 PolarHBondContact O-N 2.95Å; L286-N288 VanDerWaalsContact C-N 3.31Å; N288-A300 PolarHBondContact O-N 3.37Å
289	L	97.6	Very high	95.4	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	110.5	177.8	-63	173.8	0	0	0	108.7	L245 I267 K285 L286 I297 I299 V347 M351	L245-L289 HydrophobicContact CB-CB 3.98Å; L245-L289 VanDerWaalsContact CB-O 3.24Å; L245-L289 WeakPolarHBondContact CB-O 3.24Å; L245-L289 HydrophobicContact CD2-CB 4.16Å; L245-L289 HydrophobicContact CD2-CD1 4.09Å; L245-L289 PolarHBondContact N-O 3.14Å; I267-L289 HydrophobicContact CD1-CD1 3.63Å; I267-L289 HydrophobicContact CD1-CD2 4.15Å; I267-L289 HydrophobicContact CG1-CD1 4.37Å; I267-L289 HydrophobicContact CG1-CD2 3.97Å; K285-L289 WeakPolarHBondContact O-CG 3.25Å; L286-L289 PolarHBondContact O-N 2.76Å; L289-I297 HydrophobicContact CB-CD1 4.38Å; L289-I297 HydrophobicContact CD2-CG2 4.07Å; L289-I299 HydrophobicContact CD2-CD1 4.39Å; L289-I299 HydrophobicContact CD2-CG1 3.8Å; L289-V347 HydrophobicContact CD1-CG1 3.57Å; L289-V347 HydrophobicContact CD1-CG2 4.48Å; L289-M351 HydrophobicContact CD1-CE 4.45Å
290	L	96.6	Very high	95.5	Very high	31 Å²	31	16.4 Å²	16.4	16%	0.162	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	164.6	177	-51.1	-179	0	0	0	110.7	A240 G243 E244 I297 K298 A300	A240-L290 HydrophobicContact CB-CB 3.68Å; A240-L290 HydrophobicContact CB-CD1 3.91Å; A240-L290 HydrophobicContact CB-CG 4.46Å; G243-L290 CarbonylContact O-C 3.41Å; G243-L290 VanDerWaalsContact O-CA 3.26Å; G243-L290 WeakPolarHBondContact O-CA 3.23Å; E244-L290 HydrophobicContact CB-CD2 4.19Å; E244-L290 HydrophobicContact CG-CD2 3.56Å; L290-I297 CarbonylContact O-C 3.59Å; L290-I297 WeakPolarHBondContact O-CA 3.3Å; L290-K298 HydrophobicContact CB-CB 4.25Å; L290-K298 PolarHBondContact N-O 2.78Å; L290-K298 PolarHBondContact O-N 3.47Å; L290-A300 HydrophobicContact CD1-CB 3.95Å; L290-A300 HydrophobicContact CG-CB 4.22Å
291	L	96.9	Very high	95.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	135.5	168.4	-63.7	-177.5	0	0	0	110.9	A240 G242 G243 L245 Y263 H296 I297 F434 P436	A240-L291 CarbonylContact C-O 3.59Å; A240-L291 WeakPolarHBondContact CB-O 3.48Å; G242-L291 WeakPolarHBondContact CA-O 3.28Å; G242-L291 PolarHBondContact N-O 3.26Å; G243-L291 PolarHBondContact O-N 3.09Å; L245-L291 HydrophobicContact CD1-CD1 4.14Å; L245-L291 HydrophobicContact CD1-CD2 4.17Å; L245-L291 HydrophobicContact CD1-CG 4.22Å; Y263-L291 HydrophobicContact CD1-CD2 4.41Å; Y263-L291 HydrophobicContact CE1-CD2 3.79Å; L291-H296 WeakPolarHBondContact CA-O 3.48Å; L291-I297 HydrophobicContact CD2-CD1 3.91Å; L291-I297 HydrophobicContact CD2-CG1 4.49Å; L291-F434 HydrophobicContact CD1-CD1 3.87Å; L291-F434 HydrophobicContact CD1-CE1 3.96Å; L291-P436 HydrophobicContact CB-CG 4.25Å; L291-P436 HydrophobicContact CD1-CG 4.49Å
292	D	94.8	Very high	94.6	Very high	13 Å²	13	19.3 Å²	19.3	7%	0.07	10%	0.095	C	C	.	.			trans	-77.6	-178.7	167.7	80.1	4.7	0	0	0	111.9	D294 G295 H296 K298 R428	D292-D294 PolarHBondContact O-N 2.95Å; D292-D294 PolarHBondContact OD1-N 3.5Å; D292-G295 PolarHBondContact O-N 3.12Å; D292-G295 VanDerWaalsContact O-N 3.12Å; D292-G295 PolarHBondContact OD1-N 2.93Å; D292-H296 PolarHBondContact N-O 3.44Å; D292-H296 IonicContact OD1-CD2 3.52Å; D292-H296 PolarHBondContact OD1-N 3.35Å; D292-K298 HydrophobicContact CB-CG 4.18Å; D292-R428 IonicContact OD1-NH2 2.79Å; D292-R428 IonicContact OD2-CZ 2.88Å; D292-R428 IonicContact OD2-NH1 3.5Å; D292-R428 PolarHBondContact OD2-NH1 2.98Å; D292-R428 VanDerWaalsContact OD2-NH1 3.1Å; D292-R428 IonicContact OD2-NH2 2.82Å; D292-R428 PolarHBondContact OD2-NH2 2.82Å
293	R	92.9	Very high	94	Very high	57 Å²	57	18.7 Å²	18.7	22%	0.215	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.6	-177.8	-171	175.7	-164.6	-169.8	2.7	113.9	C241 V438 R494	C241-R293 VanDerWaalsContact SG-CA 3.59Å; R293-V438 HydrophobicContact CG-CG2 4.16Å; R293-R494 PolarHBondContact NH1-O 2.97Å
294	D	94.8	Very high	93.4	Very high	66 Å²	66	20.1 Å²	20.1	35%	0.353	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-13.7	-178	-67.9	-49	0	0	0	111.8	D292 R428 P432 K435	D292-D294 PolarHBondContact O-N 2.95Å; D292-D294 PolarHBondContact OD1-N 3.5Å; D294-R428 IonicContact OD2-NH2 2.77Å; D294-P432 WeakPolarHBondContact O-CB 3.35Å; D294-P432 VanDerWaalsContact O-CG 3.28Å; D294-P432 WeakPolarHBondContact O-CG 3.34Å; D294-K435 IonicContact OD1-NZ 3.65Å; D294-K435 PolarHBondContact OD1-NZ 2.72Å
295	G	96.5	Very high	92.8	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.103	C	C	.	.	S	Bend	trans	100.7	15.8	178.6	0	0	0	0	0	114.1	D292 F434	D292-G295 PolarHBondContact O-N 3.12Å; D292-G295 VanDerWaalsContact O-N 3.12Å; D292-G295 PolarHBondContact OD1-N 2.93Å; G295-F434 WeakPolarHBondContact CA-O 3.24Å
296	H	98.4	Very high	92.2	Very high	8 Å²	8	22.3 Å²	22.3	4%	0.037	11%	0.113	C	C	.	.			trans	-85.4	150.1	173.3	-65.5	-86.9	0	0	0	111.4	F219 F262 E266 L291 D292 R428 P432	F219-H296 HydrophobicContact CD1-CB 4.38Å; F219-H296 HydrophobicContact CE1-CB 4.25Å; F219-H296 AromaticContact CE1-ND1 3.91Å; F262-H296 AromaticContact CZ-CE1 3.94Å; F262-H296 AromaticContact CZ-ND1 3.67Å; E266-H296 IonicContact OE1-CE1 2.71Å; E266-H296 IonicContact OE1-CG 2.7Å; E266-H296 IonicContact OE1-ND1 2.77Å; E266-H296 PolarHBondContact OE1-ND1 3.47Å; L291-H296 WeakPolarHBondContact CA-O 3.48Å; D292-H296 PolarHBondContact N-O 3.44Å; D292-H296 IonicContact OD1-CD2 3.52Å; D292-H296 PolarHBondContact OD1-N 3.35Å; H296-R428 PolarHBondContact CD2-NH2 3.48Å; H296-P432 WeakPolarHBondContact NE2-CG 3.46Å
297	I	98.5	Very high	91.7	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	139	176.9	-68.8	-72.2	0	0	0	111	F219 L245 Y263 E266 I267 L289 L290 L291 I299	F219-I297 VanDerWaalsContact CA-O 3.23Å; F219-I297 WeakPolarHBondContact CA-O 3.4Å; F219-I297 WeakPolarHBondContact CB-O 3.3Å; L245-I297 HydrophobicContact CD2-CD1 3.89Å; Y263-I297 HydrophobicContact CD1-CD1 3.87Å; Y263-I297 HydrophobicContact CD1-CG1 3.74Å; Y263-I297 HydrophobicContact CG-CD1 4.09Å; Y263-I297 HydrophobicContact CG-CG1 4.23Å; E266-I297 HydrophobicContact CB-CB 4.02Å; E266-I297 HydrophobicContact CB-CG1 4.17Å; E266-I297 VanDerWaalsContact OE2-CB 3.31Å; E266-I297 WeakPolarHBondContact OE2-CB 3.35Å; E266-I297 VanDerWaalsContact OE2-CG1 3.26Å; E266-I297 WeakPolarHBondContact OE2-CG1 3.46Å; E266-I297 PolarHBondContact OE2-N 3.28Å; I267-I297 HydrophobicContact CG1-CG2 4.31Å; L289-I297 HydrophobicContact CB-CD1 4.38Å; L289-I297 HydrophobicContact CD2-CG2 4.07Å; L290-I297 CarbonylContact O-C 3.59Å; L290-I297 WeakPolarHBondContact O-CA 3.3Å; L291-I297 HydrophobicContact CD2-CD1 3.91Å; L291-I297 HydrophobicContact CD2-CG1 4.49Å; I297-I299 HydrophobicContact CG2-CG1 3.99Å
298	K	97.8	Very high	91.3	Very high	9 Å²	9	26.2 Å²	26.2	4%	0.039	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	108.4	163.1	-69.2	-66.1	-172.4	165.5	0	108.7	P218 F219 E238 A240 L290 D292 A300	P218-K298 WeakPolarHBondContact O-CE 3.43Å; P218-K298 PolarHBondContact O-NZ 3.26Å; F219-K298 WeakPolarHBondContact O-CA 3.33Å; E238-K298 WeakPolarHBondContact OE1-CE 3.42Å; E238-K298 IonicContact OE1-NZ 3.45Å; E238-K298 PolarHBondContact OE1-NZ 3.3Å; E238-K298 IonicContact OE2-NZ 2.67Å; E238-K298 PolarHBondContact OE2-NZ 3.48Å; A240-K298 HydrophobicContact CB-CB 4.19Å; A240-K298 HydrophobicContact CB-CG 4.24Å; L290-K298 HydrophobicContact CB-CB 4.25Å; L290-K298 PolarHBondContact N-O 2.78Å; L290-K298 PolarHBondContact O-N 3.47Å; D292-K298 HydrophobicContact CB-CG 4.18Å; K298-A300 PolarHBondContact O-N 3.08Å
299	I	97.6	Very high	90.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	125.3	171.1	-51.2	-173.4	0	0	0	108	F219 L220 T221 A270 Y281 I284 L289 I297	F219-I299 PolarHBondContact O-N 2.76Å; L220-I299 HydrophobicContact CD2-CB 3.83Å; L220-I299 HydrophobicContact CD2-CD1 4.06Å; L220-I299 HydrophobicContact CD2-CG1 4.2Å; L220-I299 HydrophobicContact CD2-CG2 4.48Å; T221-I299 WeakPolarHBondContact CB-O 3.41Å; T221-I299 PolarHBondContact N-O 2.86Å; T221-I299 PolarHBondContact OG1-O 2.76Å; A270-I299 HydrophobicContact CB-CD1 3.6Å; A270-I299 HydrophobicContact CB-CG1 4.41Å; Y281-I299 HydrophobicContact CD2-CG2 4.34Å; Y281-I299 HydrophobicContact CE1-CG2 4.08Å; Y281-I299 HydrophobicContact CE2-CG2 3.66Å; I284-I299 HydrophobicContact CD1-CD1 4.29Å; L289-I299 HydrophobicContact CD2-CD1 4.39Å; L289-I299 HydrophobicContact CD2-CG1 3.8Å; I297-I299 HydrophobicContact CG2-CG1 3.99Å
300	A	92.4	Very high	89.7	Confident	19 Å²	19	27.8 Å²	27.8	16%	0.157	15%	0.147	C	C	.	.			trans	-111.8	-179.4	-179.9	0	0	0	0	0	111.4	Y281 N288 L290 K298	Y281-A300 PolarHBondContact OH-O 3.41Å; N288-A300 PolarHBondContact O-N 3.37Å; L290-A300 HydrophobicContact CD1-CB 3.95Å; L290-A300 HydrophobicContact CG-CB 4.22Å; K298-A300 PolarHBondContact O-N 3.08Å
301	D	86	Confident	89	Confident	61 Å²	61	31.6 Å²	31.6	33%	0.326	16%	0.162	S	C	.	.			trans	51.2	85.4	173.7	-156.5	11.5	0	0	0	116	K189 Y281 G303	K189-D301 IonicContact NZ-OD1 3.33Å; K189-D301 PolarHBondContact NZ-OD1 2.85Å; Y281-D301 WeakPolarHBondContact CE2-O 3.21Å; Y281-D301 PolarHBondContact OH-O 2.93Å; D301-G303 VanDerWaalsContact C-N 3.29Å; D301-G303 PolarHBondContact O-N 2.85Å
302	F	84.6	Confident	88.1	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.009	19%	0.191	C	C	.	.			trans	-92.8	14.8	-179.9	-60.2	-97.7	0	0	0	112.5	E208 V211 L212 L220 L274 Y281 L304 C305	E208-F302 HydrophobicContact CG-CB 4.18Å; V211-F302 HydrophobicContact CB-CB 4.47Å; V211-F302 HydrophobicContact CG1-CB 4.07Å; V211-F302 HydrophobicContact CG1-CD1 3.68Å; V211-F302 HydrophobicContact CG1-CE1 4.46Å; V211-F302 HydrophobicContact CG1-CG 4.08Å; L212-F302 HydrophobicContact CD2-CD2 3.43Å; L212-F302 VanDerWaalsContact CD2-CD2 3.43Å; L212-F302 HydrophobicContact CD2-CE2 3.57Å; L212-F302 HydrophobicContact CD2-CG 4.3Å; L212-F302 HydrophobicContact CG-CD2 3.9Å; L212-F302 HydrophobicContact CG-CG 4.42Å; L220-F302 HydrophobicContact CB-CZ 4.08Å; L220-F302 HydrophobicContact CD1-CE1 4.42Å; L220-F302 HydrophobicContact CD2-CE1 3.98Å; L220-F302 HydrophobicContact CD2-CZ 3.91Å; L220-F302 HydrophobicContact CG-CZ 4.39Å; L274-F302 HydrophobicContact CD1-CE1 4.41Å; Y281-F302 HydrophobicContact CD2-CD1 4.02Å; Y281-F302 HydrophobicContact CD2-CE1 4.24Å; Y281-F302 AromaticContact CE2-CD1 3.98Å; Y281-F302 HydrophobicContact CE2-CD1 3.98Å; Y281-F302 HydrophobicContact CE2-CE1 4.18Å; Y281-F302 HydrophobicContact CE2-CG 4.43Å; F302-L304 PolarHBondContact O-N 3.22Å; F302-C305 WeakPolarHBondContact O-CB 3.33Å; F302-C305 PolarHBondContact O-N 3.04Å; F302-C305 VanDerWaalsContact O-N 3.15Å
303	G	79.6	Confident	87.3	Confident	9 Å²	9	38.2 Å²	38.2	9%	0.093	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-30.9	-178.4	0	0	0	0	0	114.4	H204 D301	H204-G303 WeakPolarHBondContact CB-O 3.47Å; D301-G303 VanDerWaalsContact C-N 3.29Å; D301-G303 PolarHBondContact O-N 2.85Å
304	L	80.9	Confident	86.8	Confident	38 Å²	38	41.1 Å²	41.1	20%	0.199	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	6	-178.4	-61.6	-174.8	0	0	0	113.8	Y281 R282 D283 F302 C319	Y281-L304 CarbonylContact O-C 3.59Å; R282-L304 PolarHBondContact NE-O 2.95Å; R282-L304 PolarHBondContact NH2-O 3.25Å; D283-L304 HydrophobicContact CB-CB 4.15Å; D283-L304 HydrophobicContact CB-CD1 3.82Å; D283-L304 HydrophobicContact CB-CG 4.46Å; F302-L304 PolarHBondContact O-N 3.22Å; L304-C319 HydrophobicContact CD1-CB 4.28Å; L304-C319 HydrophobicContact CD2-CB 3.99Å
305	C	83.9	Confident	86	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.014	21%	0.209	C	C	.	.			trans	-59.7	154.3	176.4	-73.8	0	0	0	0	112.7	T207 V211 I279 V280 R282 F302	T207-C305 HydrophobicContact CG2-CB 4.48Å; V211-C305 HydrophobicContact CG2-CB 3.96Å; I279-C305 HydrophobicContact CG2-CB 4.04Å; V280-C305 CarbonylContact O-C 3.48Å; V280-C305 VanDerWaalsContact O-CA 3.3Å; V280-C305 WeakPolarHBondContact O-CA 3.43Å; R282-C305 PolarHBondContact NH2-O 2.88Å; F302-C305 WeakPolarHBondContact O-CB 3.33Å; F302-C305 PolarHBondContact O-N 3.04Å; F302-C305 VanDerWaalsContact O-N 3.15Å
306	K	84.1	Confident	85.1	Confident	76 Å²	76	42.2 Å²	42.2	33%	0.33	23%	0.225	S	C	.	.	B	Isolated β-bridge	trans	-126.8	116	169.6	-169.4	68.2	179	177.7	0	109.5	I279 V280 I309 T315	I279-K306 WeakPolarHBondContact CA-O 3.25Å; V280-K306 PolarHBondContact N-O 3.35Å; V280-K306 PolarHBondContact O-N 2.85Å; K306-I309 HydrophobicContact CB-CG1 4.2Å; K306-I309 HydrophobicContact CG-CD1 3.94Å; K306-I309 HydrophobicContact CG-CG1 3.61Å; K306-T315 HydrophobicContact CG-CG2 4.37Å
307	E	84.4	Confident	83.9	Confident	19 Å²	19	44.5 Å²	44.5	9%	0.089	24%	0.24	C	C	.	.			trans	-76.9	165	171.4	-61.7	175.8	95.2	0	0	110.9	T207 R210 V211 K214 N278 I279 I309	T207-E307 HydrophobicContact CG2-CG 4.42Å; R210-E307 IonicContact CZ-OE2 2.92Å; R210-E307 VanDerWaalsContact CZ-OE2 3.3Å; R210-E307 IonicContact NE-OE2 3.42Å; R210-E307 PolarHBondContact NE-OE2 2.85Å; R210-E307 IonicContact NH2-OE2 3.27Å; R210-E307 PolarHBondContact NH2-OE2 3.12Å; V211-E307 HydrophobicContact CG2-CG 3.79Å; K214-E307 IonicContact NZ-OE1 3.88Å; K214-E307 PolarHBondContact NZ-OE1 3.37Å; N278-E307 CarbonylContact O-C 3.55Å; I279-E307 HydrophobicContact CG1-CG 4.32Å; E307-I309 PolarHBondContact O-N 3.29Å
308	D	84	Confident	82.9	Confident	127 Å²	127	46.7 Å²	46.7	68%	0.679	25%	0.249	S	C	*	.	S	Bend	trans	59.6	42.2	174.6	-52.4	-45	0	0	0	113.8	N278	N278-D308 PolarHBondContact O-N 3.36Å
309	I	81.6	Confident	82	Confident	8 Å²	8	47 Å²	47	4%	0.041	25%	0.252	C	S	.	.			trans	-117.1	88.6	173.6	-53.8	-65.4	0	0	0	109.5	N278 V280 K306 E307 E313 R337	N278-I309 PolarHBondContact O-N 3.46Å; V280-I309 HydrophobicContact CG2-CB 3.81Å; V280-I309 HydrophobicContact CG2-CG1 4.35Å; V280-I309 HydrophobicContact CG2-CG2 3.68Å; K306-I309 HydrophobicContact CB-CG1 4.2Å; K306-I309 HydrophobicContact CG-CD1 3.94Å; K306-I309 HydrophobicContact CG-CG1 3.61Å; E307-I309 PolarHBondContact O-N 3.29Å; I309-E313 HydrophobicContact CG2-CB 4.29Å; I309-R337 PolarHBondContact O-NE 3.28Å; I309-R337 PolarHBondContact O-NH2 2.79Å; I309-R337 VanDerWaalsContact O-NH2 3.07Å
310	S	78.3	Confident	81.2	Confident	39 Å²	39	48 Å²	48	27%	0.273	26%	0.263	S	S	.	.			trans	-72.9	172.4	170.7	71.5	0	0	0	0	112.4	N278 G312 E313	N278-S310 WeakPolarHBondContact OD1-CA 3.33Å; S310-G312 PolarHBondContact O-N 3.02Å; S310-E313 WeakPolarHBondContact CA-OE2 3.49Å; S310-E313 WeakPolarHBondContact CB-OE2 3.38Å; S310-E313 PolarHBondContact N-OE2 2.85Å; S310-E313 WeakPolarHBondContact O-CB 3.47Å; S310-E313 PolarHBondContact O-N 3.44Å; S310-E313 VanDerWaalsContact O-N 3.09Å; S310-E313 WeakPolarHBondContact OG-CG 3.38Å; S310-E313 PolarHBondContact OG-OE2 3.43Å
311	F	80.8	Confident	80.8	Confident	111 Å²	111	48.6 Å²	48.6	49%	0.487	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	127.6	175.8	172.8	-101.6	0	0	0	110.6	E313 R337 P405	F311-E313 VanDerWaalsContact C-N 3.28Å; F311-E313 PolarHBondContact O-N 3.17Å; F311-R337 VanDerWaalsContact N-CZ 3.34Å; F311-P405 HydrophobicContact CD1-CB 4.4Å; F311-P405 HydrophobicContact CE1-CB 3.96Å; F311-P405 HydrophobicContact CE2-CB 4.26Å; F311-P405 HydrophobicContact CZ-CB 3.88Å
312	G	77.4	Confident	81	Confident	58 Å²	58	47.3 Å²	47.3	60%	0.598	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.4	-19.3	-176.8	0	0	0	0	0	114.6	S310	S310-G312 PolarHBondContact O-N 3.02Å
313	E	78.7	Confident	81.3	Confident	94 Å²	94	49.3 Å²	49.3	44%	0.439	27%	0.269	S	S	.	.			trans	-73.8	152.5	171.3	-70.8	-178.7	142.1	0	0	111.1	I309 S310 F311	I309-E313 HydrophobicContact CG2-CB 4.29Å; S310-E313 WeakPolarHBondContact CA-OE2 3.49Å; S310-E313 WeakPolarHBondContact CB-OE2 3.38Å; S310-E313 PolarHBondContact N-OE2 2.85Å; S310-E313 WeakPolarHBondContact O-CB 3.47Å; S310-E313 PolarHBondContact O-N 3.44Å; S310-E313 VanDerWaalsContact O-N 3.09Å; S310-E313 WeakPolarHBondContact OG-CG 3.38Å; S310-E313 PolarHBondContact OG-OE2 3.43Å; F311-E313 VanDerWaalsContact C-N 3.28Å; F311-E313 PolarHBondContact O-N 3.17Å
314	K	81.6	Confident	82.1	Confident	117 Å²	117	49.7 Å²	49.7	51%	0.509	27%	0.268	S	S	.	.			trans	-139.4	159.7	-171.4	-55.6	-174.7	178.9	-172.9	0	112.2	D334 Y335	K314-D334 HydrophobicContact CB-CB 3.66Å; K314-D334 HydrophobicContact CD-CB 3.38Å; K314-D334 HydrophobicContact CG-CB 4.15Å; K314-Y335 CarbonylContact C-O 3.53Å; K314-Y335 WeakPolarHBondContact CA-O 3.1Å; K314-Y335 WeakPolarHBondContact CB-O 3.17Å
