A0A096LUF8_POEFO Loading...

Ankyrin repeat domain 13A

Ubiquitin-binding protein that specifically recognizes and binds 'Lys-63'-linked ubiquitin. Does not bind 'Lys-48'-linked ubiquitin. Positively regulates the internalization of ligand-activated EGFR by binding to the Ub moiety of ubiquitinated EGFR at the cell membrane.

AlphaFold DB , UniProt , Accession A0A096LUF8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 597 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	51.5	Low	71.4	Confident	205 Å²	205	84.1 Å²	84.1	100%	1.01	47%	0.468	S	S	*	.				0	134.9	0	-76.9	169.1	172.9	0	0	107.4	I6	M1-I6 HydrophobicContact CB-CG1 4.3Å
2	S	59.8	Low	72.5	Confident	90 Å²	90	82.3 Å²	82.3	63%	0.629	48%	0.482	S	S	*	.			trans	-66.8	147.8	176.9	-58.3	0	0	0	0	110.5	A4 S5 I6	S2-A4 PolarHBondContact O-N 2.79Å; S2-A4 VanDerWaalsContact O-N 3.15Å; S2-S5 WeakPolarHBondContact O-CB 3.47Å; S2-S5 PolarHBondContact O-N 3.36Å; S2-I6 PolarHBondContact O-N 3.42Å
3	T	61.1	Low	73.7	Confident	107 Å²	107	86 Å²	86	66%	0.656	49%	0.489	S	S	*	.	H	α-helix	trans	-51.6	-37.2	178.2	50.2	0	0	0	0	112.8	S5 I6 S7	T3-S5 VanDerWaalsContact C-N 3.34Å; T3-S5 PolarHBondContact O-N 3.48Å; T3-I6 PolarHBondContact O-N 3.08Å; T3-S7 PolarHBondContact O-N 3.44Å
4	A	63.5	Low	75	Confident	56 Å²	56	83.1 Å²	83.1	46%	0.463	47%	0.468	S	S	.	.	H	α-helix	trans	-58.2	-40.7	173.8	0	0	0	0	0	113.4	S2 I6 S7 E8	S2-A4 PolarHBondContact O-N 2.79Å; S2-A4 VanDerWaalsContact O-N 3.15Å; A4-I6 PolarHBondContact O-N 3.17Å; A4-S7 PolarHBondContact O-N 3Å; A4-S7 PolarHBondContact O-OG 2.98Å; A4-E8 PolarHBondContact O-N 2.94Å; A4-E8 VanDerWaalsContact O-N 3.15Å
5	S	69.9	Low	76.1	Confident	56 Å²	56	79.2 Å²	79.2	39%	0.392	45%	0.448	S	S	.	.	H	α-helix	trans	-70.3	-31.6	179.3	172.2	0	0	0	0	112.5	S2 T3 D9	S2-S5 WeakPolarHBondContact O-CB 3.47Å; S2-S5 PolarHBondContact O-N 3.36Å; T3-S5 VanDerWaalsContact C-N 3.34Å; T3-S5 PolarHBondContact O-N 3.48Å; S5-D9 PolarHBondContact O-N 2.96Å
6	I	72.6	Confident	77.3	Confident	60 Å²	60	74.6 Å²	74.6	31%	0.308	42%	0.421	S	S	.	.	H	α-helix	trans	-71.8	-42.3	175.8	-60	171.6	0	0	0	109.7	M1 S2 T3 A4 E8 D9 I10 E338	M1-I6 HydrophobicContact CB-CG1 4.3Å; S2-I6 PolarHBondContact O-N 3.42Å; T3-I6 PolarHBondContact O-N 3.08Å; A4-I6 PolarHBondContact O-N 3.17Å; I6-E8 VanDerWaalsContact C-N 3.27Å; I6-E8 PolarHBondContact O-N 3.41Å; I6-D9 PolarHBondContact O-N 3.5Å; I6-I10 HydrophobicContact CG2-CD1 4Å; I6-I10 WeakPolarHBondContact O-CG1 3.46Å; I6-I10 PolarHBondContact O-N 3.36Å; I6-E338 HydrophobicContact CB-CG 4.45Å; I6-E338 HydrophobicContact CG2-CB 4.26Å; I6-E338 HydrophobicContact CG2-CG 3.78Å