315	T	80	Confident	82.6	Confident	13 Å²	13	48.2 Å²	48.2	8%	0.08	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-130.5	163.1	173.3	-165	0	0	0	0	111	K306 D334 Y335	K306-T315 HydrophobicContact CG-CG2 4.37Å; T315-D334 WeakPolarHBondContact O-CA 3.27Å; T315-Y335 HydrophobicContact CG2-CD2 3.86Å; T315-Y335 HydrophobicContact CG2-CE1 4.01Å; T315-Y335 HydrophobicContact CG2-CE2 3.26Å; T315-Y335 HydrophobicContact CG2-CG 4.45Å; T315-Y335 PolarHBondContact N-O 2.78Å; T315-Y335 WeakPolarHBondContact O-CD1 3.5Å; T315-Y335 PolarHBondContact O-N 2.69Å
316	K	75.7	Confident	83.1	Confident	77 Å²	77	48.3 Å²	48.3	34%	0.335	26%	0.261	S	S	.	.			trans	-120.6	-5	-172.5	-60.6	-178.4	-177.2	167.9	0	113.6	P62 F318 D334	P62-K316 PolarHBondContact O-NZ 3.36Å; K316-F318 PolarHBondContact O-N 2.74Å; K316-D334 WeakPolarHBondContact CE-OD1 3.46Å; K316-D334 WeakPolarHBondContact CE-OD2 3.29Å; K316-D334 WeakPolarHBondContact CG-OD1 3.44Å; K316-D334 IonicContact NZ-OD2 3.48Å
317	T	74.4	Confident	83.5	Confident	56 Å²	56	44.9 Å²	44.9	34%	0.344	25%	0.247	S	C	.	.			trans	-69.5	122.6	-174.3	-49.7	0	0	0	0	110.4	C319 Y335	T317-C319 PolarHBondContact O-N 3.35Å; T317-Y335 WeakPolarHBondContact O-CE1 3.45Å; T317-Y335 PolarHBondContact O-OH 3.25Å
318	F	76.7	Confident	83.9	Confident	45 Å²	45	44.2 Å²	44.2	20%	0.197	24%	0.244	C	C	.	.			trans	-76.8	112.5	171	-174.8	-82.9	0	0	0	109.8	H30 K316 L325 V329 L330	H30-F318 HydrophobicContact CB-CD1 3.66Å; H30-F318 HydrophobicContact CB-CD2 3.93Å; H30-F318 HydrophobicContact CB-CE1 3.48Å; H30-F318 VanDerWaalsContact CB-CE1 3.48Å; H30-F318 HydrophobicContact CB-CE2 3.73Å; H30-F318 HydrophobicContact CB-CG 3.89Å; H30-F318 HydrophobicContact CB-CZ 3.51Å; H30-F318 WeakPolarHBondContact CD2-CB 3.34Å; H30-F318 AromaticContact CD2-CD1 3.46Å; H30-F318 VanDerWaalsContact CD2-CD1 3.46Å; H30-F318 WeakPolarHBondContact CD2-CD1 3.23Å; H30-F318 AromaticContact CD2-CD2 3.79Å; H30-F318 AromaticContact CD2-CG 3.21Å; H30-F318 WeakPolarHBondContact CD2-CG 3.16Å; H30-F318 AromaticContact CE1-CD1 3.85Å; H30-F318 AromaticContact CG-CD1 3.21Å; H30-F318 AromaticContact CG-CD2 3.96Å; H30-F318 AromaticContact CG-CE1 3.57Å; H30-F318 AromaticContact CG-CG 3.44Å; H30-F318 VanDerWaalsContact CG-CG 3.44Å; H30-F318 AromaticContact ND1-CD1 3.49Å; H30-F318 WeakPolarHBondContact ND1-CD1 3.39Å; H30-F318 AromaticContact ND1-CE1 3.9Å; H30-F318 WeakPolarHBondContact NE2-CB 3.37Å; H30-F318 AromaticContact NE2-CD1 3.87Å; H30-F318 AromaticContact NE2-CG 3.79Å; K316-F318 PolarHBondContact O-N 2.74Å; F318-L325 HydrophobicContact CE1-CD1 4.1Å; F318-L325 HydrophobicContact CE2-CD1 4.02Å; F318-L325 HydrophobicContact CZ-CD1 3.47Å; F318-L325 VanDerWaalsContact CZ-CD1 3.47Å; F318-V329 HydrophobicContact CD2-CG1 4.12Å; F318-V329 WeakPolarHBondContact CD2-O 3.37Å; F318-V329 HydrophobicContact CE2-CG1 4.46Å; F318-L330 HydrophobicContact CE2-CD2 4.12Å; F318-L330 HydrophobicContact CZ-CD2 4.33Å
319	C	80.3	Confident	84.1	Confident	15 Å²	15	38.5 Å²	38.5	10%	0.101	21%	0.213	C	C	.	.			trans	-153.6	160.1	176.9	60.7	0	0	0	0	110.4	L304 T317 L325	L304-C319 HydrophobicContact CD1-CB 4.28Å; L304-C319 HydrophobicContact CD2-CB 3.99Å; T317-C319 PolarHBondContact O-N 3.35Å; C319-L325 WeakPolarHBondContact O-CD2 3.43Å
320	G	80.8	Confident	84.3	Confident	22 Å²	22	38.2 Å²	38.2	23%	0.227	21%	0.211	C	C	.	.	S	Bend	trans	117.1	173	178.8	0	0	0	0	0	112.9
321	T	83.7	Confident	84.4	Confident	31 Å²	31	39.8 Å²	39.8	19%	0.19	22%	0.215	C	C	.	.			trans	-83.9	125.5	-177.3	-54.7	0	0	0	0	110.7	D283 K285 E323 Y324 L325	D283-T321 PolarHBondContact OD1-N 3.31Å; D283-T321 PolarHBondContact OD1-OG1 3.19Å; K285-T321 HydrophobicContact CD-CG2 4.39Å; K285-T321 WeakPolarHBondContact CD-OG1 3.4Å; K285-T321 PolarHBondContact NZ-OG1 2.73Å; T321-E323 VanDerWaalsContact C-N 3.28Å; T321-E323 PolarHBondContact O-N 3.24Å; T321-Y324 HydrophobicContact CG2-CD2 3.94Å; T321-Y324 HydrophobicContact CG2-CE2 4.44Å; T321-Y324 PolarHBondContact O-N 2.85Å; T321-L325 WeakPolarHBondContact O-CG 3.27Å; T321-L325 PolarHBondContact O-N 3.21Å; T321-L325 VanDerWaalsContact O-N 3.14Å
322	P	88.9	Confident	83.9	Confident	34 Å²	34	36.3 Å²	36.3	22%	0.221	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.7	-41.9	-168.5	-33.3	37.3	0	0	0	116.3	Y324 L325 L366 F367 I370	P322-Y324 VanDerWaalsContact C-N 3.29Å; P322-Y324 PolarHBondContact O-N 3.32Å; P322-L325 PolarHBondContact O-N 2.89Å; P322-L366 HydrophobicContact CB-CD2 4.09Å; P322-F367 HydrophobicContact CB-CE1 3.96Å; P322-F367 HydrophobicContact CB-CZ 4.38Å; P322-I370 VanDerWaalsContact O-CD1 3.31Å; P322-I370 WeakPolarHBondContact O-CD1 2.8Å
323	E	92.1	Very high	83.6	Confident	44 Å²	44	34.6 Å²	34.6	21%	0.206	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-23.7	-178.4	-65.6	80.9	177.9	0	0	113.5	T321 L356 L366	T321-E323 VanDerWaalsContact C-N 3.28Å; T321-E323 PolarHBondContact O-N 3.24Å; E323-L356 HydrophobicContact CB-CD1 3.83Å; E323-L356 HydrophobicContact CB-CD2 4.33Å; E323-L356 HydrophobicContact CG-CD1 3.77Å; E323-L366 HydrophobicContact CG-CD2 3.96Å
324	Y	95.2	Very high	83.5	Confident	18 Å²	18	32.1 Å²	32.1	7%	0.071	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.2	-7.7	-178.5	-63.4	-92.1	0	0	0	112.7	I284 K285 T321 P322 A326 W342 V346 V347 E350 L356	I284-Y324 WeakPolarHBondContact O-CD1 3.41Å; K285-Y324 HydrophobicContact CB-CD1 3.9Å; K285-Y324 HydrophobicContact CB-CD2 3.73Å; K285-Y324 HydrophobicContact CB-CE1 3.91Å; K285-Y324 HydrophobicContact CB-CE2 3.69Å; K285-Y324 HydrophobicContact CB-CG 3.83Å; T321-Y324 HydrophobicContact CG2-CD2 3.94Å; T321-Y324 HydrophobicContact CG2-CE2 4.44Å; T321-Y324 PolarHBondContact O-N 2.85Å; P322-Y324 VanDerWaalsContact C-N 3.29Å; P322-Y324 PolarHBondContact O-N 3.32Å; Y324-A326 PolarHBondContact O-N 3Å; Y324-W342 VanDerWaalsContact O-CD1 3.23Å; Y324-W342 PolarHBondContact O-NE1 2.84Å; Y324-V346 HydrophobicContact CD1-CB 3.9Å; Y324-V346 HydrophobicContact CD1-CG1 3.36Å; Y324-V346 HydrophobicContact CE1-CB 4.35Å; Y324-V346 HydrophobicContact CE1-CG1 3.55Å; Y324-V346 HydrophobicContact CG-CG1 4.17Å; Y324-V347 HydrophobicContact CD1-CG2 4.17Å; Y324-V347 HydrophobicContact CE1-CG2 3.86Å; Y324-E350 PolarHBondContact OH-OE2 2.88Å; Y324-L356 HydrophobicContact CE1-CD2 4.23Å; Y324-L356 HydrophobicContact CE2-CD2 4.34Å
325	L	92.7	Very high	83.7	Confident	7 Å²	7	26.9 Å²	26.9	4%	0.037	15%	0.145	C	C	.	.			trans	-61.4	133	-178.9	-70.8	-179.8	0	0	0	111.9	F318 C319 T321 P322 V329 L330 W342 I370	F318-L325 HydrophobicContact CE1-CD1 4.1Å; F318-L325 HydrophobicContact CE2-CD1 4.02Å; F318-L325 HydrophobicContact CZ-CD1 3.47Å; F318-L325 VanDerWaalsContact CZ-CD1 3.47Å; C319-L325 WeakPolarHBondContact O-CD2 3.43Å; T321-L325 WeakPolarHBondContact O-CG 3.27Å; T321-L325 PolarHBondContact O-N 3.21Å; T321-L325 VanDerWaalsContact O-N 3.14Å; P322-L325 PolarHBondContact O-N 2.89Å; L325-V329 HydrophobicContact CD2-CG1 4Å; L325-L330 HydrophobicContact CB-CD2 3.81Å; L325-L330 HydrophobicContact CB-CG 4.12Å; L325-L330 HydrophobicContact CD1-CD2 3.51Å; L325-L330 HydrophobicContact CG-CD2 4.3Å; L325-W342 PolarHBondContact O-NE1 3.45Å; L325-W342 VanDerWaalsContact O-NE1 3.12Å; L325-I370 WeakPolarHBondContact O-CG2 3.34Å
326	A	93.9	Very high	84.1	Confident	3 Å²	3	27.1 Å²	27.1	3%	0.025	15%	0.15	C	C	.	.			trans	-71.6	149.4	173.1	0	0	0	0	0	111.2	Y324 E328 V329 L330 V339 W342	Y324-A326 PolarHBondContact O-N 3Å; A326-E328 HydrophobicContact CB-CG 4.43Å; A326-E328 WeakPolarHBondContact CB-OE2 3.49Å; A326-E328 PolarHBondContact O-N 3.13Å; A326-V329 HydrophobicContact CB-CG2 4.21Å; A326-V329 WeakPolarHBondContact O-CB 3.21Å; A326-V329 PolarHBondContact O-N 3Å; A326-L330 PolarHBondContact O-N 2.85Å; A326-V339 HydrophobicContact CB-CB 4.22Å; A326-V339 HydrophobicContact CB-CG1 4.02Å; A326-W342 VanDerWaalsContact CA-CD1 3.48Å; A326-W342 HydrophobicContact CB-CB 3.81Å; A326-W342 HydrophobicContact CB-CD2 4.24Å; A326-W342 HydrophobicContact CB-CG 3.66Å
327	P	93.1	Very high	85	Confident	5 Å²	5	25 Å²	25	3%	0.032	14%	0.14	C	C	.	.	H	α-helix	trans	-53.4	-39.6	-179.4	-30	38	0	0	0	113.5	V329 L330 E331 W342 I370 L371 K395	P327-V329 VanDerWaalsContact C-N 3.33Å; P327-V329 PolarHBondContact O-N 3.46Å; P327-L330 CarbonylContact O-C 3.25Å; P327-L330 WeakPolarHBondContact O-CB 3.12Å; P327-L330 PolarHBondContact O-N 3.45Å; P327-E331 WeakPolarHBondContact O-CG 3.21Å; P327-E331 PolarHBondContact O-N 2.74Å; P327-W342 HydrophobicContact CG-CE3 4.19Å; P327-W342 HydrophobicContact CG-CH2 3.6Å; P327-W342 HydrophobicContact CG-CZ2 4.06Å; P327-W342 HydrophobicContact CG-CZ3 3.68Å; P327-I370 HydrophobicContact CG-CG2 3.98Å; P327-L371 HydrophobicContact CB-CD2 4.11Å; P327-K395 HydrophobicContact CB-CB 4.47Å; P327-K395 HydrophobicContact CG-CB 4.13Å; P327-K395 HydrophobicContact CG-CG 4.28Å
328	E	91.1	Very high	86	Confident	5 Å²	5	22.8 Å²	22.8	2%	0.023	13%	0.128	C	C	.	.	H	α-helix	trans	-67.6	-29.9	179.8	64	-86.2	-155	0	0	113.6	A326 E331 N333 V339 P397 R400	A326-E328 HydrophobicContact CB-CG 4.43Å; A326-E328 WeakPolarHBondContact CB-OE2 3.49Å; A326-E328 PolarHBondContact O-N 3.13Å; E328-E331 PolarHBondContact O-N 2.85Å; E328-N333 PolarHBondContact O-N 2.86Å; E328-V339 HydrophobicContact CG-CG1 4.1Å; E328-V339 WeakPolarHBondContact OE1-CG1 3.49Å; E328-P397 HydrophobicContact CB-CG 4.13Å; E328-P397 HydrophobicContact CG-CB 4.36Å; E328-P397 HydrophobicContact CG-CG 4.23Å; E328-R400 IonicContact OE1-CZ 2.76Å; E328-R400 IonicContact OE1-NH1 3.73Å; E328-R400 PolarHBondContact OE1-NH1 2.61Å; E328-R400 IonicContact OE1-NH2 2.83Å; E328-R400 PolarHBondContact OE1-NH2 3.27Å; E328-R400 IonicContact OE2-CZ 3.9Å; E328-R400 IonicContact OE2-NH1 3.23Å; E328-R400 IonicContact OE2-NH2 3.03Å; E328-R400 PolarHBondContact OE2-NH2 2.77Å
329	V	89.2	Confident	86.9	Confident	6 Å²	6	21.2 Å²	21.2	4%	0.036	12%	0.122	C	C	.	.	H	α-helix	trans	-70.8	-43.1	173.4	-176	0	0	0	0	109.7	F318 L325 A326 P327 E331 D332 Y335 V339	F318-V329 HydrophobicContact CD2-CG1 4.12Å; F318-V329 WeakPolarHBondContact CD2-O 3.37Å; F318-V329 HydrophobicContact CE2-CG1 4.46Å; L325-V329 HydrophobicContact CD2-CG1 4Å; A326-V329 HydrophobicContact CB-CG2 4.21Å; A326-V329 WeakPolarHBondContact O-CB 3.21Å; A326-V329 PolarHBondContact O-N 3Å; P327-V329 VanDerWaalsContact C-N 3.33Å; P327-V329 PolarHBondContact O-N 3.46Å; V329-E331 PolarHBondContact O-N 3.5Å; V329-D332 PolarHBondContact O-N 2.96Å; V329-D332 VanDerWaalsContact O-N 3.12Å; V329-Y335 HydrophobicContact CB-CD1 4.44Å; V329-Y335 HydrophobicContact CB-CE1 4.49Å; V329-Y335 HydrophobicContact CG1-CE1 4.2Å; V329-Y335 HydrophobicContact CG2-CD1 3.85Å; V329-Y335 HydrophobicContact CG2-CD2 4.19Å; V329-Y335 HydrophobicContact CG2-CE1 4Å; V329-Y335 HydrophobicContact CG2-CE2 4.32Å; V329-Y335 HydrophobicContact CG2-CG 3.93Å; V329-V339 HydrophobicContact CG2-CB 4.48Å; V329-V339 HydrophobicContact CG2-CG1 3.69Å
330	L	86.4	Confident	87.7	Confident	2 Å²	2	20.6 Å²	20.6	1%	0.01	12%	0.117	C	C	.	.	H	α-helix	trans	-61.6	-29.6	172.4	-64.7	-174.2	0	0	0	112.1	I31 R35 F318 L325 A326 P327 D332 F367 I370 L371	I31-L330 HydrophobicContact CD1-CB 3.44Å; I31-L330 VanDerWaalsContact CD1-CB 3.44Å; I31-L330 HydrophobicContact CD1-CD1 4.44Å; I31-L330 HydrophobicContact CD1-CD2 3.6Å; I31-L330 HydrophobicContact CD1-CG 3.99Å; I31-L330 WeakPolarHBondContact CD1-O 3.49Å; I31-L330 HydrophobicContact CG1-CD2 4.49Å; R35-L330 PolarHBondContact NH2-O 3.09Å; R35-L330 VanDerWaalsContact NH2-O 3.07Å; F318-L330 HydrophobicContact CE2-CD2 4.12Å; F318-L330 HydrophobicContact CZ-CD2 4.33Å; L325-L330 HydrophobicContact CB-CD2 3.81Å; L325-L330 HydrophobicContact CB-CG 4.12Å; L325-L330 HydrophobicContact CD1-CD2 3.51Å; L325-L330 HydrophobicContact CG-CD2 4.3Å; A326-L330 PolarHBondContact O-N 2.85Å; P327-L330 CarbonylContact O-C 3.25Å; P327-L330 WeakPolarHBondContact O-CB 3.12Å; P327-L330 PolarHBondContact O-N 3.45Å; L330-D332 PolarHBondContact O-N 3.44Å; L330-F367 HydrophobicContact CD1-CB 4.18Å; L330-F367 HydrophobicContact CD1-CD1 3.91Å; L330-F367 HydrophobicContact CD1-CG 4.34Å; L330-F367 HydrophobicContact CD2-CD1 3.55Å; L330-F367 HydrophobicContact CD2-CE1 3.69Å; L330-F367 HydrophobicContact CD2-CG 4.16Å; L330-F367 HydrophobicContact CD2-CZ 4.4Å; L330-F367 HydrophobicContact CG-CD1 4.41Å; L330-I370 HydrophobicContact CD1-CB 3.62Å; L330-I370 HydrophobicContact CD1-CD1 4.01Å; L330-I370 HydrophobicContact CD1-CG1 4.42Å; L330-I370 HydrophobicContact CD1-CG2 3.4Å; L330-I370 VanDerWaalsContact CD1-CG2 3.4Å; L330-I370 HydrophobicContact CG-CG2 4.48Å; L330-L371 HydrophobicContact CB-CD2 4.03Å; L330-L371 HydrophobicContact CB-CG 4.46Å; L330-L371 HydrophobicContact CD1-CD2 4.45Å; L330-L371 HydrophobicContact CD1-CG 4.26Å
331	E	80	Confident	88.5	Confident	73 Å²	73	19.6 Å²	19.6	34%	0.341	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-2.2	177.6	-73.1	-169.9	163.8	0	0	115.4	R35 P327 E328 V329 N333 L371	R35-E331 VanDerWaalsContact NH1-C 3.31Å; R35-E331 PolarHBondContact NH1-O 3.13Å; R35-E331 VanDerWaalsContact NH2-CA 3.3Å; P327-E331 WeakPolarHBondContact O-CG 3.21Å; P327-E331 PolarHBondContact O-N 2.74Å; E328-E331 PolarHBondContact O-N 2.85Å; V329-E331 PolarHBondContact O-N 3.5Å; E331-N333 HydrophobicContact CB-CB 4.22Å; E331-N333 WeakPolarHBondContact CB-ND2 3.16Å; E331-N333 PolarHBondContact O-N 3.34Å; E331-N333 VanDerWaalsContact O-N 3.09Å; E331-N333 PolarHBondContact O-OD1 2.91Å; E331-N333 PolarHBondContact OE2-ND2 3.31Å; E331-L371 HydrophobicContact CG-CD2 3.63Å
332	D	69.9	Low	89.2	Confident	38 Å²	38	18.1 Å²	18.1	20%	0.203	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	33.1	-173.6	-151.6	24	0	0	0	109.6	K26 V329 L330	K26-D332 IonicContact NZ-OD2 3.52Å; V329-D332 PolarHBondContact O-N 2.96Å; V329-D332 VanDerWaalsContact O-N 3.12Å; L330-D332 PolarHBondContact O-N 3.44Å
333	N	70.6	Confident	89.7	Confident	21 Å²	21	16.6 Å²	16.6	11%	0.112	9%	0.088	C	C	.	.			trans	-99.3	153.1	177.4	-70.6	-17.8	0	0	0	107.7	R51 E328 E331 Y335	R51-N333 PolarHBondContact NH2-ND2 2.97Å; R51-N333 PolarHBondContact NH2-OD1 2.74Å; E328-N333 PolarHBondContact O-N 2.86Å; E331-N333 HydrophobicContact CB-CB 4.22Å; E331-N333 WeakPolarHBondContact CB-ND2 3.16Å; E331-N333 PolarHBondContact O-N 3.34Å; E331-N333 VanDerWaalsContact O-N 3.09Å; E331-N333 PolarHBondContact O-OD1 2.91Å; E331-N333 PolarHBondContact OE2-ND2 3.31Å; N333-Y335 WeakPolarHBondContact O-CD1 3.4Å; N333-Y335 PolarHBondContact O-N 3.28Å
334	D	77.7	Confident	90	Very high	43 Å²	43	14.5 Å²	14.5	23%	0.23	8%	0.079	C	C	.	.			trans	-58	125	170.4	-60.2	21.5	0	0	0	109.6	K314 T315 K316	K314-D334 HydrophobicContact CB-CB 3.66Å; K314-D334 HydrophobicContact CD-CB 3.38Å; K314-D334 HydrophobicContact CG-CB 4.15Å; T315-D334 WeakPolarHBondContact O-CA 3.27Å; K316-D334 WeakPolarHBondContact CE-OD1 3.46Å; K316-D334 WeakPolarHBondContact CE-OD2 3.29Å; K316-D334 WeakPolarHBondContact CG-OD1 3.44Å; K316-D334 IonicContact NZ-OD2 3.48Å
335	Y	85.1	Confident	90.1	Very high	7 Å²	7	13.7 Å²	13.7	3%	0.027	8%	0.075	C	C	.	.	B	Isolated β-bridge	trans	-128.2	156.6	-178.3	66	-97.6	0	0	0	111.1	R282 K314 T315 T317 V329 N333 V339	R282-Y335 WeakPolarHBondContact CD-OH 3.44Å; R282-Y335 HydrophobicContact CG-CE2 4.29Å; R282-Y335 PolarHBondContact NH1-OH 3.48Å; K314-Y335 CarbonylContact C-O 3.53Å; K314-Y335 WeakPolarHBondContact CA-O 3.1Å; K314-Y335 WeakPolarHBondContact CB-O 3.17Å; T315-Y335 HydrophobicContact CG2-CD2 3.86Å; T315-Y335 HydrophobicContact CG2-CE1 4.01Å; T315-Y335 HydrophobicContact CG2-CE2 3.26Å; T315-Y335 HydrophobicContact CG2-CG 4.45Å; T315-Y335 PolarHBondContact N-O 2.78Å; T315-Y335 WeakPolarHBondContact O-CD1 3.5Å; T315-Y335 PolarHBondContact O-N 2.69Å; T317-Y335 WeakPolarHBondContact O-CE1 3.45Å; T317-Y335 PolarHBondContact O-OH 3.25Å; V329-Y335 HydrophobicContact CB-CD1 4.44Å; V329-Y335 HydrophobicContact CB-CE1 4.49Å; V329-Y335 HydrophobicContact CG1-CE1 4.2Å; V329-Y335 HydrophobicContact CG2-CD1 3.85Å; V329-Y335 HydrophobicContact CG2-CD2 4.19Å; V329-Y335 HydrophobicContact CG2-CE1 4Å; V329-Y335 HydrophobicContact CG2-CE2 4.32Å; V329-Y335 HydrophobicContact CG2-CG 3.93Å; N333-Y335 WeakPolarHBondContact O-CD1 3.4Å; N333-Y335 PolarHBondContact O-N 3.28Å; Y335-V339 HydrophobicContact CD2-CB 4.41Å; Y335-V339 HydrophobicContact CD2-CG1 3.45Å; Y335-V339 VanDerWaalsContact CD2-CG1 3.45Å; Y335-V339 HydrophobicContact CD2-CG2 4.13Å; Y335-V339 HydrophobicContact CE2-CG1 4.23Å; Y335-V339 HydrophobicContact CE2-CG2 4.33Å; Y335-V339 HydrophobicContact CG-CG1 3.87Å
336	G	89.5	Confident	90.4	Very high	17 Å²	17	13.4 Å²	13.4	18%	0.175	7%	0.074	C	C	.	.			trans	-129.8	-153	-179.7	0	0	0	0	0	111.5	A338 V339	G336-A338 PolarHBondContact O-N 3.18Å; G336-V339 WeakPolarHBondContact O-CG2 3.44Å; G336-V339 PolarHBondContact O-N 2.84Å