7	S	73.9	Confident	78.3	Confident	30 Å²	30	70.4 Å²	70.4	21%	0.21	40%	0.397	C	S	.	.	H	α-helix	trans	-62.7	-31.5	177	79	0	0	0	0	113.3	T3 A4 R11	T3-S7 PolarHBondContact O-N 3.44Å; A4-S7 PolarHBondContact O-N 3Å; A4-S7 PolarHBondContact O-OG 2.98Å; S7-R11 WeakPolarHBondContact O-CB 3.34Å; S7-R11 VanDerWaalsContact O-CG 3.26Å; S7-R11 WeakPolarHBondContact O-CG 3.4Å; S7-R11 PolarHBondContact O-N 3.41Å; S7-R11 VanDerWaalsContact O-N 3.17Å; S7-R11 PolarHBondContact O-NE 3.49Å; S7-R11 PolarHBondContact OG-NH2 3.46Å
8	E	78.9	Confident	79.1	Confident	128 Å²	128	66.7 Å²	66.7	60%	0.598	38%	0.377	S	S	*	.	H	α-helix	trans	-75	-38.4	175.9	-75.2	177.9	170.9	0	0	111.7	A4 I6 R11 G12	A4-E8 PolarHBondContact O-N 2.94Å; A4-E8 VanDerWaalsContact O-N 3.15Å; I6-E8 VanDerWaalsContact C-N 3.27Å; I6-E8 PolarHBondContact O-N 3.41Å; E8-R11 PolarHBondContact O-N 2.94Å; E8-G12 PolarHBondContact O-N 3.35Å
9	D	84.3	Confident	79.9	Confident	82 Å²	82	63.2 Å²	63.2	44%	0.439	36%	0.357	S	S	.	.	H	α-helix	trans	-64.4	-41.7	174.6	-171.7	40	0	0	0	111.7	S5 I6 G12 K13	S5-D9 PolarHBondContact O-N 2.96Å; I6-D9 PolarHBondContact O-N 3.5Å; D9-G12 PolarHBondContact O-N 2.99Å; D9-K13 WeakPolarHBondContact O-CG 3.36Å; D9-K13 PolarHBondContact O-N 3.43Å; D9-K13 WeakPolarHBondContact OD1-CE 3.32Å; D9-K13 IonicContact OD1-NZ 3.27Å; D9-K13 PolarHBondContact OD1-NZ 3.3Å; D9-K13 WeakPolarHBondContact OD2-CE 3.49Å; D9-K13 IonicContact OD2-NZ 2.71Å; D9-K13 PolarHBondContact OD2-NZ 2.96Å
10	I	84.8	Confident	80.6	Confident	18 Å²	18	60 Å²	60	9%	0.092	34%	0.339	C	S	.	.	H	α-helix	trans	-60.8	-47.2	173.7	-66.2	165.8	0	0	0	110.7	I6 G12 K13 F14 F341	I6-I10 HydrophobicContact CG2-CD1 4Å; I6-I10 WeakPolarHBondContact O-CG1 3.46Å; I6-I10 PolarHBondContact O-N 3.36Å; I10-G12 PolarHBondContact O-N 3.01Å; I10-K13 PolarHBondContact O-N 2.93Å; I10-F14 PolarHBondContact O-N 2.95Å; I10-F341 HydrophobicContact CD1-CB 4.06Å; I10-F341 HydrophobicContact CD1-CD2 4.43Å; I10-F341 HydrophobicContact CG1-CB 3.99Å; I10-F341 HydrophobicContact CG2-CB 3.93Å; I10-F341 HydrophobicContact CG2-CD1 4.28Å; I10-F341 HydrophobicContact CG2-CD2 3.54Å; I10-F341 HydrophobicContact CG2-CE2 4.11Å; I10-F341 HydrophobicContact CG2-CG 3.65Å
11	R	84.6	Confident	81.2	Confident	93 Å²	93	59.4 Å²	59.4	35%	0.351	33%	0.331	S	S	.	.	H	α-helix	trans	-63	-30.3	178.5	-77.7	179.6	-80.9	-179.1	-3.8	112.8	S7 E8 P15	S7-R11 WeakPolarHBondContact O-CB 3.34Å; S7-R11 VanDerWaalsContact O-CG 3.26Å; S7-R11 WeakPolarHBondContact O-CG 3.4Å; S7-R11 PolarHBondContact O-N 3.41Å; S7-R11 VanDerWaalsContact O-N 3.17Å; S7-R11 PolarHBondContact O-NE 3.49Å; S7-R11 PolarHBondContact OG-NH2 3.46Å; E8-R11 PolarHBondContact O-N 2.94Å; R11-P15 WeakPolarHBondContact O-CA 3.39Å
12	G	85.5	Confident	83	Confident	62 Å²	62	54.1 Å²	54.1	64%	0.639	30%	0.304	S	S	*	.	H	α-helix	trans	-74.4	-41.9	174.2	0	0	0	0	0	113.3	E8 D9 I10	E8-G12 PolarHBondContact O-N 3.35Å; D9-G12 PolarHBondContact O-N 2.99Å; I10-G12 PolarHBondContact O-N 3.01Å
13	K	87.9	Confident	84.6	Confident	131 Å²	131	53.9 Å²	53.9	57%	0.57	30%	0.296	S	S	*	.	H	α-helix	trans	-80.6	-39.5	-176.9	-72.2	172.5	177.8	163.6	0	113.7	D9 I10 P15	D9-K13 WeakPolarHBondContact O-CG 3.36Å; D9-K13 PolarHBondContact O-N 3.43Å; D9-K13 WeakPolarHBondContact OD1-CE 3.32Å; D9-K13 IonicContact OD1-NZ 3.27Å; D9-K13 PolarHBondContact OD1-NZ 3.3Å; D9-K13 WeakPolarHBondContact OD2-CE 3.49Å; D9-K13 IonicContact OD2-NZ 2.71Å; D9-K13 PolarHBondContact OD2-NZ 2.96Å; I10-K13 PolarHBondContact O-N 2.93Å; K13-P15 VanDerWaalsContact C-CD 3.45Å; K13-P15 WeakPolarHBondContact O-CD 3.4Å
14	F	91.4	Very high	86.2	Confident	46 Å²	46	51.7 Å²	51.7	20%	0.202	28%	0.28	C	S	.	.	S	Bend	trans	-128.3	64.7	-176.3	-55.1	-74.2	0	0	0	110.5	I10 L16 H17 S18 P44 F341	I10-F14 PolarHBondContact O-N 2.95Å; F14-L16 PolarHBondContact O-N 3.46Å; F14-H17 HydrophobicContact CB-CB 4.15Å; F14-H17 PolarHBondContact O-N 3.47Å; F14-S18 WeakPolarHBondContact O-CB 3.4Å; F14-S18 PolarHBondContact O-N 3.38Å; F14-S18 PolarHBondContact O-OG 2.97Å; F14-P44 HydrophobicContact CE1-CG 4.22Å; F14-P44 HydrophobicContact CE2-CG 3.71Å; F14-P44 HydrophobicContact CZ-CG 3.51Å; F14-F341 HydrophobicContact CB-CD1 4.3Å; F14-F341 HydrophobicContact CB-CE1 4.22Å; F14-F341 AromaticContact CD2-CD1 3.95Å; F14-F341 HydrophobicContact CD2-CD1 3.95Å; F14-F341 HydrophobicContact CG-CD1 4.2Å; F14-F341 HydrophobicContact CG-CE1 4.5Å
15	P	92.4	Very high	87.6	Confident	24 Å²	24	53.7 Å²	53.7	16%	0.156	28%	0.276	C	S	.	.	H	α-helix	trans	-58.2	-50.5	-172.6	20.8	-31.6	0	0	0	112	R11 K13 S18 A19 Q31 N37	R11-P15 WeakPolarHBondContact O-CA 3.39Å; K13-P15 VanDerWaalsContact C-CD 3.45Å; K13-P15 WeakPolarHBondContact O-CD 3.4Å; P15-S18 PolarHBondContact O-N 2.98Å; P15-S18 PolarHBondContact O-OG 2.88Å; P15-A19 PolarHBondContact O-N 3.32Å; P15-A19 VanDerWaalsContact O-N 3.13Å; P15-Q31 PolarHBondContact O-NE2 3.05Å; P15-Q31 PolarHBondContact O-OE1 3.37Å; P15-N37 WeakPolarHBondContact CG-OD1 3.43Å