337	R	93.4	Very high	90.6	Very high	32 Å²	32	13.2 Å²	13.2	12%	0.121	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-28.9	-178.1	-65.5	168.6	-173.9	-159	-11.8	115.5	H275 N278 V280 I309 F311 V339 D340 D407	H275-R337 PolarHBondContact CE1-O 3.12Å; H275-R337 PolarHBondContact O-NH2 3.43Å; N278-R337 PolarHBondContact OD1-NH2 3.03Å; V280-R337 HydrophobicContact CG2-CB 4.43Å; V280-R337 HydrophobicContact CG2-CG 3.75Å; I309-R337 PolarHBondContact O-NE 3.28Å; I309-R337 PolarHBondContact O-NH2 2.79Å; I309-R337 VanDerWaalsContact O-NH2 3.07Å; F311-R337 VanDerWaalsContact N-CZ 3.34Å; R337-V339 PolarHBondContact O-N 2.54Å; R337-D340 PolarHBondContact O-N 2.67Å; R337-D407 WeakPolarHBondContact CD-OD2 3.45Å
338	A	95.5	Very high	90.9	Very high	11 Å²	11	13 Å²	13	9%	0.091	7%	0.071	C	C	.	.	H	α-helix	trans	-58.8	-18.9	-178.9	0	0	0	0	0	114.6	G336 D340 W341 W342 P397 R400 A403	G336-A338 PolarHBondContact O-N 3.18Å; A338-D340 VanDerWaalsContact C-N 3.3Å; A338-D340 PolarHBondContact O-N 3.36Å; A338-W341 PolarHBondContact O-N 3.19Å; A338-W342 PolarHBondContact O-N 2.91Å; A338-P397 HydrophobicContact CB-CB 4.11Å; A338-R400 PolarHBondContact O-NH1 2.73Å; A338-A403 HydrophobicContact CB-CB 3.77Å
339	V	95.5	Very high	91.3	Very high	12 Å²	12	12.9 Å²	12.9	7%	0.073	7%	0.07	C	C	.	.	H	α-helix	trans	-65.5	-33.3	175.7	-60.1	0	0	0	0	112.4	V280 R282 A326 E328 V329 Y335 G336 R337 W341 W342 G343	V280-V339 HydrophobicContact CG1-CG2 3.66Å; R282-V339 HydrophobicContact CG-CG2 4.14Å; A326-V339 HydrophobicContact CB-CB 4.22Å; A326-V339 HydrophobicContact CB-CG1 4.02Å; E328-V339 HydrophobicContact CG-CG1 4.1Å; E328-V339 WeakPolarHBondContact OE1-CG1 3.49Å; V329-V339 HydrophobicContact CG2-CB 4.48Å; V329-V339 HydrophobicContact CG2-CG1 3.69Å; Y335-V339 HydrophobicContact CD2-CB 4.41Å; Y335-V339 HydrophobicContact CD2-CG1 3.45Å; Y335-V339 VanDerWaalsContact CD2-CG1 3.45Å; Y335-V339 HydrophobicContact CD2-CG2 4.13Å; Y335-V339 HydrophobicContact CE2-CG1 4.23Å; Y335-V339 HydrophobicContact CE2-CG2 4.33Å; Y335-V339 HydrophobicContact CG-CG1 3.87Å; G336-V339 WeakPolarHBondContact O-CG2 3.44Å; G336-V339 PolarHBondContact O-N 2.84Å; R337-V339 PolarHBondContact O-N 2.54Å; V339-W341 VanDerWaalsContact C-N 3.3Å; V339-W341 PolarHBondContact O-N 3.3Å; V339-W342 WeakPolarHBondContact O-CB 3.4Å; V339-W342 PolarHBondContact O-N 3.06Å; V339-G343 PolarHBondContact O-N 2.82Å
340	D	97.3	Very high	91.7	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.011	7%	0.073	C	C	.	.	H	α-helix	trans	-70.6	-31.5	179.4	-71.4	-15.7	0	0	0	111	L271 H275 V280 Y281 R282 R337 A338 G343 T344	L271-D340 HydrophobicContact CD1-CB 4.02Å; L271-D340 HydrophobicContact CD2-CB 3.95Å; H275-D340 IonicContact CD2-OD2 2.65Å; H275-D340 IonicContact NE2-OD2 3.56Å; H275-D340 PolarHBondContact NE2-OD2 3.43Å; H275-D340 VanDerWaalsContact NE2-OD2 3.08Å; V280-D340 VanDerWaalsContact CG1-OD2 3.3Å; V280-D340 WeakPolarHBondContact CG1-OD2 3.37Å; Y281-D340 PolarHBondContact N-OD2 3.38Å; R282-D340 WeakPolarHBondContact CA-OD1 3.26Å; R282-D340 PolarHBondContact N-OD1 2.99Å; R337-D340 PolarHBondContact O-N 2.67Å; A338-D340 VanDerWaalsContact C-N 3.3Å; A338-D340 PolarHBondContact O-N 3.36Å; D340-G343 PolarHBondContact O-N 2.67Å; D340-T344 WeakPolarHBondContact O-CB 3.44Å; D340-T344 PolarHBondContact O-N 3.26Å; D340-T344 PolarHBondContact O-OG1 3.02Å
341	W	98.5	Very high	92.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-72.4	-34.7	173.8	-54.4	137.5	0	0	0	113.2	V268 L271 H275 A338 V339 G345 L392 G402 D407 A408 I411	V268-W341 HydrophobicContact CB-CZ3 4.45Å; V268-W341 HydrophobicContact CG1-CH2 4.41Å; V268-W341 HydrophobicContact CG1-CZ3 4.41Å; V268-W341 HydrophobicContact CG2-CZ3 4.12Å; L271-W341 HydrophobicContact CB-CH2 3.64Å; L271-W341 HydrophobicContact CB-CZ3 3.78Å; L271-W341 HydrophobicContact CD1-CE3 4.04Å; L271-W341 HydrophobicContact CD1-CH2 4.35Å; L271-W341 HydrophobicContact CD1-CZ3 3.64Å; L271-W341 HydrophobicContact CG-CZ3 4.4Å; H275-W341 AromaticContact CE1-CE2 3.68Å; H275-W341 AromaticContact CE1-CZ2 3.63Å; H275-W341 AromaticContact CE1-NE1 3.79Å; H275-W341 AromaticContact ND1-CE2 3.95Å; H275-W341 AromaticContact ND1-CZ2 3.58Å; A338-W341 PolarHBondContact O-N 3.19Å; V339-W341 VanDerWaalsContact C-N 3.3Å; V339-W341 PolarHBondContact O-N 3.3Å; W341-G345 PolarHBondContact O-N 2.96Å; W341-L392 HydrophobicContact CB-CD2 4.06Å; W341-G402 VanDerWaalsContact CD1-C 3.45Å; W341-G402 PolarHBondContact NE1-O 2.82Å; W341-D407 VanDerWaalsContact CZ2-OD1 3.25Å; W341-D407 WeakPolarHBondContact CZ2-OD1 3.34Å; W341-A408 HydrophobicContact CH2-CB 3.69Å; W341-A408 HydrophobicContact CZ2-CB 3.67Å; W341-I411 HydrophobicContact CB-CD1 4.26Å; W341-I411 HydrophobicContact CD2-CD1 3.24Å; W341-I411 HydrophobicContact CE3-CD1 3.21Å; W341-I411 HydrophobicContact CG-CD1 3.72Å; W341-I411 HydrophobicContact CH2-CD1 4.1Å; W341-I411 HydrophobicContact CZ2-CD1 4.11Å; W341-I411 HydrophobicContact CZ3-CD1 3.66Å
342	W	98.3	Very high	93.1	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-61.3	-51.5	168	174.6	-85.2	0	0	0	110.9	Y324 L325 A326 P327 A338 V339 T344 G345 V346 F358 I370 L393	Y324-W342 VanDerWaalsContact O-CD1 3.23Å; Y324-W342 PolarHBondContact O-NE1 2.84Å; L325-W342 PolarHBondContact O-NE1 3.45Å; L325-W342 VanDerWaalsContact O-NE1 3.12Å; A326-W342 VanDerWaalsContact CA-CD1 3.48Å; A326-W342 HydrophobicContact CB-CB 3.81Å; A326-W342 HydrophobicContact CB-CD2 4.24Å; A326-W342 HydrophobicContact CB-CG 3.66Å; P327-W342 HydrophobicContact CG-CE3 4.19Å; P327-W342 HydrophobicContact CG-CH2 3.6Å; P327-W342 HydrophobicContact CG-CZ2 4.06Å; P327-W342 HydrophobicContact CG-CZ3 3.68Å; A338-W342 PolarHBondContact O-N 2.91Å; V339-W342 WeakPolarHBondContact O-CB 3.4Å; V339-W342 PolarHBondContact O-N 3.06Å; W342-T344 VanDerWaalsContact C-N 3.29Å; W342-T344 PolarHBondContact O-N 3.05Å; W342-G345 CarbonylContact O-C 3.55Å; W342-G345 WeakPolarHBondContact O-CA 3.31Å; W342-G345 PolarHBondContact O-N 3.48Å; W342-V346 WeakPolarHBondContact O-CG2 3.17Å; W342-V346 PolarHBondContact O-N 2.96Å; W342-F358 AromaticContact CH2-CE2 3.81Å; W342-F358 HydrophobicContact CH2-CE2 3.81Å; W342-F358 HydrophobicContact CZ2-CD2 4.33Å; W342-F358 AromaticContact CZ2-CE2 3.85Å; W342-F358 HydrophobicContact CZ2-CE2 3.85Å; W342-I370 HydrophobicContact CH2-CG2 4.46Å; W342-I370 HydrophobicContact CZ2-CG2 3.91Å; W342-L393 HydrophobicContact CD2-CD2 4.09Å; W342-L393 HydrophobicContact CE3-CD2 4.15Å; W342-L393 HydrophobicContact CH2-CD2 4.45Å; W342-L393 HydrophobicContact CZ2-CD2 4.37Å; W342-L393 HydrophobicContact CZ3-CB 4.28Å; W342-L393 HydrophobicContact CZ3-CD2 4.35Å; W342-L393 WeakPolarHBondContact CZ3-O 3.22Å
343	G	97.9	Very high	94.4	Very high	3 Å²	3	9.2 Å²	9.2	3%	0.031	5%	0.053	C	C	.	.	H	α-helix	trans	-56.2	-44.1	178	0	0	0	0	0	112	V339 D340 G345 V346 V347	V339-G343 PolarHBondContact O-N 2.82Å; D340-G343 PolarHBondContact O-N 2.67Å; G343-G345 VanDerWaalsContact C-N 3.32Å; G343-G345 PolarHBondContact O-N 3.37Å; G343-V346 PolarHBondContact O-N 3.01Å; G343-V346 VanDerWaalsContact O-N 3.12Å; G343-V347 WeakPolarHBondContact O-CG2 3.33Å; G343-V347 PolarHBondContact O-N 3.49Å
344	T	98.6	Very high	95.6	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-58.2	-43.8	173.5	-58.2	0	0	0	0	111.6	I267 V268 L271 D340 W342 V346 V347 M348 L392	I267-T344 HydrophobicContact CG2-CG2 4.24Å; V268-T344 HydrophobicContact CG2-CG2 4.41Å; L271-T344 VanDerWaalsContact CD1-OG1 3.28Å; L271-T344 WeakPolarHBondContact CD1-OG1 3.18Å; D340-T344 WeakPolarHBondContact O-CB 3.44Å; D340-T344 PolarHBondContact O-N 3.26Å; D340-T344 PolarHBondContact O-OG1 3.02Å; W342-T344 VanDerWaalsContact C-N 3.29Å; W342-T344 PolarHBondContact O-N 3.05Å; T344-V346 PolarHBondContact O-N 3.06Å; T344-V347 PolarHBondContact O-N 2.98Å; T344-M348 HydrophobicContact CG2-CG 4.32Å; T344-M348 HydrophobicContact CG2-SD 3.98Å; T344-M348 WeakPolarHBondContact O-CB 3.39Å; T344-M348 VanDerWaalsContact O-CG 3.3Å; T344-M348 WeakPolarHBondContact O-CG 3.22Å; T344-M348 PolarHBondContact O-N 3Å; T344-L392 HydrophobicContact CG2-CD1 4.48Å
345	G	98.7	Very high	96.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.1	-41.5	174.2	0	0	0	0	0	113.2	W341 W342 G343 Y349	W341-G345 PolarHBondContact O-N 2.96Å; W342-G345 CarbonylContact O-C 3.55Å; W342-G345 WeakPolarHBondContact O-CA 3.31Å; W342-G345 PolarHBondContact O-N 3.48Å; G343-G345 VanDerWaalsContact C-N 3.32Å; G343-G345 PolarHBondContact O-N 3.37Å; G345-Y349 WeakPolarHBondContact O-CB 3.44Å; G345-Y349 PolarHBondContact O-N 3.33Å
346	V	98.6	Very high	97	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.006	9%	0.086	C	C	.	.	H	α-helix	trans	-64.8	-49.4	177.5	177.8	0	0	0	0	110.4	Y324 W342 G343 T344 Y349 E350 L356 P357 L393	Y324-V346 HydrophobicContact CD1-CB 3.9Å; Y324-V346 HydrophobicContact CD1-CG1 3.36Å; Y324-V346 HydrophobicContact CE1-CB 4.35Å; Y324-V346 HydrophobicContact CE1-CG1 3.55Å; Y324-V346 HydrophobicContact CG-CG1 4.17Å; W342-V346 WeakPolarHBondContact O-CG2 3.17Å; W342-V346 PolarHBondContact O-N 2.96Å; G343-V346 PolarHBondContact O-N 3.01Å; G343-V346 VanDerWaalsContact O-N 3.12Å; T344-V346 PolarHBondContact O-N 3.06Å; V346-Y349 WeakPolarHBondContact O-CB 3.49Å; V346-Y349 PolarHBondContact O-N 3.16Å; V346-E350 WeakPolarHBondContact O-CB 3.43Å; V346-E350 PolarHBondContact O-N 2.92Å; V346-L356 HydrophobicContact CG1-CD2 3.91Å; V346-P357 HydrophobicContact CB-CG 4.45Å; V346-P357 HydrophobicContact CG1-CG 4.06Å; V346-P357 HydrophobicContact CG2-CG 4.17Å; V346-L393 HydrophobicContact CG2-CD2 3.78Å
347	V	98.5	Very high	97.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.4	-49.6	178.9	173.5	0	0	0	0	110.7	I267 I284 L286 L289 Y324 G343 T344 Y349 E350 M351	I267-V347 HydrophobicContact CD1-CG1 4.4Å; I284-V347 HydrophobicContact CG2-CB 4.43Å; I284-V347 HydrophobicContact CG2-CG2 3.63Å; L286-V347 HydrophobicContact CD2-CG1 3.71Å; L286-V347 HydrophobicContact CG-CG1 4.35Å; L289-V347 HydrophobicContact CD1-CG1 3.57Å; L289-V347 HydrophobicContact CD1-CG2 4.48Å; Y324-V347 HydrophobicContact CD1-CG2 4.17Å; Y324-V347 HydrophobicContact CE1-CG2 3.86Å; G343-V347 WeakPolarHBondContact O-CG2 3.33Å; G343-V347 PolarHBondContact O-N 3.49Å; T344-V347 PolarHBondContact O-N 2.98Å; V347-Y349 VanDerWaalsContact C-N 3.33Å; V347-Y349 PolarHBondContact O-N 3.46Å; V347-E350 PolarHBondContact O-N 3.43Å; V347-E350 VanDerWaalsContact O-N 3.16Å; V347-M351 HydrophobicContact CG1-CE 3.32Å; V347-M351 WeakPolarHBondContact O-CG 3.39Å; V347-M351 PolarHBondContact O-N 3.33Å
348	M	98.7	Very high	97.6	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-64.6	-37.3	179.5	-70.6	-175	77.6	0	0	112.3	T260 T344 E350 M351 M352 L388 L389 L392 F416 F417	T260-M348 HydrophobicContact CG2-CB 4Å; T260-M348 HydrophobicContact CG2-CE 3.87Å; T260-M348 HydrophobicContact CG2-CG 4.04Å; T344-M348 HydrophobicContact CG2-CG 4.32Å; T344-M348 HydrophobicContact CG2-SD 3.98Å; T344-M348 WeakPolarHBondContact O-CB 3.39Å; T344-M348 VanDerWaalsContact O-CG 3.3Å; T344-M348 WeakPolarHBondContact O-CG 3.22Å; T344-M348 PolarHBondContact O-N 3Å; M348-E350 VanDerWaalsContact C-N 3.32Å; M348-M351 PolarHBondContact O-N 2.76Å; M348-M352 HydrophobicContact CB-CE 4.05Å; M348-M352 VanDerWaalsContact O-CE 3.24Å; M348-M352 WeakPolarHBondContact O-CE 3.37Å; M348-M352 PolarHBondContact O-N 3.07Å; M348-M352 VanDerWaalsContact O-N 3.14Å; M348-L388 HydrophobicContact CE-CD2 3.51Å; M348-L388 HydrophobicContact SD-CD2 4.01Å; M348-L389 HydrophobicContact CB-CD2 3.93Å; M348-L392 HydrophobicContact SD-CD1 4.33Å; M348-F416 HydrophobicContact CE-CD1 4.17Å; M348-F416 HydrophobicContact CE-CE1 3.52Å; M348-F416 HydrophobicContact CE-CZ 4.23Å; M348-F417 HydrophobicContact CE-CE1 4.38Å; M348-F417 HydrophobicContact CE-CZ 3.78Å; M348-F417 HydrophobicContact SD-CZ 4.21Å
349	Y	98.6	Very high	97.5	Very high	3 Å²	3	20.9 Å²	20.9	1%	0.012	10%	0.102	C	C	.	.	H	α-helix	trans	-59.1	-48	172.8	-179.1	-77.7	0	0	0	110	G345 V346 V347 M351 M352 C353 R355 P357 V375 R376 F377 L389 L393	G345-Y349 WeakPolarHBondContact O-CB 3.44Å; G345-Y349 PolarHBondContact O-N 3.33Å; V346-Y349 WeakPolarHBondContact O-CB 3.49Å; V346-Y349 PolarHBondContact O-N 3.16Å; V347-Y349 VanDerWaalsContact C-N 3.33Å; V347-Y349 PolarHBondContact O-N 3.46Å; Y349-M351 PolarHBondContact O-N 2.9Å; Y349-M352 PolarHBondContact O-N 2.91Å; Y349-C353 HydrophobicContact CD1-CB 3.93Å; Y349-C353 HydrophobicContact CE1-CB 3.58Å; Y349-C353 WeakPolarHBondContact O-CB 3.29Å; Y349-C353 PolarHBondContact O-N 3.36Å; Y349-C353 PolarHBondContact O-SG 2.96Å; Y349-C353 VanDerWaalsContact O-SG 3.33Å; Y349-R355 WeakPolarHBondContact CD1-O 3.41Å; Y349-R355 HydrophobicContact CE1-CG 4.26Å; Y349-R355 WeakPolarHBondContact CE1-O 3.37Å; Y349-P357 HydrophobicContact CD1-CB 3.82Å; Y349-P357 HydrophobicContact CD1-CG 4.23Å; Y349-P357 HydrophobicContact CD2-CB 4.11Å; Y349-P357 VanDerWaalsContact CE1-CA 3.46Å; Y349-P357 HydrophobicContact CE1-CB 3.97Å; Y349-P357 HydrophobicContact CE2-CB 4.24Å; Y349-P357 HydrophobicContact CG-CB 3.92Å; Y349-P357 HydrophobicContact CG-CG 4.36Å; Y349-V375 HydrophobicContact CD2-CG1 4.02Å; Y349-V375 HydrophobicContact CE2-CG1 3.68Å; Y349-R376 WeakPolarHBondContact CE2-O 3.31Å; Y349-R376 PolarHBondContact OH-O 3.04Å; Y349-F377 HydrophobicContact CD2-CD1 4.36Å; Y349-F377 HydrophobicContact CD2-CE1 4.14Å; Y349-F377 HydrophobicContact CE2-CD1 4.01Å; Y349-F377 HydrophobicContact CE2-CE1 4.1Å; Y349-L389 HydrophobicContact CD2-CD1 4.01Å; Y349-L393 HydrophobicContact CD2-CD1 4.24Å
350	E	97.9	Very high	97.4	Very high	21 Å²	21	21.1 Å²	21.1	10%	0.098	10%	0.104	C	C	.	.	H	α-helix	trans	-63.3	-42.7	-177.9	-168.7	168.2	-161	0	0	112	L249 L286 Y324 V346 V347 M348 M352 G354 R355 L356	L249-E350 HydrophobicContact CD2-CG 3.87Å; L286-E350 HydrophobicContact CD1-CB 4.34Å; L286-E350 HydrophobicContact CD1-CG 3.82Å; L286-E350 WeakPolarHBondContact CD1-OE2 3.34Å; Y324-E350 PolarHBondContact OH-OE2 2.88Å; V346-E350 WeakPolarHBondContact O-CB 3.43Å; V346-E350 PolarHBondContact O-N 2.92Å; V347-E350 PolarHBondContact O-N 3.43Å; V347-E350 VanDerWaalsContact O-N 3.16Å; M348-E350 VanDerWaalsContact C-N 3.32Å; E350-M352 PolarHBondContact O-N 3.04Å; E350-G354 VanDerWaalsContact O-CA 3.28Å; E350-G354 WeakPolarHBondContact O-CA 3.23Å; E350-G354 PolarHBondContact O-N 2.94Å; E350-R355 WeakPolarHBondContact CA-O 3.36Å; E350-L356 WeakPolarHBondContact OE2-CD2 3.46Å
351	M	98.3	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-57.9	-48.6	174.4	-66.5	-171	-153.3	0	0	112.4	L245 F255 T260 Y263 I267 L286 L289 V347 M348 Y349	L245-M351 HydrophobicContact CD2-CE 3.35Å; L245-M351 HydrophobicContact CD2-SD 4.23Å; F255-M351 HydrophobicContact CB-CB 4.39Å; F255-M351 HydrophobicContact CD2-CB 3.93Å; F255-M351 HydrophobicContact CD2-CG 3.83Å; F255-M351 HydrophobicContact CD2-SD 3.9Å; F255-M351 HydrophobicContact CE2-CG 4.26Å; F255-M351 HydrophobicContact CE2-SD 4.33Å; F255-M351 PolarHBondContact N-O 3.49Å; T260-M351 HydrophobicContact CG2-CB 3.92Å; T260-M351 HydrophobicContact CG2-CG 4.5Å; T260-M351 HydrophobicContact CG2-SD 3.9Å; T260-M351 VanDerWaalsContact OG1-CB 3.3Å; T260-M351 WeakPolarHBondContact OG1-CB 3.47Å; Y263-M351 HydrophobicContact CD2-SD 4.05Å; I267-M351 HydrophobicContact CD1-CE 4.18Å; L286-M351 HydrophobicContact CD2-CE 4.25Å; L286-M351 HydrophobicContact CD2-CG 4.28Å; L289-M351 HydrophobicContact CD1-CE 4.45Å; V347-M351 HydrophobicContact CG1-CE 3.32Å; V347-M351 WeakPolarHBondContact O-CG 3.39Å; V347-M351 PolarHBondContact O-N 3.33Å; M348-M351 PolarHBondContact O-N 2.76Å; Y349-M351 PolarHBondContact O-N 2.9Å
352	M	97.9	Very high	96.8	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.02	17%	0.165	C	C	.	.	H	α-helix	trans	-81.4	-26.5	-175	-65.1	-178.7	-87	0	0	113.7	E257 T260 M348 Y349 E350 L381 A385 L389 F416	E257-M352 HydrophobicContact CB-SD 4.48Å; E257-M352 HydrophobicContact CG-CG 4.44Å; E257-M352 HydrophobicContact CG-SD 3.94Å; T260-M352 HydrophobicContact CG2-CE 3.93Å; T260-M352 HydrophobicContact CG2-CG 3.73Å; T260-M352 HydrophobicContact CG2-SD 4.17Å; T260-M352 WeakPolarHBondContact OG1-CG 3.19Å; M348-M352 HydrophobicContact CB-CE 4.05Å; M348-M352 VanDerWaalsContact O-CE 3.24Å; M348-M352 WeakPolarHBondContact O-CE 3.37Å; M348-M352 PolarHBondContact O-N 3.07Å; M348-M352 VanDerWaalsContact O-N 3.14Å; Y349-M352 PolarHBondContact O-N 2.91Å; E350-M352 PolarHBondContact O-N 3.04Å; M352-L381 HydrophobicContact CB-CD2 3.73Å; M352-L381 HydrophobicContact CG-CD2 4.49Å; M352-L381 HydrophobicContact SD-CD2 4.21Å; M352-A385 HydrophobicContact SD-CB 3.92Å; M352-L389 HydrophobicContact CE-CD1 3.72Å; M352-L389 HydrophobicContact CE-CD2 3.75Å; M352-L389 HydrophobicContact CE-CG 3.85Å; M352-F416 HydrophobicContact SD-CE2 4.29Å; M352-F416 HydrophobicContact SD-CZ 4.18Å