16	L	94.6	Very high	88.8	Confident	5 Å²	5	58.6 Å²	58.6	3%	0.026	29%	0.286	C	S	.	.	H	α-helix	trans	-63.8	-47.6	-178.6	-59	-177.2	0	0	0	112.2	F14 S18 A19 V20 L28 Q31 I32 N37 D38 P49	F14-L16 PolarHBondContact O-N 3.46Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 3.4Å; L16-A19 PolarHBondContact O-N 3.3Å; L16-V20 WeakPolarHBondContact O-CG2 3.47Å; L16-V20 PolarHBondContact O-N 3.33Å; L16-L28 HydrophobicContact CB-CD1 4.16Å; L16-L28 HydrophobicContact CD2-CD1 3.94Å; L16-Q31 HydrophobicContact CD2-CB 3.62Å; L16-I32 HydrophobicContact CD2-CG1 3.77Å; L16-N37 HydrophobicContact CD1-CB 4.28Å; L16-N37 HydrophobicContact CD2-CB 4.3Å; L16-N37 HydrophobicContact CG-CB 4.28Å; L16-D38 WeakPolarHBondContact CD1-O 3.41Å; L16-P49 HydrophobicContact CB-CB 4.21Å; L16-P49 HydrophobicContact CB-CG 3.75Å; L16-P49 HydrophobicContact CD1-CG 4.05Å
17	H	94.8	Very high	89.8	Confident	3 Å²	3	57.7 Å²	57.7	1%	0.014	28%	0.28	C	S	.	.	H	α-helix	trans	-65.2	-35.2	179.6	-55.7	81.1	0	0	0	112.5	F14 V20 W21 A41 D43 R47 P49 L52 F341	F14-H17 HydrophobicContact CB-CB 4.15Å; F14-H17 PolarHBondContact O-N 3.47Å; H17-V20 PolarHBondContact O-N 3.15Å; H17-W21 WeakPolarHBondContact O-CB 3.48Å; H17-W21 PolarHBondContact O-N 3.1Å; H17-A41 PolarHBondContact CE1-O 2.95Å; H17-A41 PolarHBondContact NE2-O 3.19Å; H17-D43 IonicContact CD2-OD2 3.99Å; H17-D43 PolarHBondContact NE2-N 3.35Å; H17-R47 PolarHBondContact NE2-O 2.97Å; H17-P49 WeakPolarHBondContact NE2-CD 3.29Å; H17-L52 HydrophobicContact CB-CD2 3.82Å; H17-F341 HydrophobicContact CB-CE1 3.59Å; H17-F341 HydrophobicContact CB-CZ 3.79Å
18	S	92.6	Very high	90.8	Very high	4 Å²	4	56.3 Å²	56.3	3%	0.028	27%	0.27	C	S	.	.	H	α-helix	trans	-64.6	-41.8	174.6	72.8	0	0	0	0	112	F14 P15 L16 V20 W21 E22	F14-S18 WeakPolarHBondContact O-CB 3.4Å; F14-S18 PolarHBondContact O-N 3.38Å; F14-S18 PolarHBondContact O-OG 2.97Å; P15-S18 PolarHBondContact O-N 2.98Å; P15-S18 PolarHBondContact O-OG 2.88Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 3.4Å; S18-V20 VanDerWaalsContact C-N 3.31Å; S18-V20 PolarHBondContact O-N 3.4Å; S18-W21 PolarHBondContact O-N 3.01Å; S18-E22 WeakPolarHBondContact O-CB 3.4Å; S18-E22 VanDerWaalsContact O-CG 3.3Å; S18-E22 WeakPolarHBondContact O-CG 3.36Å; S18-E22 PolarHBondContact O-N 2.93Å
19	A	93.6	Very high	91.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.5	-35.2	175.2	0	0	0	0	0	112	P15 L16 N23 D24 K27 L28	P15-A19 PolarHBondContact O-N 3.32Å; P15-A19 VanDerWaalsContact O-N 3.13Å; L16-A19 PolarHBondContact O-N 3.3Å; A19-N23 PolarHBondContact O-N 3Å; A19-D24 PolarHBondContact O-N 2.88Å; A19-K27 HydrophobicContact CB-CB 4.38Å; A19-K27 HydrophobicContact CB-CD 4.22Å; A19-K27 HydrophobicContact CB-CG 4.08Å; A19-L28 HydrophobicContact CB-CB 4.04Å; A19-L28 HydrophobicContact CB-CD1 4.32Å