353	C	97.1	Very high	96.2	Very high	16 Å²	16	39 Å²	39	11%	0.108	19%	0.187	C	C	.	.	H	α-helix	trans	-100.2	-19.3	-176.2	-60.5	0	0	0	0	113.7	Y349 R355 P378	Y349-C353 HydrophobicContact CD1-CB 3.93Å; Y349-C353 HydrophobicContact CE1-CB 3.58Å; Y349-C353 WeakPolarHBondContact O-CB 3.29Å; Y349-C353 PolarHBondContact O-N 3.36Å; Y349-C353 PolarHBondContact O-SG 2.96Å; Y349-C353 VanDerWaalsContact O-SG 3.33Å; C353-R355 VanDerWaalsContact C-N 3.28Å; C353-R355 HydrophobicContact CB-CG 4.29Å; C353-P378 HydrophobicContact CB-CG 4.41Å
354	G	95.8	Very high	95.7	Very high	37 Å²	37	44.2 Å²	44.2	38%	0.381	21%	0.211	S	C	.	.	S	Bend	trans	70.4	21.3	-175.2	0	0	0	0	0	114.1	R253 E350	R253-G354 WeakPolarHBondContact O-CA 3.45Å; E350-G354 VanDerWaalsContact O-CA 3.28Å; E350-G354 WeakPolarHBondContact O-CA 3.23Å; E350-G354 PolarHBondContact O-N 2.94Å
355	R	95.6	Very high	95.4	Very high	142 Å²	142	49.7 Å²	49.7	54%	0.536	24%	0.235	S	C	.	.	S	Bend	trans	-163.1	156.6	179.1	65.1	-177.1	-176.3	-159.4	-1.7	110.6	Y349 E350 C353	Y349-R355 WeakPolarHBondContact CD1-O 3.41Å; Y349-R355 HydrophobicContact CE1-CG 4.26Å; Y349-R355 WeakPolarHBondContact CE1-O 3.37Å; E350-R355 WeakPolarHBondContact CA-O 3.36Å; C353-R355 VanDerWaalsContact C-N 3.28Å; C353-R355 HydrophobicContact CB-CG 4.29Å
356	L	97	Very high	95.2	Very high	29 Å²	29	49.7 Å²	49.7	15%	0.152	24%	0.235	C	C	.	.			trans	-62.4	149	171.5	-69.2	164.1	0	0	0	112.6	E323 Y324 V346 E350 F358 Y359	E323-L356 HydrophobicContact CB-CD1 3.83Å; E323-L356 HydrophobicContact CB-CD2 4.33Å; E323-L356 HydrophobicContact CG-CD1 3.77Å; Y324-L356 HydrophobicContact CE1-CD2 4.23Å; Y324-L356 HydrophobicContact CE2-CD2 4.34Å; V346-L356 HydrophobicContact CG1-CD2 3.91Å; E350-L356 WeakPolarHBondContact OE2-CD2 3.46Å; L356-F358 VanDerWaalsContact C-N 3.3Å; L356-F358 WeakPolarHBondContact CB-O 3.29Å; L356-F358 PolarHBondContact O-N 2.7Å; L356-Y359 HydrophobicContact CD1-CD2 3.93Å
357	P	97.6	Very high	94.9	Very high	17 Å²	17	50.4 Å²	50.4	11%	0.11	24%	0.237	C	C	.	.	S	Bend	trans	-66.7	-31.9	175.9	26.2	-32.8	0	0	0	112.6	V346 Y349 V375 L393	V346-P357 HydrophobicContact CB-CG 4.45Å; V346-P357 HydrophobicContact CG1-CG 4.06Å; V346-P357 HydrophobicContact CG2-CG 4.17Å; Y349-P357 HydrophobicContact CD1-CB 3.82Å; Y349-P357 HydrophobicContact CD1-CG 4.23Å; Y349-P357 HydrophobicContact CD2-CB 4.11Å; Y349-P357 VanDerWaalsContact CE1-CA 3.46Å; Y349-P357 HydrophobicContact CE1-CB 3.97Å; Y349-P357 HydrophobicContact CE2-CB 4.24Å; Y349-P357 HydrophobicContact CG-CB 3.92Å; Y349-P357 HydrophobicContact CG-CG 4.36Å; P357-V375 HydrophobicContact CB-CG1 4.34Å; P357-L393 HydrophobicContact CB-CD1 4.25Å; P357-L393 HydrophobicContact CG-CD1 4.48Å
358	F	97.2	Very high	94.6	Very high	9 Å²	9	56.1 Å²	56.1	4%	0.039	26%	0.264	C	S	.	.	S	Bend	trans	-131.8	133.5	174.9	-51.3	-70.1	0	0	0	108.9	W342 L356 L366 L369 I370 G373 V375	W342-F358 AromaticContact CH2-CE2 3.81Å; W342-F358 HydrophobicContact CH2-CE2 3.81Å; W342-F358 HydrophobicContact CZ2-CD2 4.33Å; W342-F358 AromaticContact CZ2-CE2 3.85Å; W342-F358 HydrophobicContact CZ2-CE2 3.85Å; L356-F358 VanDerWaalsContact C-N 3.3Å; L356-F358 WeakPolarHBondContact CB-O 3.29Å; L356-F358 PolarHBondContact O-N 2.7Å; F358-L366 HydrophobicContact CB-CD1 4.23Å; F358-L369 HydrophobicContact CB-CB 4.14Å; F358-L369 HydrophobicContact CD1-CB 4.04Å; F358-L369 WeakPolarHBondContact CE1-O 3.34Å; F358-L369 HydrophobicContact CG-CB 4.38Å; F358-I370 HydrophobicContact CB-CG1 4.03Å; F358-I370 HydrophobicContact CD2-CG1 3.96Å; F358-I370 HydrophobicContact CG-CG1 4.17Å; F358-G373 WeakPolarHBondContact CE1-O 2.88Å; F358-V375 HydrophobicContact CE1-CG2 4.24Å; F358-V375 HydrophobicContact CE2-CG2 4.06Å; F358-V375 HydrophobicContact CZ-CG2 3.46Å; F358-V375 VanDerWaalsContact CZ-CG2 3.46Å
359	Y	95	Very high	94.5	Very high	142 Å²	142	58.7 Å²	58.7	56%	0.557	28%	0.278	S	S	*	.			trans	-150.8	135.9	178.6	-177.7	-101.6	0	0	0	111	L356	L356-Y359 HydrophobicContact CD1-CD2 3.93Å
360	S	93.3	Very high	94.3	Very high	17 Å²	17	58.5 Å²	58.5	12%	0.119	28%	0.277	C	S	.	.			trans	-158.4	140.9	171	171.7	0	0	0	0	108.5	D362	S360-D362 WeakPolarHBondContact CB-O 3.31Å; S360-D362 PolarHBondContact O-N 2.86Å; S360-D362 PolarHBondContact OG-N 2.98Å; S360-D362 VanDerWaalsContact OG-N 3.1Å; S360-D362 PolarHBondContact OG-O 3.08Å
361	K	90.9	Very high	94.1	Very high	189 Å²	189	59.2 Å²	59.2	82%	0.822	28%	0.281	S	S	*	.	S	Bend	trans	-67.7	-24.8	171.3	-65	-172.5	177.4	-172.8	0	112.7
362	D	91.3	Very high	93.9	Very high	88 Å²	88	63.9 Å²	63.9	47%	0.471	31%	0.31	S	S	.	.	S	Bend	trans	-90.9	116.7	173.5	-179.1	-10.6	0	0	0	108.8	S360 E364 K365 L366	S360-D362 WeakPolarHBondContact CB-O 3.31Å; S360-D362 PolarHBondContact O-N 2.86Å; S360-D362 PolarHBondContact OG-N 2.98Å; S360-D362 VanDerWaalsContact OG-N 3.1Å; S360-D362 PolarHBondContact OG-O 3.08Å; D362-E364 VanDerWaalsContact C-N 3.3Å; D362-E364 PolarHBondContact O-N 2.85Å; D362-E364 PolarHBondContact OD1-N 2.71Å; D362-K365 HydrophobicContact CB-CB 4.11Å; D362-K365 PolarHBondContact O-N 2.88Å; D362-L366 PolarHBondContact O-N 3.37Å
363	H	86.7	Confident	93.7	Very high	100 Å²	100	64.4 Å²	64.4	46%	0.463	32%	0.316	S	S	.	.	H	α-helix	trans	-61	-35.3	179.2	-73.4	-176.7	0	0	0	112.6	K365 L366 F367	H363-K365 VanDerWaalsContact C-N 3.3Å; H363-K365 PolarHBondContact O-N 2.88Å; H363-L366 PolarHBondContact O-N 3.44Å; H363-F367 HydrophobicContact CB-CE2 4.08Å; H363-F367 HydrophobicContact CB-CZ 4.23Å; H363-F367 WeakPolarHBondContact O-CB 3.48Å; H363-F367 WeakPolarHBondContact O-CD2 3.17Å; H363-F367 WeakPolarHBondContact O-CG 3.39Å; H363-F367 PolarHBondContact O-N 3.21Å
364	E	86.9	Confident	93.6	Very high	113 Å²	113	69.5 Å²	69.5	53%	0.528	35%	0.347	S	S	.	.	H	α-helix	trans	-64.3	-42.2	178.8	-66.5	-171.6	173.1	0	0	110.2	D362 F367 E368	D362-E364 VanDerWaalsContact C-N 3.3Å; D362-E364 PolarHBondContact O-N 2.85Å; D362-E364 PolarHBondContact OD1-N 2.71Å; E364-F367 PolarHBondContact O-N 2.82Å; E364-E368 PolarHBondContact O-N 2.77Å
365	K	92	Very high	93.6	Very high	116 Å²	116	68.8 Å²	68.8	50%	0.504	34%	0.335	S	S	.	.	H	α-helix	trans	-70.8	-35.8	174.5	-175.6	175	-175.9	176.9	0	112.8	D362 H363 E368 L369	D362-K365 HydrophobicContact CB-CB 4.11Å; D362-K365 PolarHBondContact O-N 2.88Å; H363-K365 VanDerWaalsContact C-N 3.3Å; H363-K365 PolarHBondContact O-N 2.88Å; K365-E368 PolarHBondContact O-N 2.83Å; K365-L369 HydrophobicContact CG-CD1 4.47Å; K365-L369 VanDerWaalsContact O-CG 3.27Å; K365-L369 WeakPolarHBondContact O-CG 3.5Å; K365-L369 PolarHBondContact O-N 3.03Å
366	L	93.9	Very high	93.6	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-59.8	-48.9	173.7	175.6	60.6	0	0	0	110.3	P322 E323 F358 D362 H363 E368 L369 I370	P322-L366 HydrophobicContact CB-CD2 4.09Å; E323-L366 HydrophobicContact CG-CD2 3.96Å; F358-L366 HydrophobicContact CB-CD1 4.23Å; D362-L366 PolarHBondContact O-N 3.37Å; H363-L366 PolarHBondContact O-N 3.44Å; L366-E368 VanDerWaalsContact C-N 3.34Å; L366-E368 PolarHBondContact O-N 3.3Å; L366-L369 WeakPolarHBondContact O-CB 3.33Å; L366-L369 PolarHBondContact O-N 3.48Å; L366-L369 VanDerWaalsContact O-N 3.14Å; L366-I370 HydrophobicContact CD1-CD1 4.06Å; L366-I370 HydrophobicContact CD1-CG1 4.35Å; L366-I370 HydrophobicContact CG-CD1 3.97Å; L366-I370 WeakPolarHBondContact O-CG1 3.48Å; L366-I370 PolarHBondContact O-N 3.45Å
367	F	92.1	Very high	93.6	Very high	15 Å²	15	73 Å²	73	7%	0.066	35%	0.351	C	S	.	.	H	α-helix	trans	-63.2	-39.8	178	-60.7	-26.8	0	0	0	111.9	I31 P322 L330 H363 E364 L369 I370 L371	I31-F367 HydrophobicContact CB-CD2 4.27Å; I31-F367 HydrophobicContact CD1-CB 4.11Å; I31-F367 HydrophobicContact CD1-CD2 3.81Å; I31-F367 HydrophobicContact CD1-CE2 4.34Å; I31-F367 HydrophobicContact CD1-CG 3.91Å; I31-F367 HydrophobicContact CG1-CD2 3.64Å; I31-F367 HydrophobicContact CG1-CE2 3.83Å; I31-F367 HydrophobicContact CG1-CG 4.25Å; I31-F367 HydrophobicContact CG2-CD2 3.99Å; P322-F367 HydrophobicContact CB-CE1 3.96Å; P322-F367 HydrophobicContact CB-CZ 4.38Å; L330-F367 HydrophobicContact CD1-CB 4.18Å; L330-F367 HydrophobicContact CD1-CD1 3.91Å; L330-F367 HydrophobicContact CD1-CG 4.34Å; L330-F367 HydrophobicContact CD2-CD1 3.55Å; L330-F367 HydrophobicContact CD2-CE1 3.69Å; L330-F367 HydrophobicContact CD2-CG 4.16Å; L330-F367 HydrophobicContact CD2-CZ 4.4Å; L330-F367 HydrophobicContact CG-CD1 4.41Å; H363-F367 HydrophobicContact CB-CE2 4.08Å; H363-F367 HydrophobicContact CB-CZ 4.23Å; H363-F367 WeakPolarHBondContact O-CB 3.48Å; H363-F367 WeakPolarHBondContact O-CD2 3.17Å; H363-F367 WeakPolarHBondContact O-CG 3.39Å; H363-F367 PolarHBondContact O-N 3.21Å; E364-F367 PolarHBondContact O-N 2.82Å; F367-L369 VanDerWaalsContact C-N 3.33Å; F367-L369 PolarHBondContact O-N 3.4Å; F367-I370 PolarHBondContact O-N 2.99Å; F367-L371 WeakPolarHBondContact O-CB 3.3Å; F367-L371 WeakPolarHBondContact O-CG 3.31Å; F367-L371 PolarHBondContact O-N 3.13Å
368	E	93.2	Very high	93.4	Very high	121 Å²	121	73.4 Å²	73.4	57%	0.565	35%	0.354	S	S	*	.	H	α-helix	trans	-58.2	-44.2	172.1	-173.5	-173.1	174.6	0	0	111.9	E364 K365 L366 L371 T372	E364-E368 PolarHBondContact O-N 2.77Å; K365-E368 PolarHBondContact O-N 2.83Å; L366-E368 VanDerWaalsContact C-N 3.34Å; L366-E368 PolarHBondContact O-N 3.3Å; E368-L371 PolarHBondContact O-N 3.39Å; E368-T372 PolarHBondContact O-N 2.86Å; E368-T372 PolarHBondContact O-OG1 3.26Å
369	L	95.6	Very high	93.2	Very high	53 Å²	53	79.5 Å²	79.5	28%	0.277	39%	0.392	S	S	.	.	H	α-helix	trans	-63.9	-43.1	177	-71.1	169	0	0	0	111.9	F358 K365 L366 F367 L371 G373	F358-L369 HydrophobicContact CB-CB 4.14Å; F358-L369 HydrophobicContact CD1-CB 4.04Å; F358-L369 WeakPolarHBondContact CE1-O 3.34Å; F358-L369 HydrophobicContact CG-CB 4.38Å; K365-L369 HydrophobicContact CG-CD1 4.47Å; K365-L369 VanDerWaalsContact O-CG 3.27Å; K365-L369 WeakPolarHBondContact O-CG 3.5Å; K365-L369 PolarHBondContact O-N 3.03Å; L366-L369 WeakPolarHBondContact O-CB 3.33Å; L366-L369 PolarHBondContact O-N 3.48Å; L366-L369 VanDerWaalsContact O-N 3.14Å; F367-L369 VanDerWaalsContact C-N 3.33Å; F367-L369 PolarHBondContact O-N 3.4Å; L369-L371 VanDerWaalsContact C-N 3.33Å; L369-L371 PolarHBondContact O-N 3.01Å; L369-G373 WeakPolarHBondContact O-CA 3.44Å; L369-G373 PolarHBondContact O-N 3.07Å
370	I	95.2	Very high	93.2	Very high	0 Å²	0	78.7 Å²	78.7	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-64	-39.9	176.7	-66.8	167.8	0	0	0	110.6	P322 L325 P327 L330 W342 F358 L366 F367 K395	P322-I370 VanDerWaalsContact O-CD1 3.31Å; P322-I370 WeakPolarHBondContact O-CD1 2.8Å; L325-I370 WeakPolarHBondContact O-CG2 3.34Å; P327-I370 HydrophobicContact CG-CG2 3.98Å; L330-I370 HydrophobicContact CD1-CB 3.62Å; L330-I370 HydrophobicContact CD1-CD1 4.01Å; L330-I370 HydrophobicContact CD1-CG1 4.42Å; L330-I370 HydrophobicContact CD1-CG2 3.4Å; L330-I370 VanDerWaalsContact CD1-CG2 3.4Å; L330-I370 HydrophobicContact CG-CG2 4.48Å; W342-I370 HydrophobicContact CH2-CG2 4.46Å; W342-I370 HydrophobicContact CZ2-CG2 3.91Å; F358-I370 HydrophobicContact CB-CG1 4.03Å; F358-I370 HydrophobicContact CD2-CG1 3.96Å; F358-I370 HydrophobicContact CG-CG1 4.17Å; L366-I370 HydrophobicContact CD1-CD1 4.06Å; L366-I370 HydrophobicContact CD1-CG1 4.35Å; L366-I370 HydrophobicContact CG-CD1 3.97Å; L366-I370 WeakPolarHBondContact O-CG1 3.48Å; L366-I370 PolarHBondContact O-N 3.45Å; F367-I370 PolarHBondContact O-N 2.99Å; I370-K395 PolarHBondContact O-NZ 3.03Å
371	L	93.1	Very high	93.4	Very high	36 Å²	36	78.3 Å²	78.3	19%	0.188	39%	0.388	C	S	.	.	H	α-helix	trans	-76.8	-34	-178.7	-69	172.2	0	0	0	113.8	P327 L330 E331 F367 E368 L369 K395	P327-L371 HydrophobicContact CB-CD2 4.11Å; L330-L371 HydrophobicContact CB-CD2 4.03Å; L330-L371 HydrophobicContact CB-CG 4.46Å; L330-L371 HydrophobicContact CD1-CD2 4.45Å; L330-L371 HydrophobicContact CD1-CG 4.26Å; E331-L371 HydrophobicContact CG-CD2 3.63Å; F367-L371 WeakPolarHBondContact O-CB 3.3Å; F367-L371 WeakPolarHBondContact O-CG 3.31Å; F367-L371 PolarHBondContact O-N 3.13Å; E368-L371 PolarHBondContact O-N 3.39Å; L369-L371 VanDerWaalsContact C-N 3.33Å; L369-L371 PolarHBondContact O-N 3.01Å; L371-K395 WeakPolarHBondContact O-CD 3.32Å; L371-K395 WeakPolarHBondContact O-CE 3.3Å
372	T	93.6	Very high	93.7	Very high	98 Å²	98	70.8 Å²	70.8	60%	0.601	36%	0.359	S	S	*	.	H	α-helix	trans	-130.5	-22.6	-168.1	68	0	0	0	0	114.3	E368	E368-T372 PolarHBondContact O-N 2.86Å; E368-T372 PolarHBondContact O-OG1 3.26Å
373	G	93.8	Very high	94	Very high	15 Å²	15	70 Å²	70	16%	0.155	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-68.1	138.4	-176.9	0	0	0	0	0	113	F358 L369 K395	F358-G373 WeakPolarHBondContact CE1-O 2.88Å; L369-G373 WeakPolarHBondContact O-CA 3.44Å; L369-G373 PolarHBondContact O-N 3.07Å; G373-K395 WeakPolarHBondContact O-CE 3.07Å; G373-K395 PolarHBondContact O-NZ 3.29Å
374	T	94.8	Very high	94.6	Very high	122 Å²	122	69.6 Å²	69.6	75%	0.748	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-79.6	131.2	172.5	-45.7	0	0	0	0	110.5
375	V	95.9	Very high	95.2	Very high	22 Å²	22	64.2 Å²	64.2	13%	0.133	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-63.5	134.7	172.8	-175.9	0	0	0	0	109.4	Y349 P357 F358 F377 L393	Y349-V375 HydrophobicContact CD2-CG1 4.02Å; Y349-V375 HydrophobicContact CE2-CG1 3.68Å; P357-V375 HydrophobicContact CB-CG1 4.34Å; F358-V375 HydrophobicContact CE1-CG2 4.24Å; F358-V375 HydrophobicContact CE2-CG2 4.06Å; F358-V375 HydrophobicContact CZ-CG2 3.46Å; F358-V375 VanDerWaalsContact CZ-CG2 3.46Å; V375-F377 HydrophobicContact CB-CE2 4.46Å; V375-F377 HydrophobicContact CB-CZ 4.07Å; V375-F377 HydrophobicContact CG1-CD1 4.34Å; V375-F377 HydrophobicContact CG1-CE1 3.62Å; V375-F377 HydrophobicContact CG1-CE2 4.23Å; V375-F377 HydrophobicContact CG1-CZ 3.57Å; V375-L393 HydrophobicContact CG1-CD1 4.01Å; V375-L393 HydrophobicContact CG2-CB 3.94Å; V375-L393 HydrophobicContact CG2-CD1 4.03Å
376	R	96.1	Very high	95.5	Very high	199 Å²	199	61.7 Å²	61.7	75%	0.751	33%	0.327	S	S	*	.			trans	-112.4	131.6	178.4	-64	-174.1	-178.1	-160.9	0.3	110.8	Y349	Y349-R376 WeakPolarHBondContact CE2-O 3.31Å; Y349-R376 PolarHBondContact OH-O 3.04Å
377	F	96.5	Very high	95.7	Very high	60 Å²	60	64.8 Å²	64.8	26%	0.263	35%	0.348	S	S	.	.			trans	-105.9	134.8	-178.8	-56.9	-71.3	0	0	0	111.5	Y349 V375 L381 K386 L389 S390	Y349-F377 HydrophobicContact CD2-CD1 4.36Å; Y349-F377 HydrophobicContact CD2-CE1 4.14Å; Y349-F377 HydrophobicContact CE2-CD1 4.01Å; Y349-F377 HydrophobicContact CE2-CE1 4.1Å; V375-F377 HydrophobicContact CB-CE2 4.46Å; V375-F377 HydrophobicContact CB-CZ 4.07Å; V375-F377 HydrophobicContact CG1-CD1 4.34Å; V375-F377 HydrophobicContact CG1-CE1 3.62Å; V375-F377 HydrophobicContact CG1-CE2 4.23Å; V375-F377 HydrophobicContact CG1-CZ 3.57Å; F377-L381 HydrophobicContact CB-CD1 4.27Å; F377-L381 HydrophobicContact CD1-CD1 4.09Å; F377-K386 HydrophobicContact CB-CD 4.4Å; F377-K386 HydrophobicContact CB-CG 4.06Å; F377-K386 HydrophobicContact CG-CG 4.14Å; F377-L389 HydrophobicContact CD1-CD1 4.24Å; F377-L389 HydrophobicContact CE1-CB 3.62Å; F377-L389 HydrophobicContact CE1-CD1 4.02Å; F377-L389 HydrophobicContact CZ-CB 4.21Å; F377-S390 VanDerWaalsContact CE2-OG 3.26Å; F377-S390 WeakPolarHBondContact CE2-OG 3.37Å; F377-S390 VanDerWaalsContact CZ-OG 3.31Å; F377-S390 WeakPolarHBondContact CZ-OG 3.36Å
378	P	94.3	Very high	96	Very high	27 Å²	27	64 Å²	64	18%	0.175	35%	0.345	C	S	.	.			trans	-58.3	148.9	166.2	-23.2	34.2	0	0	0	111.7	C353 K380 L381 K386	C353-P378 HydrophobicContact CB-CG 4.41Å; P378-K380 HydrophobicContact CB-CG 3.86Å; P378-K380 PolarHBondContact O-N 3.25Å; P378-L381 PolarHBondContact O-N 3.19Å; P378-K386 WeakPolarHBondContact O-CE 3.34Å
379	T	93.7	Very high	96.3	Very high	137 Å²	137	58.3 Å²	58.3	84%	0.84	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-33.8	179	48.7	0	0	0	0	112.5	L381 K386	T379-L381 VanDerWaalsContact C-N 3.27Å; T379-L381 PolarHBondContact O-N 2.65Å; T379-K386 PolarHBondContact O-NZ 2.88Å; T379-K386 VanDerWaalsContact O-NZ 3.14Å
380	K	94.4	Very high	96.4	Very high	124 Å²	124	58.4 Å²	58.4	54%	0.539	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-18	-178.2	63.2	171.3	-175.3	168.6	0	115.9	P378	P378-K380 HydrophobicContact CB-CG 3.86Å; P378-K380 PolarHBondContact O-N 3.25Å
381	L	97	Very high	96.5	Very high	9 Å²	9	59.3 Å²	59.3	5%	0.047	33%	0.333	C	S	.	.	S	Bend	trans	-70.9	140.7	178.1	-70.9	177.4	0	0	0	110.9	E257 M352 F377 P378 T379 A385 K386 L389	E257-L381 WeakPolarHBondContact OE1-CA 3.39Å; M352-L381 HydrophobicContact CB-CD2 3.73Å; M352-L381 HydrophobicContact CG-CD2 4.49Å; M352-L381 HydrophobicContact SD-CD2 4.21Å; F377-L381 HydrophobicContact CB-CD1 4.27Å; F377-L381 HydrophobicContact CD1-CD1 4.09Å; P378-L381 PolarHBondContact O-N 3.19Å; T379-L381 VanDerWaalsContact C-N 3.27Å; T379-L381 PolarHBondContact O-N 2.65Å; L381-A385 HydrophobicContact CB-CB 4.46Å; L381-A385 HydrophobicContact CD2-CB 4.38Å; L381-K386 HydrophobicContact CB-CD 4.42Å; L381-K386 HydrophobicContact CB-CG 3.89Å; L381-K386 HydrophobicContact CD1-CG 4.45Å; L381-K386 WeakPolarHBondContact O-CE 3.25Å; L381-K386 PolarHBondContact O-NZ 2.8Å; L381-L389 HydrophobicContact CD1-CD1 4.11Å
382	S	97.9	Very high	96.8	Very high	32 Å²	32	57.6 Å²	57.6	22%	0.224	32%	0.324	C	S	.	.			trans	-60.7	163.8	173.3	69.5	0	0	0	0	112	E257 E384 A385 K386	E257-S382 VanDerWaalsContact CD-OG 3.31Å; E257-S382 PolarHBondContact OE1-N 2.92Å; E257-S382 PolarHBondContact OE1-OG 3.04Å; E257-S382 VanDerWaalsContact OE2-CB 3.23Å; E257-S382 WeakPolarHBondContact OE2-CB 3.32Å; E257-S382 PolarHBondContact OE2-OG 3.15Å; S382-E384 VanDerWaalsContact C-N 3.26Å; S382-E384 WeakPolarHBondContact CB-OE2 3.35Å; S382-E384 PolarHBondContact O-N 3.06Å; S382-A385 VanDerWaalsContact OG-CB 3.24Å; S382-A385 WeakPolarHBondContact OG-CB 3.5Å; S382-A385 PolarHBondContact OG-N 3.17Å; S382-K386 WeakPolarHBondContact O-CB 3.46Å; S382-K386 WeakPolarHBondContact O-CG 3.18Å; S382-K386 PolarHBondContact O-N 3.23Å; S382-K386 VanDerWaalsContact O-N 3.09Å
383	A	98.1	Very high	97	Very high	71 Å²	71	53.4 Å²	53.4	59%	0.587	30%	0.298	S	S	*	.	H	α-helix	trans	-65	-37.6	176.1	0	0	0	0	0	110.6	K386 S387	A383-K386 PolarHBondContact O-N 3Å; A383-S387 VanDerWaalsContact O-CB 3.3Å; A383-S387 WeakPolarHBondContact O-CB 3.46Å; A383-S387 PolarHBondContact O-N 2.88Å
384	E	98.3	Very high	97.2	Very high	91 Å²	91	54.6 Å²	54.6	43%	0.425	30%	0.302	S	S	.	.	H	α-helix	trans	-66.4	-45	179.3	-62.6	72.1	-160.7	0	0	111.2	S382 S387 L388 H414 P415 F416	S382-E384 VanDerWaalsContact C-N 3.26Å; S382-E384 WeakPolarHBondContact CB-OE2 3.35Å; S382-E384 PolarHBondContact O-N 3.06Å; E384-S387 PolarHBondContact O-N 3.28Å; E384-L388 PolarHBondContact O-N 3.32Å; E384-H414 PolarHBondContact O-CE1 3.25Å; E384-P415 HydrophobicContact CG-CB 4.23Å; E384-F416 HydrophobicContact CB-CB 4.31Å; E384-F416 HydrophobicContact CB-CD2 4.25Å
385	A	98.6	Very high	97.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.9	-45.6	175.9	0	0	0	0	0	111.5	M352 L381 S382 S387 L388 L389 F416	M352-A385 HydrophobicContact SD-CB 3.92Å; L381-A385 HydrophobicContact CB-CB 4.46Å; L381-A385 HydrophobicContact CD2-CB 4.38Å; S382-A385 VanDerWaalsContact OG-CB 3.24Å; S382-A385 WeakPolarHBondContact OG-CB 3.5Å; S382-A385 PolarHBondContact OG-N 3.17Å; A385-S387 VanDerWaalsContact C-N 3.32Å; A385-S387 PolarHBondContact O-N 3.31Å; A385-L388 PolarHBondContact O-N 2.62Å; A385-L389 WeakPolarHBondContact O-CB 3.38Å; A385-L389 VanDerWaalsContact O-CG 3.3Å; A385-L389 WeakPolarHBondContact O-CG 3.21Å; A385-L389 PolarHBondContact O-N 3.24Å; A385-F416 HydrophobicContact CB-CD2 4.09Å; A385-F416 HydrophobicContact CB-CE2 3.86Å
386	K	98.5	Very high	97.2	Very high	64 Å²	64	53.9 Å²	53.9	28%	0.278	29%	0.29	S	S	.	.	H	α-helix	trans	-60.7	-42.3	175.9	-73	172.1	-173.5	150.8	0	111.6	F377 P378 T379 L381 S382 A383 S390	F377-K386 HydrophobicContact CB-CD 4.4Å; F377-K386 HydrophobicContact CB-CG 4.06Å; F377-K386 HydrophobicContact CG-CG 4.14Å; P378-K386 WeakPolarHBondContact O-CE 3.34Å; T379-K386 PolarHBondContact O-NZ 2.88Å; T379-K386 VanDerWaalsContact O-NZ 3.14Å; L381-K386 HydrophobicContact CB-CD 4.42Å; L381-K386 HydrophobicContact CB-CG 3.89Å; L381-K386 HydrophobicContact CD1-CG 4.45Å; L381-K386 WeakPolarHBondContact O-CE 3.25Å; L381-K386 PolarHBondContact O-NZ 2.8Å; S382-K386 WeakPolarHBondContact O-CB 3.46Å; S382-K386 WeakPolarHBondContact O-CG 3.18Å; S382-K386 PolarHBondContact O-N 3.23Å; S382-K386 VanDerWaalsContact O-N 3.09Å; A383-K386 PolarHBondContact O-N 3Å; K386-S390 WeakPolarHBondContact O-CB 3.43Å; K386-S390 PolarHBondContact O-N 3.04Å; K386-S390 PolarHBondContact O-OG 3.28Å
387	S	98.4	Very high	97	Very high	64 Å²	64	46 Å²	46	45%	0.448	26%	0.264	S	S	.	.	H	α-helix	trans	-60.6	-49.8	177	-177.9	0	0	0	0	111.2	A383 E384 A385 S390 G391 H414	A383-S387 VanDerWaalsContact O-CB 3.3Å; A383-S387 WeakPolarHBondContact O-CB 3.46Å; A383-S387 PolarHBondContact O-N 2.88Å; E384-S387 PolarHBondContact O-N 3.28Å; A385-S387 VanDerWaalsContact C-N 3.32Å; A385-S387 PolarHBondContact O-N 3.31Å; S387-S390 PolarHBondContact O-N 3.25Å; S387-G391 PolarHBondContact O-N 2.81Å; S387-H414 PolarHBondContact OG-NE2 3.43Å
388	L	98.8	Very high	96.8	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.5	-53.6	179.8	179.1	65.7	0	0	0	111.1	M348 E384 A385 S390 G391 L392 L401 I411 H414 F416 F417	M348-L388 HydrophobicContact CE-CD2 3.51Å; M348-L388 HydrophobicContact SD-CD2 4.01Å; E384-L388 PolarHBondContact O-N 3.32Å; A385-L388 PolarHBondContact O-N 2.62Å; L388-S390 VanDerWaalsContact C-N 3.3Å; L388-S390 PolarHBondContact O-N 3.36Å; L388-G391 PolarHBondContact O-N 3.27Å; L388-G391 VanDerWaalsContact O-N 3.12Å; L388-L392 HydrophobicContact CD1-CD1 3.9Å; L388-L392 HydrophobicContact CD1-CG 4.17Å; L388-L392 HydrophobicContact CD2-CD1 4.43Å; L388-L392 HydrophobicContact CG-CD1 3.86Å; L388-L392 HydrophobicContact CG-CG 4.43Å; L388-L392 WeakPolarHBondContact O-CG 2.78Å; L388-L392 PolarHBondContact O-N 3.29Å; L388-L401 HydrophobicContact CD1-CD2 3.7Å; L388-I411 HydrophobicContact CD1-CG2 4.35Å; L388-H414 VanDerWaalsContact CA-CE1 3.48Å; L388-H414 WeakPolarHBondContact CA-CE1 3.2Å; L388-H414 HydrophobicContact CD1-CB 4.31Å; L388-H414 PolarHBondContact N-CE1 3.09Å; L388-H414 VanDerWaalsContact N-CE1 3.28Å; L388-H414 PolarHBondContact N-NE2 3.27Å; L388-F416 HydrophobicContact CB-CB 4.11Å; L388-F416 HydrophobicContact CB-CG 4.39Å; L388-F416 HydrophobicContact CD2-CB 3.99Å; L388-F416 HydrophobicContact CD2-CD1 3.36Å; L388-F416 HydrophobicContact CD2-CE1 3.91Å; L388-F416 HydrophobicContact CD2-CG 3.72Å; L388-F417 HydrophobicContact CD1-CE2 3.99Å; L388-F417 HydrophobicContact CD2-CD2 4.45Å; L388-F417 HydrophobicContact CD2-CE2 3.65Å; L388-F417 HydrophobicContact CD2-CZ 4Å
389	L	98.7	Very high	96.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-63.5	-37.2	-178.1	-65.6	176	0	0	0	112	M348 Y349 M352 F377 L381 A385 G391 L393	M348-L389 HydrophobicContact CB-CD2 3.93Å; Y349-L389 HydrophobicContact CD2-CD1 4.01Å; M352-L389 HydrophobicContact CE-CD1 3.72Å; M352-L389 HydrophobicContact CE-CD2 3.75Å; M352-L389 HydrophobicContact CE-CG 3.85Å; F377-L389 HydrophobicContact CD1-CD1 4.24Å; F377-L389 HydrophobicContact CE1-CB 3.62Å; F377-L389 HydrophobicContact CE1-CD1 4.02Å; F377-L389 HydrophobicContact CZ-CB 4.21Å; L381-L389 HydrophobicContact CD1-CD1 4.11Å; A385-L389 WeakPolarHBondContact O-CB 3.38Å; A385-L389 VanDerWaalsContact O-CG 3.3Å; A385-L389 WeakPolarHBondContact O-CG 3.21Å; A385-L389 PolarHBondContact O-N 3.24Å; L389-G391 VanDerWaalsContact C-N 3.29Å; L389-G391 PolarHBondContact O-N 3.46Å; L389-L393 VanDerWaalsContact O-CB 3.25Å; L389-L393 WeakPolarHBondContact O-CB 3.48Å; L389-L393 WeakPolarHBondContact O-CG 3.31Å; L389-L393 PolarHBondContact O-N 3.18Å
390	S	98.2	Very high	97	Very high	56 Å²	56	45.9 Å²	45.9	39%	0.392	26%	0.263	S	S	.	.	H	α-helix	trans	-64.9	-35.3	175.9	-60.4	0	0	0	0	111.9	F377 K386 S387 L388 V394	F377-S390 VanDerWaalsContact CE2-OG 3.26Å; F377-S390 WeakPolarHBondContact CE2-OG 3.37Å; F377-S390 VanDerWaalsContact CZ-OG 3.31Å; F377-S390 WeakPolarHBondContact CZ-OG 3.36Å; K386-S390 WeakPolarHBondContact O-CB 3.43Å; K386-S390 PolarHBondContact O-N 3.04Å; K386-S390 PolarHBondContact O-OG 3.28Å; S387-S390 PolarHBondContact O-N 3.25Å; L388-S390 VanDerWaalsContact C-N 3.3Å; L388-S390 PolarHBondContact O-N 3.36Å; S390-V394 WeakPolarHBondContact O-CG2 3.45Å
391	G	98.4	Very high	97.2	Very high	19 Å²	19	41.5 Å²	41.5	20%	0.196	25%	0.246	C	C	.	.	H	α-helix	trans	-73.6	-42.1	176.1	0	0	0	0	0	113.6	S387 L388 L389 V394 R400 L401	S387-G391 PolarHBondContact O-N 2.81Å; L388-G391 PolarHBondContact O-N 3.27Å; L388-G391 VanDerWaalsContact O-N 3.12Å; L389-G391 VanDerWaalsContact C-N 3.29Å; L389-G391 PolarHBondContact O-N 3.46Å; G391-V394 WeakPolarHBondContact O-CG2 3.4Å; G391-R400 WeakPolarHBondContact O-CG 3.43Å; G391-L401 PolarHBondContact O-N 3.03Å
392	L	98.6	Very high	97.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-71.7	-32.6	178.7	-67.8	173.6	0	0	0	112.6	W341 T344 M348 L388 V394 R400 L401 I411	W341-L392 HydrophobicContact CB-CD2 4.06Å; T344-L392 HydrophobicContact CG2-CD1 4.48Å; M348-L392 HydrophobicContact SD-CD1 4.33Å; L388-L392 HydrophobicContact CD1-CD1 3.9Å; L388-L392 HydrophobicContact CD1-CG 4.17Å; L388-L392 HydrophobicContact CD2-CD1 4.43Å; L388-L392 HydrophobicContact CG-CD1 3.86Å; L388-L392 HydrophobicContact CG-CG 4.43Å; L388-L392 WeakPolarHBondContact O-CG 2.78Å; L388-L392 PolarHBondContact O-N 3.29Å; L392-V394 VanDerWaalsContact C-N 3.34Å; L392-R400 WeakPolarHBondContact O-CD 3.33Å; L392-R400 VanDerWaalsContact O-CG 3.31Å; L392-R400 WeakPolarHBondContact O-CG 3.5Å; L392-L401 HydrophobicContact CD2-CB 4.35Å; L392-L401 HydrophobicContact CD2-CD2 4.28Å; L392-L401 HydrophobicContact CG-CD2 4.37Å; L392-I411 HydrophobicContact CD2-CD1 3.8Å; L392-I411 HydrophobicContact CD2-CG1 4.1Å
393	L	98.5	Very high	97	Very high	9 Å²	9	40.5 Å²	40.5	5%	0.047	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	25.3	-179	-59.9	173	0	0	0	113.1	W342 V346 Y349 P357 V375 L389	W342-L393 HydrophobicContact CD2-CD2 4.09Å; W342-L393 HydrophobicContact CE3-CD2 4.15Å; W342-L393 HydrophobicContact CH2-CD2 4.45Å; W342-L393 HydrophobicContact CZ2-CD2 4.37Å; W342-L393 HydrophobicContact CZ3-CB 4.28Å; W342-L393 HydrophobicContact CZ3-CD2 4.35Å; W342-L393 WeakPolarHBondContact CZ3-O 3.22Å; V346-L393 HydrophobicContact CG2-CD2 3.78Å; Y349-L393 HydrophobicContact CD2-CD1 4.24Å; P357-L393 HydrophobicContact CB-CD1 4.25Å; P357-L393 HydrophobicContact CG-CD1 4.48Å; V375-L393 HydrophobicContact CG1-CD1 4.01Å; V375-L393 HydrophobicContact CG2-CB 3.94Å; V375-L393 HydrophobicContact CG2-CD1 4.03Å; L389-L393 VanDerWaalsContact O-CB 3.25Å; L389-L393 WeakPolarHBondContact O-CB 3.48Å; L389-L393 WeakPolarHBondContact O-CG 3.31Å; L389-L393 PolarHBondContact O-N 3.18Å
394	V	97.8	Very high	96.7	Very high	41 Å²	41	37.8 Å²	37.8	25%	0.248	22%	0.22	C	C	.	.			trans	-67.8	132.4	167.5	175.7	0	0	0	0	109.2	S390 G391 L392 D396 T399 R400	S390-V394 WeakPolarHBondContact O-CG2 3.45Å; G391-V394 WeakPolarHBondContact O-CG2 3.4Å; L392-V394 VanDerWaalsContact C-N 3.34Å; V394-D396 WeakPolarHBondContact CG1-O 3.31Å; V394-T399 WeakPolarHBondContact CG1-OG1 3.21Å; V394-R400 HydrophobicContact CB-CB 4.15Å; V394-R400 HydrophobicContact CB-CG 4.38Å; V394-R400 PolarHBondContact O-NE 2.99Å; V394-R400 PolarHBondContact O-NH2 2.83Å
395	K	95.5	Very high	96.4	Very high	57 Å²	57	37.9 Å²	37.9	25%	0.248	23%	0.228	C	C	.	.	S	Bend	trans	-73.8	-39.5	-175.3	-58.1	-166.9	-173.6	-64.4	0	113.7	P327 I370 L371 G373 P397 R400	P327-K395 HydrophobicContact CB-CB 4.47Å; P327-K395 HydrophobicContact CG-CB 4.13Å; P327-K395 HydrophobicContact CG-CG 4.28Å; I370-K395 PolarHBondContact O-NZ 3.03Å; L371-K395 WeakPolarHBondContact O-CD 3.32Å; L371-K395 WeakPolarHBondContact O-CE 3.3Å; G373-K395 WeakPolarHBondContact O-CE 3.07Å; G373-K395 PolarHBondContact O-NZ 3.29Å; K395-P397 WeakPolarHBondContact O-CD 3.3Å; K395-R400 PolarHBondContact O-NH2 3.45Å
396	D	93.9	Very high	96.3	Very high	71 Å²	71	42.5 Å²	42.5	38%	0.38	25%	0.25	S	C	.	.	S	Bend	trans	-73.5	115.2	173.4	169.6	23	0	0	0	109.2	V394 N398 T399 R400	V394-D396 WeakPolarHBondContact CG1-O 3.31Å; D396-N398 PolarHBondContact O-N 2.99Å; D396-N398 PolarHBondContact OD1-N 3.43Å; D396-N398 PolarHBondContact OD1-ND2 3.11Å; D396-T399 WeakPolarHBondContact CB-OG1 3.36Å; D396-T399 PolarHBondContact O-N 3.3Å; D396-T399 PolarHBondContact O-OG1 3.35Å; D396-T399 PolarHBondContact OD2-OG1 3.02Å; D396-T399 VanDerWaalsContact OD2-OG1 3.07Å; D396-R400 PolarHBondContact O-N 3.48Å
397	P	93.2	Very high	96.2	Very high	33 Å²	33	40 Å²	40	21%	0.214	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-61.1	-27.3	-177.9	25	-34.5	0	0	0	112.3	E328 A338 K395 T399 R400 A403	E328-P397 HydrophobicContact CB-CG 4.13Å; E328-P397 HydrophobicContact CG-CB 4.36Å; E328-P397 HydrophobicContact CG-CG 4.23Å; A338-P397 HydrophobicContact CB-CB 4.11Å; K395-P397 WeakPolarHBondContact O-CD 3.3Å; P397-T399 VanDerWaalsContact C-N 3.27Å; P397-T399 PolarHBondContact O-N 3.09Å; P397-R400 PolarHBondContact O-N 3.17Å; P397-A403 WeakPolarHBondContact O-CB 3.29Å
398	N	91.6	Very high	96.1	Very high	124 Å²	124	37.1 Å²	37.1	66%	0.663	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-75.6	-16.6	-176.1	-52.2	-72	0	0	0	113.7	D396	D396-N398 PolarHBondContact O-N 2.99Å; D396-N398 PolarHBondContact OD1-N 3.43Å; D396-N398 PolarHBondContact OD1-ND2 3.11Å
399	T	95.5	Very high	96.1	Very high	94 Å²	94	43.2 Å²	43.2	58%	0.577	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-114	4.2	179.5	51.2	0	0	0	0	112.3	V394 D396 P397	V394-T399 WeakPolarHBondContact CG1-OG1 3.21Å; D396-T399 WeakPolarHBondContact CB-OG1 3.36Å; D396-T399 PolarHBondContact O-N 3.3Å; D396-T399 PolarHBondContact O-OG1 3.35Å; D396-T399 PolarHBondContact OD2-OG1 3.02Å; D396-T399 VanDerWaalsContact OD2-OG1 3.07Å; P397-T399 VanDerWaalsContact C-N 3.27Å; P397-T399 PolarHBondContact O-N 3.09Å
400	R	97.7	Very high	96	Very high	4 Å²	4	45.7 Å²	45.7	2%	0.015	25%	0.254	C	S	.	.	S	Bend	trans	-71.8	142	174.8	-170.6	-179.8	-62.1	143.9	7.5	110.4	E328 A338 G391 L392 V394 K395 D396 P397 G402 A403	E328-R400 IonicContact OE1-CZ 2.76Å; E328-R400 IonicContact OE1-NH1 3.73Å; E328-R400 PolarHBondContact OE1-NH1 2.61Å; E328-R400 IonicContact OE1-NH2 2.83Å; E328-R400 PolarHBondContact OE1-NH2 3.27Å; E328-R400 IonicContact OE2-CZ 3.9Å; E328-R400 IonicContact OE2-NH1 3.23Å; E328-R400 IonicContact OE2-NH2 3.03Å; E328-R400 PolarHBondContact OE2-NH2 2.77Å; A338-R400 PolarHBondContact O-NH1 2.73Å; G391-R400 WeakPolarHBondContact O-CG 3.43Å; L392-R400 WeakPolarHBondContact O-CD 3.33Å; L392-R400 VanDerWaalsContact O-CG 3.31Å; L392-R400 WeakPolarHBondContact O-CG 3.5Å; V394-R400 HydrophobicContact CB-CB 4.15Å; V394-R400 HydrophobicContact CB-CG 4.38Å; V394-R400 PolarHBondContact O-NE 2.99Å; V394-R400 PolarHBondContact O-NH2 2.83Å; K395-R400 PolarHBondContact O-NH2 3.45Å; D396-R400 PolarHBondContact O-N 3.48Å; P397-R400 PolarHBondContact O-N 3.17Å; R400-G402 PolarHBondContact O-N 3.26Å; R400-A403 HydrophobicContact CB-CB 4.19Å; R400-A403 WeakPolarHBondContact O-CB 3.5Å; R400-A403 PolarHBondContact O-N 3.09Å
401	L	98.4	Very high	96.1	Very high	33 Å²	33	43 Å²	43	17%	0.173	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	127	174.8	-176.6	69.1	0	0	0	110	L388 G391 L392 E410 I411	L388-L401 HydrophobicContact CD1-CD2 3.7Å; G391-L401 PolarHBondContact O-N 3.03Å; L392-L401 HydrophobicContact CD2-CB 4.35Å; L392-L401 HydrophobicContact CD2-CD2 4.28Å; L392-L401 HydrophobicContact CG-CD2 4.37Å; L401-E410 HydrophobicContact CD1-CB 4.03Å; L401-I411 HydrophobicContact CD2-CG1 4.13Å; L401-I411 HydrophobicContact CG-CG1 3.9Å
402	G	97.4	Very high	96.1	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	3.8	-176.9	0	0	0	0	0	114.5	W341 R400 D407 E410	W341-G402 VanDerWaalsContact CD1-C 3.45Å; W341-G402 PolarHBondContact NE1-O 2.82Å; R400-G402 PolarHBondContact O-N 3.26Å; G402-D407 VanDerWaalsContact CA-O 3.31Å; G402-D407 WeakPolarHBondContact CA-O 3.38Å; G402-D407 WeakPolarHBondContact O-CA 3.46Å; G402-E410 WeakPolarHBondContact CA-OE2 3.28Å; G402-E410 PolarHBondContact N-OE2 3.23Å
403	A	92.5	Very high	96	Very high	19 Å²	19	49.4 Å²	49.4	16%	0.157	26%	0.263	C	S	.	.			trans	-89.8	-10.6	177	0	0	0	0	0	114.3	A338 P397 R400	A338-A403 HydrophobicContact CB-CB 3.77Å; P397-A403 WeakPolarHBondContact O-CB 3.29Å; R400-A403 HydrophobicContact CB-CB 4.19Å; R400-A403 WeakPolarHBondContact O-CB 3.5Å; R400-A403 PolarHBondContact O-N 3.09Å
404	G	92.1	Very high	96.1	Very high	15 Å²	15	49.9 Å²	49.9	16%	0.155	27%	0.265	C	S	.	.	S	Bend	trans	-71.7	178.6	174.3	0	0	0	0	0	112.8	E406 D407 E410	G404-E406 PolarHBondContact O-N 3.09Å; G404-D407 PolarHBondContact O-N 3.11Å; G404-E410 VanDerWaalsContact CA-OE1 3.31Å; G404-E410 WeakPolarHBondContact CA-OE1 3.41Å
405	P	92.7	Very high	96.1	Very high	92 Å²	92	51.6 Å²	51.6	60%	0.597	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.4	-179.4	26.9	-35.2	0	0	0	113.5	F311 D407	F311-P405 HydrophobicContact CD1-CB 4.4Å; F311-P405 HydrophobicContact CE1-CB 3.96Å; F311-P405 HydrophobicContact CE2-CB 4.26Å; F311-P405 HydrophobicContact CZ-CB 3.88Å; P405-D407 VanDerWaalsContact C-N 3.28Å
406	E	95.1	Very high	96.2	Very high	97 Å²	97	49 Å²	49	45%	0.453	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-10.5	177.9	-60.6	-69.1	126.3	0	0	112.5	G404 A408 R409 E410	G404-E406 PolarHBondContact O-N 3.09Å; E406-A408 PolarHBondContact O-N 3.21Å; E406-R409 HydrophobicContact CB-CB 4.31Å; E406-R409 WeakPolarHBondContact O-CB 3.34Å; E406-R409 PolarHBondContact O-N 2.84Å; E406-R409 IonicContact OE2-CZ 2.88Å; E406-R409 IonicContact OE2-NE 2.68Å; E406-R409 PolarHBondContact OE2-NE 2.85Å; E406-R409 IonicContact OE2-NH2 3.49Å; E406-R409 PolarHBondContact OE2-NH2 3.49Å; E406-E410 HydrophobicContact CB-CG 3.78Å
407	D	96.6	Very high	96.5	Very high	13 Å²	13	45.7 Å²	45.7	7%	0.07	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	-125.6	170.5	-160.3	-86.4	0	0	0	112.2	H275 R337 W341 G402 G404 P405 R409 E410	H275-D407 IonicContact CE1-OD1 2.69Å; H275-D407 IonicContact CG-OD1 3.1Å; H275-D407 IonicContact ND1-OD1 3.99Å; H275-D407 PolarHBondContact ND1-OD1 3.36Å; H275-D407 IonicContact ND1-OD2 2.82Å; H275-D407 PolarHBondContact ND1-OD2 2.91Å; R337-D407 WeakPolarHBondContact CD-OD2 3.45Å; W341-D407 VanDerWaalsContact CZ2-OD1 3.25Å; W341-D407 WeakPolarHBondContact CZ2-OD1 3.34Å; G402-D407 VanDerWaalsContact CA-O 3.31Å; G402-D407 WeakPolarHBondContact CA-O 3.38Å; G402-D407 WeakPolarHBondContact O-CA 3.46Å; G404-D407 PolarHBondContact O-N 3.11Å; P405-D407 VanDerWaalsContact C-N 3.28Å; D407-R409 PolarHBondContact O-N 2.69Å; D407-E410 PolarHBondContact O-N 3.39Å; D407-E410 VanDerWaalsContact O-N 3.16Å
408	A	97.9	Very high	96.7	Very high	2 Å²	2	49.4 Å²	49.4	2%	0.017	27%	0.27	C	S	.	.	H	α-helix	trans	-50.9	-30.5	177.7	0	0	0	0	0	114.2	V268 S272 W341 E406 E410 I411 M412	V268-A408 HydrophobicContact CG1-CB 4.38Å; S272-A408 VanDerWaalsContact CB-CB 3.48Å; S272-A408 WeakPolarHBondContact OG-CB 3.42Å; W341-A408 HydrophobicContact CH2-CB 3.69Å; W341-A408 HydrophobicContact CZ2-CB 3.67Å; E406-A408 PolarHBondContact O-N 3.21Å; A408-E410 PolarHBondContact O-N 3.08Å; A408-I411 WeakPolarHBondContact O-CA 3.4Å; A408-I411 WeakPolarHBondContact O-CB 3.47Å; A408-I411 PolarHBondContact O-N 3.31Å; A408-M412 HydrophobicContact CB-SD 4.45Å; A408-M412 VanDerWaalsContact O-CG 3.29Å; A408-M412 WeakPolarHBondContact O-CG 3.38Å; A408-M412 PolarHBondContact O-N 3.36Å
409	R	97.6	Very high	97	Very high	129 Å²	129	48 Å²	48	49%	0.487	27%	0.267	S	S	.	.	H	α-helix	trans	-62.1	-32.8	-176.9	-159.5	-177.8	85.4	83.1	-2.5	112.3	E406 D407 I411 M412 I413	E406-R409 HydrophobicContact CB-CB 4.31Å; E406-R409 WeakPolarHBondContact O-CB 3.34Å; E406-R409 PolarHBondContact O-N 2.84Å; E406-R409 IonicContact OE2-CZ 2.88Å; E406-R409 IonicContact OE2-NE 2.68Å; E406-R409 PolarHBondContact OE2-NE 2.85Å; E406-R409 IonicContact OE2-NH2 3.49Å; E406-R409 PolarHBondContact OE2-NH2 3.49Å; D407-R409 PolarHBondContact O-N 2.69Å; R409-I411 VanDerWaalsContact C-N 3.27Å; R409-I411 PolarHBondContact O-N 2.91Å; R409-M412 PolarHBondContact O-N 3.03Å; R409-I413 WeakPolarHBondContact O-CG1 3.49Å; R409-I413 PolarHBondContact O-N 3.35Å
410	E	97.9	Very high	97.1	Very high	52 Å²	52	44.7 Å²	44.7	24%	0.243	25%	0.246	C	C	.	.	H	α-helix	trans	-62	-38.6	175.2	-59.6	-175.4	178.4	0	0	111.5	L401 G402 G404 E406 D407 A408	L401-E410 HydrophobicContact CD1-CB 4.03Å; G402-E410 WeakPolarHBondContact CA-OE2 3.28Å; G402-E410 PolarHBondContact N-OE2 3.23Å; G404-E410 VanDerWaalsContact CA-OE1 3.31Å; G404-E410 WeakPolarHBondContact CA-OE1 3.41Å; E406-E410 HydrophobicContact CB-CG 3.78Å; D407-E410 PolarHBondContact O-N 3.39Å; D407-E410 VanDerWaalsContact O-N 3.16Å; A408-E410 PolarHBondContact O-N 3.08Å
411	I	98.6	Very high	97.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-74	-42.6	177.8	-58.2	167.3	0	0	0	109.6	V268 W341 L388 L392 L401 A408 R409 I413 H414 F417	V268-I411 HydrophobicContact CG1-CB 4.45Å; V268-I411 HydrophobicContact CG1-CG2 4.26Å; V268-I411 HydrophobicContact CG2-CG2 3.75Å; W341-I411 HydrophobicContact CB-CD1 4.26Å; W341-I411 HydrophobicContact CD2-CD1 3.24Å; W341-I411 HydrophobicContact CE3-CD1 3.21Å; W341-I411 HydrophobicContact CG-CD1 3.72Å; W341-I411 HydrophobicContact CH2-CD1 4.1Å; W341-I411 HydrophobicContact CZ2-CD1 4.11Å; W341-I411 HydrophobicContact CZ3-CD1 3.66Å; L388-I411 HydrophobicContact CD1-CG2 4.35Å; L392-I411 HydrophobicContact CD2-CD1 3.8Å; L392-I411 HydrophobicContact CD2-CG1 4.1Å; L401-I411 HydrophobicContact CD2-CG1 4.13Å; L401-I411 HydrophobicContact CG-CG1 3.9Å; A408-I411 WeakPolarHBondContact O-CA 3.4Å; A408-I411 WeakPolarHBondContact O-CB 3.47Å; A408-I411 PolarHBondContact O-N 3.31Å; R409-I411 VanDerWaalsContact C-N 3.27Å; R409-I411 PolarHBondContact O-N 2.91Å; I411-I413 VanDerWaalsContact C-N 3.26Å; I411-I413 PolarHBondContact O-N 3.29Å; I411-H414 WeakPolarHBondContact O-CB 3.42Å; I411-H414 PolarHBondContact O-N 3.18Å; I411-F417 HydrophobicContact CG2-CD2 4.16Å; I411-F417 HydrophobicContact CG2-CE2 3.64Å; I411-F417 WeakPolarHBondContact O-CD2 3.31Å
412	M	98.5	Very high	97.2	Very high	46 Å²	46	49.3 Å²	49.3	23%	0.227	27%	0.267	C	S	.	.	H	α-helix	trans	-61	-32.5	-177	-68.3	169.5	80.1	0	0	113.7	V268 A408 R409 W422	V268-M412 HydrophobicContact CG1-CG 3.92Å; A408-M412 HydrophobicContact CB-SD 4.45Å; A408-M412 VanDerWaalsContact O-CG 3.29Å; A408-M412 WeakPolarHBondContact O-CG 3.38Å; A408-M412 PolarHBondContact O-N 3.36Å; R409-M412 PolarHBondContact O-N 3.03Å; M412-W422 HydrophobicContact CB-CD2 4.26Å; M412-W422 HydrophobicContact CB-CH2 4.23Å; M412-W422 HydrophobicContact CB-CZ2 3.64Å; M412-W422 HydrophobicContact CE-CB 3.84Å; M412-W422 HydrophobicContact CE-CD2 3.34Å; M412-W422 HydrophobicContact CE-CE3 3.57Å; M412-W422 HydrophobicContact CE-CG 3.44Å; M412-W422 VanDerWaalsContact CE-CG 3.44Å; M412-W422 HydrophobicContact CE-CZ3 4.31Å; M412-W422 HydrophobicContact CG-CD2 3.97Å; M412-W422 HydrophobicContact CG-CE3 4.06Å; M412-W422 HydrophobicContact CG-CH2 3.68Å; M412-W422 HydrophobicContact CG-CZ2 3.61Å; M412-W422 HydrophobicContact CG-CZ3 3.9Å; M412-W422 PolarHBondContact O-NE1 3.05Å; M412-W422 HydrophobicContact SD-CD2 4.5Å
413	I	98	Very high	97.2	Very high	107 Å²	107	54.4 Å²	54.4	55%	0.549	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.3	178.5	69.8	179.2	0	0	0	113.5	R409 I411	R409-I413 WeakPolarHBondContact O-CG1 3.49Å; R409-I413 PolarHBondContact O-N 3.35Å; I411-I413 VanDerWaalsContact C-N 3.26Å; I411-I413 PolarHBondContact O-N 3.29Å
414	H	98.7	Very high	97.5	Very high	19 Å²	19	53.8 Å²	53.8	9%	0.088	29%	0.286	C	S	.	.	S	Bend	trans	-64.4	141.9	-179.2	-174.9	-87.4	0	0	0	110.6	E384 S387 L388 I411 F416 F417	E384-H414 PolarHBondContact O-CE1 3.25Å; S387-H414 PolarHBondContact OG-NE2 3.43Å; L388-H414 VanDerWaalsContact CA-CE1 3.48Å; L388-H414 WeakPolarHBondContact CA-CE1 3.2Å; L388-H414 HydrophobicContact CD1-CB 4.31Å; L388-H414 PolarHBondContact N-CE1 3.09Å; L388-H414 VanDerWaalsContact N-CE1 3.28Å; L388-H414 PolarHBondContact N-NE2 3.27Å; I411-H414 WeakPolarHBondContact O-CB 3.42Å; I411-H414 PolarHBondContact O-N 3.18Å; H414-F416 WeakPolarHBondContact ND1-CB 3.48Å; H414-F416 PolarHBondContact ND1-N 3.1Å; H414-F416 PolarHBondContact O-N 2.82Å; H414-F417 PolarHBondContact O-N 3.13Å
415	P	98.6	Very high	97.8	Very high	77 Å²	77	53.2 Å²	53.2	50%	0.5	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-49.8	-31.8	-177.3	-33	37.1	0	0	0	115.7	E384 F417 V418	E384-P415 HydrophobicContact CG-CB 4.23Å; P415-F417 PolarHBondContact O-N 2.93Å; P415-V418 WeakPolarHBondContact O-CG2 3.41Å; P415-V418 PolarHBondContact O-N 2.82Å
416	F	98.8	Very high	98	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.009	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-59.8	-31.9	176	-174.4	-97.6	0	0	0	113.6	E257 R261 M348 M352 E384 A385 L388 H414	E257-F416 HydrophobicContact CB-CE2 4.28Å; R261-F416 HydrophobicContact CB-CD1 4.43Å; R261-F416 HydrophobicContact CB-CE1 3.62Å; R261-F416 HydrophobicContact CB-CZ 3.88Å; R261-F416 VanDerWaalsContact CD-O 3.31Å; R261-F416 WeakPolarHBondContact CD-O 3.27Å; R261-F416 HydrophobicContact CG-CD1 4.2Å; R261-F416 HydrophobicContact CG-CE1 3.87Å; R261-F416 HydrophobicContact CG-CZ 4.48Å; R261-F416 PolarHBondContact NE-O 3.27Å; M348-F416 HydrophobicContact CE-CD1 4.17Å; M348-F416 HydrophobicContact CE-CE1 3.52Å; M348-F416 HydrophobicContact CE-CZ 4.23Å; M352-F416 HydrophobicContact SD-CE2 4.29Å; M352-F416 HydrophobicContact SD-CZ 4.18Å; E384-F416 HydrophobicContact CB-CB 4.31Å; E384-F416 HydrophobicContact CB-CD2 4.25Å; A385-F416 HydrophobicContact CB-CD2 4.09Å; A385-F416 HydrophobicContact CB-CE2 3.86Å; L388-F416 HydrophobicContact CB-CB 4.11Å; L388-F416 HydrophobicContact CB-CG 4.39Å; L388-F416 HydrophobicContact CD2-CB 3.99Å; L388-F416 HydrophobicContact CD2-CD1 3.36Å; L388-F416 HydrophobicContact CD2-CE1 3.91Å; L388-F416 HydrophobicContact CD2-CG 3.72Å; H414-F416 WeakPolarHBondContact ND1-CB 3.48Å; H414-F416 PolarHBondContact ND1-N 3.1Å; H414-F416 PolarHBondContact O-N 2.82Å
417	F	98.7	Very high	98.2	Very high	1 Å²	1	53.3 Å²	53.3	0%	0.004	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-100.4	5	-177.5	-68	-69.3	0	0	0	114.1	R261 A265 V268 M348 L388 I411 H414 P415 P419 I420 W422	R261-F417 HydrophobicContact CG-CD1 3.84Å; R261-F417 HydrophobicContact CG-CE1 4.15Å; A265-F417 HydrophobicContact CB-CD1 4.09Å; A265-F417 HydrophobicContact CB-CE1 3.97Å; V268-F417 HydrophobicContact CG2-CZ 4.49Å; M348-F417 HydrophobicContact CE-CE1 4.38Å; M348-F417 HydrophobicContact CE-CZ 3.78Å; M348-F417 HydrophobicContact SD-CZ 4.21Å; L388-F417 HydrophobicContact CD1-CE2 3.99Å; L388-F417 HydrophobicContact CD2-CD2 4.45Å; L388-F417 HydrophobicContact CD2-CE2 3.65Å; L388-F417 HydrophobicContact CD2-CZ 4Å; I411-F417 HydrophobicContact CG2-CD2 4.16Å; I411-F417 HydrophobicContact CG2-CE2 3.64Å; I411-F417 WeakPolarHBondContact O-CD2 3.31Å; H414-F417 PolarHBondContact O-N 3.13Å; P415-F417 PolarHBondContact O-N 2.93Å; F417-P419 VanDerWaalsContact C-N 3.25Å; F417-P419 VanDerWaalsContact O-N 3.11Å; F417-I420 HydrophobicContact CB-CG1 4.5Å; F417-I420 HydrophobicContact CD1-CG1 4.15Å; F417-I420 WeakPolarHBondContact O-CB 3.46Å; F417-I420 PolarHBondContact O-N 3.23Å; F417-W422 HydrophobicContact CB-CZ2 3.9Å; F417-W422 HydrophobicContact CD1-CH2 4.41Å; F417-W422 HydrophobicContact CD1-CZ2 4.29Å; F417-W422 HydrophobicContact CG-CH2 4.46Å; F417-W422 HydrophobicContact CG-CZ2 4.04Å
418	V	98	Very high	98.2	Very high	112 Å²	112	56.4 Å²	56.4	68%	0.679	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.1	-38.7	177.4	165.3	0	0	0	0	114.2	P415 I420	P415-V418 WeakPolarHBondContact O-CG2 3.41Å; P415-V418 PolarHBondContact O-N 2.82Å; V418-I420 PolarHBondContact O-N 3.5Å
419	P	97.2	Very high	98.2	Very high	95 Å²	95	64 Å²	64	62%	0.617	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-8.9	178.4	-21.7	34.9	0	0	0	115.6	F417	F417-P419 VanDerWaalsContact C-N 3.25Å; F417-P419 VanDerWaalsContact O-N 3.11Å
420	I	98.5	Very high	98.2	Very high	23 Å²	23	60 Å²	60	12%	0.118	30%	0.295	C	S	.	.			trans	-88.6	120.7	-173.4	-59.1	-58.8	0	0	0	110.8	R261 A265 F417 V418 W422 L425 I430	R261-I420 HydrophobicContact CG-CD1 4.05Å; R261-I420 HydrophobicContact CG-CG1 4.04Å; A265-I420 HydrophobicContact CB-CD1 4.35Å; A265-I420 HydrophobicContact CB-CG1 4.1Å; A265-I420 HydrophobicContact CB-CG2 4.09Å; F417-I420 HydrophobicContact CB-CG1 4.5Å; F417-I420 HydrophobicContact CD1-CG1 4.15Å; F417-I420 WeakPolarHBondContact O-CB 3.46Å; F417-I420 PolarHBondContact O-N 3.23Å; V418-I420 PolarHBondContact O-N 3.5Å; I420-W422 HydrophobicContact CG2-CD2 4.04Å; I420-W422 HydrophobicContact CG2-CE3 4.42Å; I420-W422 HydrophobicContact CG2-CG 4.31Å; I420-W422 HydrophobicContact CG2-CZ2 4.41Å; I420-W422 PolarHBondContact O-N 3.45Å; I420-L425 HydrophobicContact CG2-CB 4.38Å; I420-L425 HydrophobicContact CG2-CD2 4.22Å; I420-I430 HydrophobicContact CG2-CD1 4.43Å
421	D	98.4	Very high	98.2	Very high	86 Å²	86	65.7 Å²	65.7	46%	0.46	32%	0.322	S	S	.	.			trans	-82.3	102.5	160.4	179.3	-20.2	0	0	0	108.6	Q423 A424 L425	D421-Q423 VanDerWaalsContact C-N 3.27Å; D421-Q423 PolarHBondContact O-N 3.08Å; D421-Q423 PolarHBondContact OD1-N 2.94Å; D421-A424 HydrophobicContact CB-CB 3.83Å; D421-A424 VanDerWaalsContact CG-CB 3.49Å; D421-A424 PolarHBondContact O-N 3.49Å; D421-A424 PolarHBondContact OD1-N 3.29Å; D421-L425 WeakPolarHBondContact O-CB 3.35Å; D421-L425 PolarHBondContact O-N 2.98Å
422	W	98.4	Very high	98.1	Very high	48 Å²	48	66.8 Å²	66.8	18%	0.182	33%	0.329	C	S	.	.	H	α-helix	trans	-62.3	-30.8	-176.2	-67.8	95.8	0	0	0	113.7	A265 V268 M412 F417 I420 L425 Y426	A265-W422 HydrophobicContact CB-CH2 3.98Å; A265-W422 HydrophobicContact CB-CZ3 4.09Å; A265-W422 WeakPolarHBondContact O-CZ3 2.98Å; V268-W422 HydrophobicContact CB-CH2 4.03Å; V268-W422 HydrophobicContact CB-CZ3 4.14Å; V268-W422 HydrophobicContact CG1-CH2 3.77Å; V268-W422 HydrophobicContact CG1-CZ3 3.92Å; M412-W422 HydrophobicContact CB-CD2 4.26Å; M412-W422 HydrophobicContact CB-CH2 4.23Å; M412-W422 HydrophobicContact CB-CZ2 3.64Å; M412-W422 HydrophobicContact CE-CB 3.84Å; M412-W422 HydrophobicContact CE-CD2 3.34Å; M412-W422 HydrophobicContact CE-CE3 3.57Å; M412-W422 HydrophobicContact CE-CG 3.44Å; M412-W422 VanDerWaalsContact CE-CG 3.44Å; M412-W422 HydrophobicContact CE-CZ3 4.31Å; M412-W422 HydrophobicContact CG-CD2 3.97Å; M412-W422 HydrophobicContact CG-CE3 4.06Å; M412-W422 HydrophobicContact CG-CH2 3.68Å; M412-W422 HydrophobicContact CG-CZ2 3.61Å; M412-W422 HydrophobicContact CG-CZ3 3.9Å; M412-W422 PolarHBondContact O-NE1 3.05Å; M412-W422 HydrophobicContact SD-CD2 4.5Å; F417-W422 HydrophobicContact CB-CZ2 3.9Å; F417-W422 HydrophobicContact CD1-CH2 4.41Å; F417-W422 HydrophobicContact CD1-CZ2 4.29Å; F417-W422 HydrophobicContact CG-CH2 4.46Å; F417-W422 HydrophobicContact CG-CZ2 4.04Å; I420-W422 HydrophobicContact CG2-CD2 4.04Å; I420-W422 HydrophobicContact CG2-CE3 4.42Å; I420-W422 HydrophobicContact CG2-CG 4.31Å; I420-W422 HydrophobicContact CG2-CZ2 4.41Å; I420-W422 PolarHBondContact O-N 3.45Å; W422-L425 HydrophobicContact CE3-CD2 4.04Å; W422-L425 HydrophobicContact CZ3-CD2 4.16Å; W422-Y426 PolarHBondContact O-N 2.97Å
423	Q	98	Very high	98	Very high	107 Å²	107	67.4 Å²	67.4	50%	0.5	34%	0.336	S	S	.	.	H	α-helix	trans	-74.4	-45.2	177.1	-174.4	62.8	30.7	0	0	110.4	D421 L425 Y426 E427	D421-Q423 VanDerWaalsContact C-N 3.27Å; D421-Q423 PolarHBondContact O-N 3.08Å; D421-Q423 PolarHBondContact OD1-N 2.94Å; Q423-L425 VanDerWaalsContact C-N 3.26Å; Q423-L425 PolarHBondContact O-N 3.36Å; Q423-Y426 PolarHBondContact O-N 2.87Å; Q423-E427 PolarHBondContact NE2-OE1 2.93Å; Q423-E427 WeakPolarHBondContact O-CB 3.16Å; Q423-E427 WeakPolarHBondContact O-CG 3.19Å; Q423-E427 PolarHBondContact O-N 2.78Å
424	A	98.5	Very high	97.9	Very high	7 Å²	7	64.4 Å²	64.4	6%	0.058	32%	0.319	C	S	.	.	H	α-helix	trans	-62.1	-35.7	174.3	0	0	0	0	0	111.8	D421 R428 R429 I430	D421-A424 HydrophobicContact CB-CB 3.83Å; D421-A424 VanDerWaalsContact CG-CB 3.49Å; D421-A424 PolarHBondContact O-N 3.49Å; D421-A424 PolarHBondContact OD1-N 3.29Å; A424-R428 PolarHBondContact O-N 2.9Å; A424-R429 HydrophobicContact CB-CB 4.18Å; A424-R429 PolarHBondContact O-N 2.75Å; A424-I430 HydrophobicContact CB-CG1 4.09Å
425	L	98.5	Very high	97.7	Very high	2 Å²	2	69.2 Å²	69.2	1%	0.01	34%	0.34	C	S	.	.	H	α-helix	trans	-61.4	-55	173.9	-171.7	79.6	0	0	0	110.7	F219 F262 A265 E266 I420 D421 W422 Q423 E427 R428 I430	F219-L425 HydrophobicContact CE2-CD2 4.39Å; F219-L425 HydrophobicContact CE2-CG 4.13Å; F219-L425 HydrophobicContact CZ-CG 4.16Å; F219-L425 VanDerWaalsContact CZ-O 3.29Å; F219-L425 WeakPolarHBondContact CZ-O 3.45Å; F262-L425 HydrophobicContact CE2-CD1 4.31Å; A265-L425 HydrophobicContact CB-CD1 4.42Å; A265-L425 HydrophobicContact CB-CD2 3.61Å; E266-L425 HydrophobicContact CG-CD1 3.84Å; E266-L425 HydrophobicContact CG-CD2 4.4Å; E266-L425 HydrophobicContact CG-CG 4.26Å; I420-L425 HydrophobicContact CG2-CB 4.38Å; I420-L425 HydrophobicContact CG2-CD2 4.22Å; D421-L425 WeakPolarHBondContact O-CB 3.35Å; D421-L425 PolarHBondContact O-N 2.98Å; W422-L425 HydrophobicContact CE3-CD2 4.04Å; W422-L425 HydrophobicContact CZ3-CD2 4.16Å; Q423-L425 VanDerWaalsContact C-N 3.26Å; Q423-L425 PolarHBondContact O-N 3.36Å; L425-E427 PolarHBondContact O-N 3.49Å; L425-R428 WeakPolarHBondContact O-CA 3.47Å; L425-R428 PolarHBondContact O-N 2.71Å; L425-I430 HydrophobicContact CB-CD1 3.87Å; L425-I430 HydrophobicContact CD1-CD1 3.91Å
426	Y	98	Very high	97.5	Very high	100 Å²	100	65.9 Å²	65.9	39%	0.392	32%	0.318	S	S	.	.	H	α-helix	trans	-57.2	-37.9	179.2	-178.7	-93	0	0	0	112.4	H217 P218 W422 Q423 R428	H217-Y426 AromaticContact CD2-CE2 3.58Å; H217-Y426 AromaticContact NE2-CD2 3.57Å; H217-Y426 AromaticContact NE2-CE2 3.51Å; P218-Y426 HydrophobicContact CG-CD2 3.98Å; P218-Y426 HydrophobicContact CG-CE2 4.04Å; P218-Y426 HydrophobicContact CG-CG 4.47Å; P218-Y426 WeakPolarHBondContact CG-O 3.16Å; W422-Y426 PolarHBondContact O-N 2.97Å; Q423-Y426 PolarHBondContact O-N 2.87Å; Y426-R428 PolarHBondContact O-N 2.98Å
427	E	98	Very high	97.1	Very high	91 Å²	91	73.4 Å²	73.4	43%	0.425	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	3.5	175.8	-67.7	170.8	177.2	0	0	113.9	Q423 L425 R429	Q423-E427 PolarHBondContact NE2-OE1 2.93Å; Q423-E427 WeakPolarHBondContact O-CB 3.16Å; Q423-E427 WeakPolarHBondContact O-CG 3.19Å; Q423-E427 PolarHBondContact O-N 2.78Å; L425-E427 PolarHBondContact O-N 3.49Å; E427-R429 HydrophobicContact CB-CG 4.1Å; E427-R429 PolarHBondContact O-N 2.55Å; E427-R429 IonicContact OE2-CZ 3.89Å; E427-R429 IonicContact OE2-NE 3.59Å; E427-R429 PolarHBondContact OE2-NE 2.99Å; E427-R429 IonicContact OE2-NH2 3.81Å; E427-R429 PolarHBondContact OE2-NH2 3.02Å
428	R	97.9	Very high	96.5	Very high	79 Å²	79	74.3 Å²	74.3	30%	0.298	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	36.2	-177.4	-60.5	177.4	55	167.2	-0.2	113.6	P218 F219 D292 D294 H296 A424 L425 Y426	P218-R428 HydrophobicContact CB-CG 4.17Å; F219-R428 HydrophobicContact CE1-CG 3.99Å; F219-R428 HydrophobicContact CZ-CG 4.37Å; D292-R428 IonicContact OD1-NH2 2.79Å; D292-R428 IonicContact OD2-CZ 2.88Å; D292-R428 IonicContact OD2-NH1 3.5Å; D292-R428 PolarHBondContact OD2-NH1 2.98Å; D292-R428 VanDerWaalsContact OD2-NH1 3.1Å; D292-R428 IonicContact OD2-NH2 2.82Å; D292-R428 PolarHBondContact OD2-NH2 2.82Å; D294-R428 IonicContact OD2-NH2 2.77Å; H296-R428 PolarHBondContact CD2-NH2 3.48Å; A424-R428 PolarHBondContact O-N 2.9Å; L425-R428 WeakPolarHBondContact O-CA 3.47Å; L425-R428 PolarHBondContact O-N 2.71Å; Y426-R428 PolarHBondContact O-N 2.98Å
429	R	98	Very high	96	Very high	161 Å²	161	77.2 Å²	77.2	61%	0.608	37%	0.365	S	S	*	.			trans	-91.7	-9.7	176.9	-67.4	-165.4	-72.9	122.5	-1.9	113.8	A424 E427	A424-R429 HydrophobicContact CB-CB 4.18Å; A424-R429 PolarHBondContact O-N 2.75Å; E427-R429 HydrophobicContact CB-CG 4.1Å; E427-R429 PolarHBondContact O-N 2.55Å; E427-R429 IonicContact OE2-CZ 3.89Å; E427-R429 IonicContact OE2-NE 3.59Å; E427-R429 PolarHBondContact OE2-NE 2.99Å; E427-R429 IonicContact OE2-NH2 3.81Å; E427-R429 PolarHBondContact OE2-NH2 3.02Å
430	I	97.8	Very high	95.5	Very high	44 Å²	44	74.6 Å²	74.6	23%	0.226	35%	0.349	C	S	.	.	S	Bend	trans	-85.2	124.7	172.8	-57.5	-175.8	0	0	0	108.3	F262 I420 A424 L425 P432	F262-I430 HydrophobicContact CD2-CG2 3.87Å; F262-I430 HydrophobicContact CE2-CB 4.15Å; F262-I430 HydrophobicContact CE2-CG2 3.77Å; I420-I430 HydrophobicContact CG2-CD1 4.43Å; A424-I430 HydrophobicContact CB-CG1 4.09Å; L425-I430 HydrophobicContact CB-CD1 3.87Å; L425-I430 HydrophobicContact CD1-CD1 3.91Å; I430-P432 WeakPolarHBondContact O-CD 3.46Å
431	E	96.9	Very high	94.7	Very high	173 Å²	173	75.8 Å²	75.8	81%	0.808	36%	0.356	S	S	*	.	P	Polyproline II helix	trans	-66.9	127.5	179.5	-174.6	171.7	-173	0	0	111
432	P	97.4	Very high	94.1	Very high	22 Å²	22	74.1 Å²	74.1	14%	0.143	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-63.4	135.9	176.3	-27.3	38.2	0	0	0	112.1	F262 D294 H296 I430 F434	F262-P432 HydrophobicContact CE1-CB 3.97Å; F262-P432 HydrophobicContact CE1-CG 4.29Å; F262-P432 HydrophobicContact CZ-CB 3.89Å; F262-P432 HydrophobicContact CZ-CG 3.8Å; D294-P432 WeakPolarHBondContact O-CB 3.35Å; D294-P432 VanDerWaalsContact O-CG 3.28Å; D294-P432 WeakPolarHBondContact O-CG 3.34Å; H296-P432 WeakPolarHBondContact NE2-CG 3.46Å; I430-P432 WeakPolarHBondContact O-CD 3.46Å; P432-F434 PolarHBondContact O-N 3.24Å; P432-F434 VanDerWaalsContact O-N 3.15Å
433	P	96.7	Very high	93.5	Very high	60 Å²	60	73 Å²	73	39%	0.39	35%	0.346	S	S	.	.	S	Bend	trans	-69.9	-10.7	179.2	29.3	-36.2	0	0	0	113.2	R259 F262	R259-P433 HydrophobicContact CB-CB 4.36Å; R259-P433 HydrophobicContact CB-CG 4.06Å; R259-P433 HydrophobicContact CG-CB 4.48Å; R259-P433 HydrophobicContact CG-CG 3.86Å; F262-P433 HydrophobicContact CB-CG 3.98Å; F262-P433 HydrophobicContact CD1-CG 4.01Å; F262-P433 VanDerWaalsContact CG-CD 3.44Å; F262-P433 HydrophobicContact CG-CG 4.04Å
434	F	95.9	Very high	93	Very high	43 Å²	43	68.5 Å²	68.5	19%	0.189	33%	0.326	C	S	.	.			trans	-144.9	127.6	174.9	168	-96.2	0	0	0	108.8	H248 R259 L291 G295 P432 P436	H248-F434 AromaticContact CE1-CE1 3.42Å; H248-F434 VanDerWaalsContact CE1-CE1 3.42Å; H248-F434 WeakPolarHBondContact CE1-CE1 3.29Å; H248-F434 AromaticContact CE1-CZ 3.58Å; H248-F434 AromaticContact ND1-CE1 3.52Å; H248-F434 AromaticContact ND1-CZ 3.52Å; R259-F434 VanDerWaalsContact CZ-CB 3.49Å; L291-F434 HydrophobicContact CD1-CD1 3.87Å; L291-F434 HydrophobicContact CD1-CE1 3.96Å; G295-F434 WeakPolarHBondContact CA-O 3.24Å; P432-F434 PolarHBondContact O-N 3.24Å; P432-F434 VanDerWaalsContact O-N 3.15Å; F434-P436 HydrophobicContact CD1-CG 4.45Å; F434-P436 HydrophobicContact CE1-CB 4.29Å; F434-P436 HydrophobicContact CE1-CG 3.87Å
435	K	94.5	Very high	92.5	Very high	121 Å²	121	71.2 Å²	71.2	53%	0.526	34%	0.344	S	S	.	.			trans	-110.7	122.6	173.6	-174.1	165.8	-171.8	147.2	0	109.2	D294 E437	D294-K435 IonicContact OD1-NZ 3.65Å; D294-K435 PolarHBondContact OD1-NZ 2.72Å; K435-E437 PolarHBondContact O-N 2.7Å
436	P	92.9	Very high	91.9	Very high	6 Å²	6	71.9 Å²	71.9	4%	0.039	35%	0.347	C	S	.	.			trans	-58.7	127.2	177	-23.3	32.6	0	0	0	111.9	L291 F434 V438 Y446	L291-P436 HydrophobicContact CB-CG 4.25Å; L291-P436 HydrophobicContact CD1-CG 4.49Å; F434-P436 HydrophobicContact CD1-CG 4.45Å; F434-P436 HydrophobicContact CE1-CB 4.29Å; F434-P436 HydrophobicContact CE1-CG 3.87Å; P436-V438 HydrophobicContact CB-CG1 4.42Å; P436-V438 PolarHBondContact O-N 3.07Å; P436-V438 VanDerWaalsContact O-N 3.13Å; P436-Y446 HydrophobicContact CB-CD2 4.39Å; P436-Y446 HydrophobicContact CB-CE2 3.89Å
437	E	91.3	Very high	91.3	Very high	161 Å²	161	68 Å²	68	75%	0.752	33%	0.332	S	S	*	.			trans	-80.3	89.7	172.5	-64.8	178.1	-179.3	0	0	108.9	K435 Y446	K435-E437 PolarHBondContact O-N 2.7Å; E437-Y446 WeakPolarHBondContact CA-OH 3.3Å; E437-Y446 PolarHBondContact N-OH 2.8Å; E437-Y446 WeakPolarHBondContact O-CE2 3.42Å; E437-Y446 PolarHBondContact O-OH 2.75Å
438	V	86.6	Confident	90.6	Very high	19 Å²	19	67.8 Å²	67.8	12%	0.115	33%	0.334	C	S	.	.			trans	-103	124.7	175.2	-71.1	0	0	0	0	110.4	C241 R293 P436 D443 Y446	C241-V438 HydrophobicContact CB-CG1 4.49Å; R293-V438 HydrophobicContact CG-CG2 4.16Å; P436-V438 HydrophobicContact CB-CG1 4.42Å; P436-V438 PolarHBondContact O-N 3.07Å; P436-V438 VanDerWaalsContact O-N 3.13Å; V438-D443 WeakPolarHBondContact CA-OD2 3.37Å; V438-D443 HydrophobicContact CB-CB 4.12Å; V438-D443 HydrophobicContact CG1-CB 4.42Å; V438-Y446 HydrophobicContact CG1-CD2 3.91Å; V438-Y446 HydrophobicContact CG1-CE2 3.67Å
439	Q	86.4	Confident	89.9	Confident	174 Å²	174	70.6 Å²	70.6	81%	0.813	35%	0.35	S	S	*	.	S	Bend	trans	-76	-27	-176	-62.9	-167.3	-5.2	0	0	113.4	D443 F496	Q439-D443 PolarHBondContact N-OD2 3.37Å; Q439-F496 WeakPolarHBondContact O-CZ 3.03Å
440	S	87.1	Confident	89.3	Confident	39 Å²	39	69.3 Å²	69.3	27%	0.273	35%	0.351	S	S	.	.	S	Bend	trans	-148.4	170.3	176.6	68.1	0	0	0	0	110.1	T442 D443	S440-T442 PolarHBondContact O-N 3.44Å; S440-T442 PolarHBondContact OG-N 2.89Å; S440-T442 PolarHBondContact OG-OG1 2.77Å; S440-D443 VanDerWaalsContact O-CB 3.26Å; S440-D443 WeakPolarHBondContact O-CB 3.35Å; S440-D443 PolarHBondContact O-N 3.5Å; S440-D443 PolarHBondContact OG-N 2.98Å
441	D	82	Confident	88.6	Confident	49 Å²	49	69.3 Å²	69.3	26%	0.262	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-28	174	64.3	-20.5	0	0	0	112.5	R178 L185	R178-D441 IonicContact CZ-OD2 3.61Å; R178-D441 IonicContact NH1-OD2 2.85Å; R178-D441 IonicContact NH2-OD1 3.78Å; R178-D441 IonicContact NH2-OD2 3.63Å; R178-D441 PolarHBondContact NH2-OD2 3.06Å; L185-D441 HydrophobicContact CD1-CB 3.64Å; L185-D441 WeakPolarHBondContact CD1-O 3.4Å
442	T	85.4	Confident	87.9	Confident	51 Å²	51	61.8 Å²	61.8	31%	0.313	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	7.3	176.1	60.8	0	0	0	0	114.1	L163 L185 S440 T444	L163-T442 HydrophobicContact CD1-CG2 3.79Å; L185-T442 HydrophobicContact CD1-CG2 3.94Å; L185-T442 HydrophobicContact CD2-CG2 4.19Å; S440-T442 PolarHBondContact O-N 3.44Å; S440-T442 PolarHBondContact OG-N 2.89Å; S440-T442 PolarHBondContact OG-OG1 2.77Å; T442-T444 PolarHBondContact O-N 3.04Å
443	D	87	Confident	87.2	Confident	25 Å²	25	67.9 Å²	67.9	13%	0.134	34%	0.342	C	S	.	.			trans	-60.9	129.9	174.4	-168.3	-12.8	0	0	0	109.7	Y239 V438 Q439 S440 S445	Y239-D443 PolarHBondContact OH-O 3.38Å; Y239-D443 VanDerWaalsContact OH-O 3.09Å; V438-D443 WeakPolarHBondContact CA-OD2 3.37Å; V438-D443 HydrophobicContact CB-CB 4.12Å; V438-D443 HydrophobicContact CG1-CB 4.42Å; Q439-D443 PolarHBondContact N-OD2 3.37Å; S440-D443 VanDerWaalsContact O-CB 3.26Å; S440-D443 WeakPolarHBondContact O-CB 3.35Å; S440-D443 PolarHBondContact O-N 3.5Å; S440-D443 PolarHBondContact OG-N 2.98Å; D443-S445 WeakPolarHBondContact OD1-CB 3.47Å; D443-S445 PolarHBondContact OD1-N 2.98Å; D443-S445 PolarHBondContact OD1-OG 2.67Å; D443-S445 PolarHBondContact OD2-OG 2.92Å
444	T	87.1	Confident	86.6	Confident	11 Å²	11	67.9 Å²	67.9	7%	0.067	34%	0.337	C	S	.	.			trans	-125.6	21.5	-177.2	41.8	0	0	0	0	111.3	K164 L166 L176 T442 Y446 F447	K164-T444 HydrophobicContact CD-CG2 3.87Å; K164-T444 VanDerWaalsContact CD-OG1 3.23Å; K164-T444 WeakPolarHBondContact CD-OG1 3.25Å; K164-T444 PolarHBondContact NZ-OG1 3.44Å; L166-T444 HydrophobicContact CD2-CG2 3.79Å; L176-T444 HydrophobicContact CD2-CG2 4.09Å; T442-T444 PolarHBondContact O-N 3.04Å; T444-Y446 PolarHBondContact O-N 3.12Å; T444-F447 HydrophobicContact CG2-CD2 4.13Å; T444-F447 PolarHBondContact O-N 3.39Å
445	S	87.3	Confident	85.9	Confident	64 Å²	64	70.5 Å²	70.5	45%	0.448	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.9	-179.5	53.4	0	0	0	0	114.5	D443	D443-S445 WeakPolarHBondContact OD1-CB 3.47Å; D443-S445 PolarHBondContact OD1-N 2.98Å; D443-S445 PolarHBondContact OD1-OG 2.67Å; D443-S445 PolarHBondContact OD2-OG 2.92Å
446	Y	86.5	Confident	85.3	Confident	16 Å²	16	66.6 Å²	66.6	6%	0.063	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	6.5	175.1	-59.3	-71	0	0	0	114	G242 F247 H248 P436 E437 V438 T444	G242-Y446 WeakPolarHBondContact O-CB 3.44Å; F247-Y446 HydrophobicContact CD1-CD1 4.01Å; F247-Y446 AromaticContact CE1-CD1 3.69Å; F247-Y446 HydrophobicContact CE1-CD1 3.69Å; F247-Y446 HydrophobicContact CE1-CE1 4.45Å; H248-Y446 AromaticContact CE1-CD1 3.33Å; H248-Y446 WeakPolarHBondContact CE1-CD1 3.47Å; H248-Y446 AromaticContact CE1-CE1 3.54Å; H248-Y446 AromaticContact NE2-CD1 3.92Å; P436-Y446 HydrophobicContact CB-CD2 4.39Å; P436-Y446 HydrophobicContact CB-CE2 3.89Å; E437-Y446 WeakPolarHBondContact CA-OH 3.3Å; E437-Y446 PolarHBondContact N-OH 2.8Å; E437-Y446 WeakPolarHBondContact O-CE2 3.42Å; E437-Y446 PolarHBondContact O-OH 2.75Å; V438-Y446 HydrophobicContact CG1-CD2 3.91Å; V438-Y446 HydrophobicContact CG1-CE2 3.67Å; T444-Y446 PolarHBondContact O-N 3.12Å
447	F	84.9	Confident	84.7	Confident	20 Å²	20	73.8 Å²	73.8	9%	0.088	38%	0.376	C	S	.	.	S	Bend	trans	-108.9	153.1	176.4	-64.2	-94.8	0	0	0	110.3	L166 Y239 A240 T444 Q449 T452	L166-F447 HydrophobicContact CB-CD1 4.02Å; L166-F447 HydrophobicContact CB-CE1 4.12Å; L166-F447 HydrophobicContact CD1-CE1 4.28Å; L166-F447 HydrophobicContact CD2-CD1 3.84Å; L166-F447 HydrophobicContact CD2-CD2 4.19Å; L166-F447 HydrophobicContact CD2-CE1 3.88Å; L166-F447 HydrophobicContact CD2-CE2 4.23Å; L166-F447 HydrophobicContact CD2-CG 3.99Å; L166-F447 HydrophobicContact CD2-CZ 4.09Å; L166-F447 HydrophobicContact CG-CD1 4.44Å; L166-F447 HydrophobicContact CG-CE1 4.31Å; Y239-F447 HydrophobicContact CE2-CE1 4.39Å; Y239-F447 AromaticContact CE2-CE2 3.89Å; Y239-F447 HydrophobicContact CE2-CE2 3.89Å; Y239-F447 AromaticContact CE2-CZ 3.5Å; Y239-F447 HydrophobicContact CE2-CZ 3.5Å; Y239-F447 AromaticContact CZ-CE2 3.96Å; Y239-F447 WeakPolarHBondContact OH-CE2 3.27Å; A240-F447 WeakPolarHBondContact O-CZ 3.14Å; T444-F447 HydrophobicContact CG2-CD2 4.13Å; T444-F447 PolarHBondContact O-N 3.39Å; F447-Q449 PolarHBondContact O-N 3.01Å; F447-T452 HydrophobicContact CB-CG2 3.65Å
448	D	82.8	Confident	83.6	Confident	85 Å²	85	68.3 Å²	68.3	46%	0.455	35%	0.352	S	S	.	.			trans	-59.7	132.5	-179.6	-158.8	-40.6	0	0	0	111.2	E450 F451 T452	D448-E450 PolarHBondContact O-N 3.47Å; D448-E450 WeakPolarHBondContact OD1-CB 3.25Å; D448-E450 PolarHBondContact OD1-N 3.32Å; D448-F451 HydrophobicContact CB-CD2 3.57Å; D448-F451 HydrophobicContact CB-CE2 3.77Å; D448-F451 HydrophobicContact CB-CG 4.4Å; D448-F451 PolarHBondContact O-N 2.96Å; D448-T452 WeakPolarHBondContact O-CG2 3.16Å; D448-T452 PolarHBondContact O-N 2.96Å; D448-T452 PolarHBondContact O-OG1 3.39Å
449	Q	83.5	Confident	82.6	Confident	138 Å²	138	71.3 Å²	71.3	65%	0.645	37%	0.37	S	S	*	.	H	α-helix	trans	-65.2	-27.5	177.5	-67.7	-170.7	3.5	0	0	112.2	F447 F451 T452 Q453	F447-Q449 PolarHBondContact O-N 3.01Å; Q449-F451 VanDerWaalsContact C-N 3.25Å; Q449-F451 PolarHBondContact O-N 3.36Å; Q449-T452 WeakPolarHBondContact CA-OG1 3.34Å; Q449-Q453 WeakPolarHBondContact O-CB 3.06Å; Q449-Q453 VanDerWaalsContact O-CG 3.24Å; Q449-Q453 WeakPolarHBondContact O-CG 3.24Å; Q449-Q453 PolarHBondContact O-N 2.95Å
450	E	85.4	Confident	81	Confident	135 Å²	135	68 Å²	68	63%	0.631	36%	0.364	S	S	*	.	H	α-helix	trans	-56.9	-42.5	173.7	-175.6	175.6	177.2	0	0	110.9	D448	D448-E450 PolarHBondContact O-N 3.47Å; D448-E450 WeakPolarHBondContact OD1-CB 3.25Å; D448-E450 PolarHBondContact OD1-N 3.32Å
451	F	84	Confident	79.4	Confident	44 Å²	44	69.9 Å²	69.9	19%	0.193	38%	0.375	C	S	.	.	H	α-helix	trans	-82.8	-45	-179.3	-52.4	-43.8	0	0	0	111.9	V165 K168 D448 Q449 Q453 E454	V165-F451 WeakPolarHBondContact CB-O 3.1Å; V165-F451 HydrophobicContact CG1-CB 4.36Å; V165-F451 CarbonylContact O-C 3.6Å; K168-F451 HydrophobicContact CB-CD1 4.2Å; K168-F451 HydrophobicContact CB-CE1 4.14Å; D448-F451 HydrophobicContact CB-CD2 3.57Å; D448-F451 HydrophobicContact CB-CE2 3.77Å; D448-F451 HydrophobicContact CB-CG 4.4Å; D448-F451 PolarHBondContact O-N 2.96Å; Q449-F451 VanDerWaalsContact C-N 3.25Å; Q449-F451 PolarHBondContact O-N 3.36Å; F451-Q453 PolarHBondContact O-N 2.88Å; F451-Q453 VanDerWaalsContact O-N 3.09Å; F451-E454 WeakPolarHBondContact O-CB 3.45Å; F451-E454 PolarHBondContact O-N 3.39Å
452	T	82.1	Confident	77.7	Confident	15 Å²	15	70.3 Å²	70.3	9%	0.092	39%	0.391	C	S	.	.	H	α-helix	trans	-67.4	-15.7	-173.6	60.6	0	0	0	0	113.5	K164 V165 F447 D448 Q449	K164-T452 HydrophobicContact CD-CG2 4.19Å; K164-T452 WeakPolarHBondContact CE-O 3.45Å; K164-T452 WeakPolarHBondContact CG-O 3.46Å; V165-T452 WeakPolarHBondContact O-CA 3.42Å; V165-T452 PolarHBondContact O-N 3.47Å; F447-T452 HydrophobicContact CB-CG2 3.65Å; D448-T452 WeakPolarHBondContact O-CG2 3.16Å; D448-T452 PolarHBondContact O-N 2.96Å; D448-T452 PolarHBondContact O-OG1 3.39Å; Q449-T452 WeakPolarHBondContact CA-OG1 3.34Å
453	Q	82.4	Confident	75.4	Confident	150 Å²	150	77.4 Å²	77.4	70%	0.701	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-7.7	173.5	-65.4	178	16.7	0	0	113.9	Q449 F451	Q449-Q453 WeakPolarHBondContact O-CB 3.06Å; Q449-Q453 VanDerWaalsContact O-CG 3.24Å; Q449-Q453 WeakPolarHBondContact O-CG 3.24Å; Q449-Q453 PolarHBondContact O-N 2.95Å; F451-Q453 PolarHBondContact O-N 2.88Å; F451-Q453 VanDerWaalsContact O-N 3.09Å
454	E	83.3	Confident	73	Confident	59 Å²	59	85.6 Å²	85.6	28%	0.276	45%	0.451	S	S	.	.	S	Bend	trans	-70.6	154.5	176.1	-72.1	-161.2	-175.5	0	0	112.3	V165 K168 F451	V165-E454 HydrophobicContact CB-CB 4.31Å; V165-E454 HydrophobicContact CG2-CB 4.16Å; K168-E454 IonicContact NZ-OE1 3.79Å; K168-E454 PolarHBondContact NZ-OE1 2.96Å; K168-E454 IonicContact NZ-OE2 2.85Å; K168-E454 PolarHBondContact NZ-OE2 3.44Å; F451-E454 WeakPolarHBondContact O-CB 3.45Å; F451-E454 PolarHBondContact O-N 3.39Å
455	T	81.5	Confident	70.3	Confident	99 Å²	99	87.6 Å²	87.6	61%	0.607	47%	0.474	S	S	*	.			trans	-74	140	175.3	68.1	0	0	0	0	111.5	R173 E457	R173-T455 PolarHBondContact NH1-O 3.36Å; T455-E457 PolarHBondContact O-N 3.09Å
456	V	82.9	Confident	67.5	Low	39 Å²	39	91.9 Å²	91.9	24%	0.236	50%	0.498	C	S	.	.			trans	-78.1	-7.7	176	-65.4	0	0	0	0	113.6	L162 V165 R173 I175 L458	L162-V456 HydrophobicContact CB-CB 4.11Å; L162-V456 HydrophobicContact CB-CG2 4.29Å; V165-V456 HydrophobicContact CG2-CG1 4.24Å; R173-V456 PolarHBondContact NH2-O 3.09Å; I175-V456 HydrophobicContact CG2-CG1 4.14Å; V456-L458 PolarHBondContact O-N 2.92Å
457	E	79	Confident	64.7	Low	156 Å²	156	98.1 Å²	98.1	73%	0.729	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-59.6	125.7	179.8	-70.1	-172.9	172.1	0	0	111.1	R173 T455	R173-E457 PolarHBondContact NH1-O 2.93Å; R173-E457 PolarHBondContact NH2-O 3.32Å; T455-E457 PolarHBondContact O-N 3.09Å
458	L	69.2	Low	61.9	Low	47 Å²	47	103.8 Å²	103.8	25%	0.246	56%	0.562	C	S	.	*	P	Polyproline II helix	trans	-79.1	132.7	176.9	-71.1	167.4	0	0	0	109.4	L157 L162 R173 I190 V456 P460	L157-L458 HydrophobicContact CD2-CD1 3.19Å; L162-L458 HydrophobicContact CD1-CD1 4.42Å; R173-L458 VanDerWaalsContact NH2-CG 3.34Å; I190-L458 HydrophobicContact CD1-CD1 4.32Å; I190-L458 HydrophobicContact CD1-CD2 3.93Å; I190-L458 HydrophobicContact CG2-CD2 4.15Å; V456-L458 PolarHBondContact O-N 2.92Å; L458-P460 WeakPolarHBondContact O-CD 3.23Å; L458-P460 VanDerWaalsContact O-N 3.16Å
459	T	65.6	Low	59.3	Low	82 Å²	82	105.5 Å²	105.5	50%	0.503	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-53.2	123.6	169.2	-41.5	0	0	0	0	108.6	R232	R232-T459 PolarHBondContact NH2-O 2.84Å
460	P	52.3	Low	56.7	Low	104 Å²	104	103.7 Å²	103.7	68%	0.675	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-55.4	146.6	176.4	-23.1	32	0	0	0	110.2	L458 G462	L458-P460 WeakPolarHBondContact O-CD 3.23Å; L458-P460 VanDerWaalsContact O-N 3.16Å; P460-G462 PolarHBondContact O-N 2.85Å
461	P	53.8	Low	54.2	Low	79 Å²	79	100.6 Å²	100.6	51%	0.513	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-55.1	134.1	172.4	21.7	-30.4	0	0	0	108.9	D231 Q463	D231-P461 HydrophobicContact CB-CB 4.42Å; P461-Q463 PolarHBondContact O-N 2.78Å
462	G	45.8	Very low	52.1	Low	58 Å²	58	105.8 Å²	105.8	60%	0.598	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-54.7	128.2	178.1	0	0	0	0	0	109.5	P460 Y464	P460-G462 PolarHBondContact O-N 2.85Å; G462-Y464 PolarHBondContact O-N 2.83Å
463	Q	36.8	Very low	49.8	Very low	199 Å²	199	112.3 Å²	112.3	93%	0.93	63%	0.626	S	S	*	*			trans	-65.3	84.5	174.5	-76.8	-179.3	-9.2	0	0	109.1	P461 G465	P461-Q463 PolarHBondContact O-N 2.78Å; Q463-G465 PolarHBondContact O-N 2.91Å
464	Y	37.8	Very low	47.8	Very low	198 Å²	198	111.8 Å²	111.8	78%	0.776	62%	0.624	S	S	*	*			trans	-70.6	112.1	157.1	-75	-82.5	0	0	0	105.9	G462 T466	G462-Y464 PolarHBondContact O-N 2.83Å; Y464-T466 PolarHBondContact O-N 3.12Å
465	G	30.2	Very low	45.9	Very low	53 Å²	53	114 Å²	114	55%	0.546	63%	0.634	S	S	.	*			trans	-49.4	138.3	-168.5	0	0	0	0	0	112.7	Q463 L467	Q463-G465 PolarHBondContact O-N 2.91Å; G465-L467 VanDerWaalsContact C-N 3.31Å; G465-L467 PolarHBondContact O-N 2.82Å
466	T	27.5	Very low	44.5	Very low	154 Å²	154	113.8 Å²	113.8	95%	0.945	63%	0.626	S	S	*	*			trans	10.3	72.2	162.6	21.4	0	0	0	0	114.6	Y464	Y464-T466 PolarHBondContact O-N 3.12Å
467	L	27.3	Very low	43.4	Very low	146 Å²	146	116.8 Å²	116.8	76%	0.764	65%	0.646	S	S	*	*			trans	-110.6	121.2	158.4	-89.7	158.8	0	0	0	105.3	G465	G465-L467 VanDerWaalsContact C-N 3.31Å; G465-L467 PolarHBondContact O-N 2.82Å
468	N	26.9	Very low	42.4	Very low	139 Å²	139	115.4 Å²	115.4	74%	0.743	64%	0.635	S	S	*	*			trans	-40	143.5	-174.7	-63.5	-41.1	0	0	0	111.4	I470	N468-I470 VanDerWaalsContact C-N 3.28Å; N468-I470 WeakPolarHBondContact O-CG1 3.49Å; N468-I470 PolarHBondContact O-N 2.79Å
469	S	28.6	Very low	42.7	Very low	122 Å²	122	113.2 Å²	113.2	85%	0.853	62%	0.624	S	S	*	*			trans	-28.9	90.2	163.7	44.7	0	0	0	0	111.9	S471	S469-S471 PolarHBondContact O-N 3.27Å
470	I	28.5	Very low	42.6	Very low	99 Å²	99	112.5 Å²	112.5	51%	0.508	62%	0.62	S	S	.	*			trans	-74	110.8	167.6	-74.8	158.4	0	0	0	103.1	N468 E474	N468-I470 VanDerWaalsContact C-N 3.28Å; N468-I470 WeakPolarHBondContact O-CG1 3.49Å; N468-I470 PolarHBondContact O-N 2.79Å; I470-E474 WeakPolarHBondContact CD1-OE2 3.15Å; I470-E474 HydrophobicContact CG2-CB 3.47Å; I470-E474 VanDerWaalsContact CG2-CB 3.47Å; I470-E474 VanDerWaalsContact CG2-CD 3.49Å; I470-E474 HydrophobicContact CG2-CG 3.58Å; I470-E474 WeakPolarHBondContact CG2-OE2 3.42Å
471	S	33	Very low	43.5	Very low	70 Å²	70	114.5 Å²	114.5	49%	0.49	62%	0.62	S	S	.	*			trans	-48.7	156.1	170.5	47.4	0	0	0	0	109.6	S469 L473 E474	S469-S471 PolarHBondContact O-N 3.27Å; S471-L473 PolarHBondContact O-N 3.35Å; S471-E474 PolarHBondContact O-N 2.82Å
472	E	38.9	Very low	44.5	Very low	153 Å²	153	110.7 Å²	110.7	72%	0.715	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.9	7.1	171.8	-63.3	-175.8	156.5	0	0	114.9	R154	R154-E472 IonicContact CZ-OE2 3.61Å; R154-E472 VanDerWaalsContact NH1-CD 3.33Å; R154-E472 IonicContact NH1-OE1 3.39Å; R154-E472 PolarHBondContact NH1-OE1 3.03Å; R154-E472 IonicContact NH1-OE2 3.52Å; R154-E472 PolarHBondContact NH1-OE2 2.87Å
473	L	35.4	Very low	46	Very low	152 Å²	152	110.6 Å²	110.6	80%	0.796	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-13.7	-179.2	-72.3	160.4	0	0	0	114.4	S471 E475	S471-L473 PolarHBondContact O-N 3.35Å; L473-E475 PolarHBondContact O-N 3.4Å
474	E	39.4	Very low	48.1	Very low	139 Å²	139	104 Å²	104	65%	0.65	55%	0.554	S	S	*	*			trans	-90.1	67.1	161.1	-67.3	-176.4	-179.2	0	0	108.7	I470 S471 Q476	I470-E474 WeakPolarHBondContact CD1-OE2 3.15Å; I470-E474 HydrophobicContact CG2-CB 3.47Å; I470-E474 VanDerWaalsContact CG2-CB 3.47Å; I470-E474 VanDerWaalsContact CG2-CD 3.49Å; I470-E474 HydrophobicContact CG2-CG 3.58Å; I470-E474 WeakPolarHBondContact CG2-OE2 3.42Å; S471-E474 PolarHBondContact O-N 2.82Å; E474-Q476 PolarHBondContact O-N 3.37Å
475	E	44.2	Very low	50	Low	105 Å²	105	98.3 Å²	98.3	49%	0.491	53%	0.534	S	S	.	.			trans	-53.4	114.9	158.6	-68.7	-171.4	145.1	0	0	106.6	L473 P477 T480	L473-E475 PolarHBondContact O-N 3.4Å; E475-P477 VanDerWaalsContact O-CD 3.26Å; E475-P477 WeakPolarHBondContact O-CD 3.43Å; E475-T480 HydrophobicContact CB-CG2 4.03Å; E475-T480 WeakPolarHBondContact OE2-CG2 3.49Å
476	Q	52.1	Low	51.3	Low	96 Å²	96	96.7 Å²	96.7	45%	0.449	52%	0.518	S	S	.	.			trans	-52.5	116.6	163	-78.9	-159	-10.1	0	0	105.8	I197 E474 Y478 F479	I197-Q476 VanDerWaalsContact CD1-OE1 3.28Å; E474-Q476 PolarHBondContact O-N 3.37Å; Q476-Y478 HydrophobicContact CB-CD2 4.35Å; Q476-Y478 PolarHBondContact O-N 3.42Å; Q476-F479 PolarHBondContact O-N 3.12Å; Q476-F479 VanDerWaalsContact O-N 3.15Å
477	P	59.7	Low	52	Low	101 Å²	101	94.5 Å²	94.5	66%	0.656	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-10.8	-163.1	20.4	-32.3	0	0	0	113.1	E475	E475-P477 VanDerWaalsContact O-CD 3.26Å; E475-P477 WeakPolarHBondContact O-CD 3.43Å
478	Y	57.8	Low	52.4	Low	127 Å²	127	91.3 Å²	91.3	50%	0.498	51%	0.511	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-27	177.8	-57.2	-72.3	0	0	0	115.2	I197 V202 L206 Q476	I197-Y478 HydrophobicContact CD1-CD2 4.17Å; V202-Y478 HydrophobicContact CG1-CD1 4.46Å; L206-Y478 WeakPolarHBondContact CD1-O 3.26Å; Q476-Y478 HydrophobicContact CB-CD2 4.35Å; Q476-Y478 PolarHBondContact O-N 3.42Å
479	F	74.4	Confident	53	Low	1 Å²	1	89.5 Å²	89.5	0%	0.004	50%	0.498	C	S	.	.			trans	-130.3	24.4	-167.8	-56.7	-67.3	0	0	0	115.5	K193 I196 I197 V202 L206 Q228 L233 Q476 Q481 F482	K193-F479 HydrophobicContact CB-CE2 4.28Å; K193-F479 HydrophobicContact CD-CD2 4.31Å; K193-F479 HydrophobicContact CD-CE2 4.49Å; K193-F479 HydrophobicContact CG-CD2 4.27Å; K193-F479 HydrophobicContact CG-CE2 4.04Å; I196-F479 HydrophobicContact CB-CZ 4.44Å; I196-F479 HydrophobicContact CG2-CE1 4.37Å; I196-F479 HydrophobicContact CG2-CZ 3.95Å; I197-F479 HydrophobicContact CD1-CE2 4.18Å; I197-F479 HydrophobicContact CG1-CE2 4.21Å; I197-F479 HydrophobicContact CG1-CZ 4.4Å; V202-F479 HydrophobicContact CB-CE1 4.4Å; V202-F479 HydrophobicContact CB-CZ 4.5Å; V202-F479 HydrophobicContact CG1-CD1 4.44Å; V202-F479 HydrophobicContact CG1-CE1 3.8Å; V202-F479 HydrophobicContact CG1-CZ 4.16Å; V202-F479 HydrophobicContact CG2-CE1 4.37Å; V202-F479 HydrophobicContact CG2-CZ 3.98Å; L206-F479 HydrophobicContact CD2-CD1 4Å; L206-F479 HydrophobicContact CG-CD1 4.43Å; Q228-F479 PolarHBondContact NE2-O 2.95Å; L233-F479 HydrophobicContact CD1-CD1 3.61Å; L233-F479 HydrophobicContact CD1-CE1 3.51Å; L233-F479 HydrophobicContact CD1-CE2 4.42Å; L233-F479 HydrophobicContact CD1-CG 4.13Å; L233-F479 HydrophobicContact CD1-CZ 3.94Å; L233-F479 HydrophobicContact CD2-CB 4.24Å; L233-F479 HydrophobicContact CD2-CD1 4.33Å; L233-F479 HydrophobicContact CD2-CD2 4.48Å; L233-F479 HydrophobicContact CD2-CG 4.11Å; Q476-F479 PolarHBondContact O-N 3.12Å; Q476-F479 VanDerWaalsContact O-N 3.15Å; F479-Q481 PolarHBondContact O-N 3.32Å; F479-Q481 VanDerWaalsContact O-N 3.14Å; F479-F482 HydrophobicContact CB-CB 4.3Å; F479-F482 VanDerWaalsContact O-CB 3.29Å; F479-F482 WeakPolarHBondContact O-CB 3.37Å; F479-F482 PolarHBondContact O-N 2.53Å; F479-F482 VanDerWaalsContact O-N 3.07Å
480	T	63.6	Low	53.2	Low	68 Å²	68	95.2 Å²	95.2	42%	0.417	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.1	-175.6	57.3	0	0	0	0	114.2	E475	E475-T480 HydrophobicContact CB-CG2 4.03Å; E475-T480 WeakPolarHBondContact OE2-CG2 3.49Å
481	Q	71.8	Confident	53.9	Low	145 Å²	145	92.9 Å²	92.9	68%	0.678	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	18.3	179.6	-63.2	-178.6	-12	0	0	113.8	N209 F479	N209-Q481 PolarHBondContact ND2-O 3.11Å; F479-Q481 PolarHBondContact O-N 3.32Å; F479-Q481 VanDerWaalsContact O-N 3.14Å
482	F	74.9	Confident	53.8	Low	0 Å²	0	95 Å²	95	0%	0	50%	0.502	C	S	.	.			trans	-75.8	-33.7	-173.1	-167	-91.8	0	0	0	113.9	T205 N209 S226 F227 Q228 L233 F235 F479	T205-F482 HydrophobicContact CG2-CE2 4.17Å; N209-F482 HydrophobicContact CB-CD2 4.39Å; N209-F482 HydrophobicContact CB-CE2 4.23Å; N209-F482 VanDerWaalsContact ND2-CA 3.35Å; N209-F482 WeakPolarHBondContact ND2-CA 3.29Å; N209-F482 PolarHBondContact ND2-O 2.79Å; S226-F482 WeakPolarHBondContact CB-O 3.33Å; S226-F482 PolarHBondContact OG-O 3.47Å; F227-F482 VanDerWaalsContact O-CE1 3.23Å; F227-F482 WeakPolarHBondContact O-CE1 3.37Å; Q228-F482 HydrophobicContact CB-CD1 4.31Å; L233-F482 HydrophobicContact CB-CD1 4.47Å; L233-F482 HydrophobicContact CB-CE1 3.89Å; L233-F482 HydrophobicContact CB-CE2 3.94Å; L233-F482 HydrophobicContact CB-CZ 3.61Å; L233-F482 HydrophobicContact CD1-CD2 3.99Å; L233-F482 HydrophobicContact CD1-CE2 3.84Å; L233-F482 HydrophobicContact CD1-CZ 4.38Å; L233-F482 HydrophobicContact CD2-CB 4.35Å; L233-F482 HydrophobicContact CD2-CD1 3.83Å; L233-F482 HydrophobicContact CD2-CD2 3.94Å; L233-F482 HydrophobicContact CD2-CE1 4.13Å; L233-F482 HydrophobicContact CD2-CE2 4.22Å; L233-F482 HydrophobicContact CD2-CG 3.75Å; L233-F482 HydrophobicContact CD2-CZ 4.32Å; L233-F482 HydrophobicContact CG-CD2 4.37Å; L233-F482 HydrophobicContact CG-CE2 4.22Å; L233-F482 HydrophobicContact CG-CZ 4.31Å; F235-F482 AromaticContact CD1-CZ 3.98Å; F235-F482 HydrophobicContact CD1-CZ 3.98Å; F235-F482 AromaticContact CD2-CZ 3.94Å; F235-F482 HydrophobicContact CD2-CZ 3.94Å; F235-F482 AromaticContact CE1-CE2 3.69Å; F235-F482 HydrophobicContact CE1-CE2 3.69Å; F235-F482 AromaticContact CE1-CZ 3.56Å; F235-F482 HydrophobicContact CE1-CZ 3.56Å; F235-F482 AromaticContact CE2-CE2 3.81Å; F235-F482 HydrophobicContact CE2-CE2 3.81Å; F235-F482 AromaticContact CE2-CZ 3.52Å; F235-F482 HydrophobicContact CE2-CZ 3.52Å; F235-F482 HydrophobicContact CG-CZ 4.18Å; F235-F482 AromaticContact CZ-CE2 3.29Å; F235-F482 HydrophobicContact CZ-CE2 3.29Å; F235-F482 AromaticContact CZ-CZ 3.34Å; F235-F482 HydrophobicContact CZ-CZ 3.34Å; F479-F482 HydrophobicContact CB-CB 4.3Å; F479-F482 VanDerWaalsContact O-CB 3.29Å; F479-F482 WeakPolarHBondContact O-CB 3.37Å; F479-F482 PolarHBondContact O-N 2.53Å; F479-F482 VanDerWaalsContact O-N 3.07Å
483	S	77.6	Confident	53.7	Low	56 Å²	56	91.8 Å²	91.8	39%	0.392	49%	0.486	S	S	.	.			trans	-81	131.1	-168.4	-55.9	0	0	0	0	112.9	S226	S226-S483 CarbonylContact O-C 3.51Å; S226-S483 VanDerWaalsContact O-CA 3.27Å; S226-S483 WeakPolarHBondContact O-CA 3.43Å
484	F	80.9	Confident	53.6	Low	60 Å²	60	94.7 Å²	94.7	26%	0.263	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	139.7	178	169.7	-96.4	0	0	0	111.5	Q213 L223 Y225 S226	Q213-F484 HydrophobicContact CG-CB 4.05Å; Q213-F484 HydrophobicContact CG-CD1 3.94Å; Q213-F484 HydrophobicContact CG-CD2 3.87Å; Q213-F484 HydrophobicContact CG-CE1 4.33Å; Q213-F484 HydrophobicContact CG-CE2 4.27Å; Q213-F484 HydrophobicContact CG-CG 3.69Å; Q213-F484 HydrophobicContact CG-CZ 4.48Å; L223-F484 HydrophobicContact CD2-CD1 4.1Å; Y225-F484 WeakPolarHBondContact CA-O 3.41Å; S226-F484 PolarHBondContact N-O 2.99Å; S226-F484 PolarHBondContact O-N 3.42Å; S226-F484 VanDerWaalsContact OG-CB 3.31Å; S226-F484 WeakPolarHBondContact OG-CB 3.24Å; S226-F484 PolarHBondContact OG-N 3.05Å
485	H	76.8	Confident	53.2	Low	78 Å²	78	92.9 Å²	92.9	36%	0.361	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	107.3	176.1	-62.3	82.1	0	0	0	110	I155	I155-H485 PolarHBondContact N-NE2 3.43Å
486	G	57.3	Low	52.7	Low	20 Å²	20	93 Å²	93	21%	0.206	49%	0.488	C	S	.	.			trans	-64.8	141.9	178.9	0	0	0	0	0	112.3	K224 G488	K224-G486 VanDerWaalsContact O-CA 3.27Å; K224-G486 WeakPolarHBondContact O-CA 3.33Å; K224-G486 PolarHBondContact O-N 2.98Å; G486-G488 PolarHBondContact O-N 2.81Å
487	S	43.9	Very low	51.6	Low	108 Å²	108	96.9 Å²	96.9	76%	0.755	51%	0.506	S	S	*	.			trans	-69.1	125.9	174.3	50.7	0	0	0	0	110	Q489	S487-Q489 PolarHBondContact O-N 3.32Å
488	G	35.7	Very low	50.2	Low	78 Å²	78	101.3 Å²	101.3	80%	0.804	52%	0.518	S	S	*	.			trans	-49.9	97.8	-168.6	0	0	0	0	0	114.5	G486	G486-G488 PolarHBondContact O-N 2.81Å
489	Q	38	Very low	49	Very low	101 Å²	101	106.5 Å²	106.5	47%	0.472	55%	0.554	S	S	.	*			trans	-96.8	124.4	160.4	-96.7	162.1	49.5	0	0	107.6	S487 F491	S487-Q489 PolarHBondContact O-N 3.32Å; Q489-F491 PolarHBondContact O-N 2.93Å
490	R	33.5	Very low	47.7	Very low	242 Å²	242	111.8 Å²	111.8	91%	0.913	58%	0.582	S	S	*	*			trans	-68.1	115.1	162.8	-80.3	-180	172.8	166.2	-2.9	106.9	S492	R490-S492 PolarHBondContact O-N 3.39Å
491	F	42.1	Very low	46.9	Very low	50 Å²	50	114.1 Å²	114.1	22%	0.219	59%	0.591	C	S	.	*			trans	-71.4	125.9	164.3	-57	-111	0	0	0	106.6	E184 F186 S222 K224 E238 Q489 F493	E184-F491 WeakPolarHBondContact OE1-CB 3.48Å; E184-F491 WeakPolarHBondContact OE1-CD2 3.37Å; E184-F491 WeakPolarHBondContact OE1-CG 3.16Å; E184-F491 PolarHBondContact OE1-N 3.16Å; F186-F491 HydrophobicContact CE1-CD2 4.32Å; F186-F491 AromaticContact CE1-CE2 3.99Å; F186-F491 HydrophobicContact CE1-CE2 3.99Å; F186-F491 HydrophobicContact CE1-CZ 4.48Å; F186-F491 HydrophobicContact CZ-CD2 4.48Å; F186-F491 HydrophobicContact CZ-CE2 4.4Å; S222-F491 VanDerWaalsContact OG-CE1 3.28Å; S222-F491 WeakPolarHBondContact OG-CE1 3.47Å; K224-F491 HydrophobicContact CD-CE2 4.07Å; K224-F491 HydrophobicContact CG-CE2 4.45Å; E238-F491 HydrophobicContact CB-CE1 4.06Å; E238-F491 HydrophobicContact CG-CD1 4.3Å; E238-F491 HydrophobicContact CG-CE1 4.06Å; Q489-F491 PolarHBondContact O-N 2.93Å; F491-F493 VanDerWaalsContact C-N 3.29Å; F491-F493 HydrophobicContact CB-CD2 4.47Å; F491-F493 PolarHBondContact O-N 2.76Å
492	S	31.3	Very low	45.5	Very low	115 Å²	115	112.4 Å²	112.4	80%	0.804	59%	0.586	S	S	*	*			trans	-71.3	85	-177	162.9	0	0	0	0	109.8	R490	R490-S492 PolarHBondContact O-N 3.39Å
493	F	36.4	Very low	43.7	Very low	85 Å²	85	119 Å²	119	37%	0.373	62%	0.62	S	S	.	*			trans	-83.9	111.2	159.9	-84.7	-88.6	0	0	0	108.4	F491 S495	F491-F493 VanDerWaalsContact C-N 3.29Å; F491-F493 HydrophobicContact CB-CD2 4.47Å; F491-F493 PolarHBondContact O-N 2.76Å; F493-S495 PolarHBondContact O-N 3.32Å
494	R	33.5	Very low	41.6	Very low	214 Å²	214	122.9 Å²	122.9	81%	0.808	64%	0.635	S	S	*	*			trans	-65.6	117.1	161	-84.4	-175.7	175.7	176.9	-1.1	107.6	R293	R293-R494 PolarHBondContact NH1-O 2.97Å
495	S	32.2	Very low	39	Very low	100 Å²	100	127.1 Å²	127.1	70%	0.699	66%	0.659	S	S	*	*			trans	-54	141.9	168.9	45.2	0	0	0	0	109.6	F493 E497	F493-S495 PolarHBondContact O-N 3.32Å; S495-E497 PolarHBondContact O-N 2.94Å
496	F	33.3	Very low	36.3	Very low	108 Å²	108	130.6 Å²	130.6	47%	0.474	68%	0.681	S	S	.	*			trans	-59.8	106	166.3	-77.7	-94.9	0	0	0	107.7	Q439 E498	Q439-F496 WeakPolarHBondContact O-CZ 3.03Å; F496-E498 PolarHBondContact O-N 2.86Å
497	E	29.6	Very low	34.7	Very low	178 Å²	178	139.2 Å²	139.2	83%	0.832	72%	0.717	S	S	*	*			trans	-77	110.7	155.2	-74.5	-178.9	162.2	0	0	105.2	S495 D499	S495-E497 PolarHBondContact O-N 2.94Å; E497-D499 PolarHBondContact O-N 3.17Å
498	E	30.5	Very low	33.9	Very low	193 Å²	193	141.8 Å²	141.8	90%	0.902	71%	0.714	S	S	*	*			trans	-68.8	113.8	165.9	-74.6	-178.9	158.4	0	0	107.6	F496	F496-E498 PolarHBondContact O-N 2.86Å
499	D	31.1	Very low	33.8	Very low	237 Å²	237	147.5 Å²	147.5	100%	1.267	71%	0.706	S	S	*	*			trans	-87.5	0	159.3	-90.3	-26.9	0	0	0	110.5	E497	E497-D499 PolarHBondContact O-N 3.17Å

Retrieved 499 of 499 residues in 1625.5 ms (Link to these results)

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