20	V	94.7	Very high	91.8	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-64.4	-46.7	173.1	170.8	0	0	0	0	111.2	L16 H17 S18 E22 N23 L28 P49 L52 A53 L56 H58 L61 L65	L16-V20 WeakPolarHBondContact O-CG2 3.47Å; L16-V20 PolarHBondContact O-N 3.33Å; H17-V20 PolarHBondContact O-N 3.15Å; S18-V20 VanDerWaalsContact C-N 3.31Å; S18-V20 PolarHBondContact O-N 3.4Å; V20-E22 VanDerWaalsContact C-N 3.31Å; V20-E22 PolarHBondContact O-N 3.34Å; V20-N23 PolarHBondContact O-N 2.93Å; V20-L28 HydrophobicContact CG2-CD1 4.02Å; V20-L28 HydrophobicContact CG2-CD2 3.9Å; V20-P49 HydrophobicContact CG2-CB 4.18Å; V20-L52 HydrophobicContact CB-CD2 4.15Å; V20-L52 HydrophobicContact CB-CG 4.47Å; V20-L52 HydrophobicContact CG1-CB 4.04Å; V20-L52 HydrophobicContact CG1-CD2 3.9Å; V20-L52 HydrophobicContact CG1-CG 3.69Å; V20-A53 HydrophobicContact CG1-CB 3.76Å; V20-L56 HydrophobicContact CG1-CD1 4.39Å; V20-H58 PolarHBondContact O-CD2 3.07Å; V20-L61 HydrophobicContact CB-CD1 4.18Å; V20-L61 HydrophobicContact CG1-CD1 4.03Å; V20-L61 HydrophobicContact CG2-CD1 4.31Å; V20-L61 WeakPolarHBondContact O-CD1 3.25Å; V20-L65 HydrophobicContact CG2-CD1 4.37Å
21	W	92	Very high	92.2	Very high	47 Å²	47	55.9 Å²	55.9	18%	0.178	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-38.3	179.2	-170.3	-77.9	0	0	0	112.7	H17 S18 N23 L52 L56 Y340 F341 I352	H17-W21 WeakPolarHBondContact O-CB 3.48Å; H17-W21 PolarHBondContact O-N 3.1Å; S18-W21 PolarHBondContact O-N 3.01Å; W21-N23 PolarHBondContact O-N 3.38Å; W21-L52 HydrophobicContact CE3-CD1 4.18Å; W21-L52 HydrophobicContact CZ3-CD1 4.4Å; W21-L56 HydrophobicContact CE3-CD1 4.24Å; W21-Y340 HydrophobicContact CE3-CD1 4.12Å; W21-Y340 HydrophobicContact CE3-CE1 4.47Å; W21-Y340 HydrophobicContact CE3-CG 4.29Å; W21-Y340 HydrophobicContact CH2-CD2 4.05Å; W21-Y340 AromaticContact CH2-CG 3.91Å; W21-Y340 HydrophobicContact CH2-CG 3.91Å; W21-Y340 AromaticContact CZ3-CD1 3.75Å; W21-Y340 HydrophobicContact CZ3-CD1 3.75Å; W21-Y340 AromaticContact CZ3-CD2 3.69Å; W21-Y340 HydrophobicContact CZ3-CD2 3.69Å; W21-Y340 HydrophobicContact CZ3-CE1 4.18Å; W21-Y340 HydrophobicContact CZ3-CE2 4.11Å; W21-Y340 AromaticContact CZ3-CG 3.5Å; W21-Y340 HydrophobicContact CZ3-CG 3.5Å; W21-Y340 VanDerWaalsContact CZ3-CG 3.5Å; W21-F341 HydrophobicContact CB-CE2 4.32Å; W21-F341 HydrophobicContact CD2-CE2 4.29Å; W21-F341 HydrophobicContact CE3-CE2 4.2Å; W21-F341 HydrophobicContact CE3-CZ 4.46Å; W21-F341 HydrophobicContact CG-CE2 4.34Å; W21-I352 HydrophobicContact CH2-CG2 3.73Å; W21-I352 HydrophobicContact CZ3-CD1 4.48Å; W21-I352 HydrophobicContact CZ3-CG2 3.87Å
22	E	91	Very high	92.5	Very high	94 Å²	94	52.6 Å²	52.6	44%	0.439	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-4.9	176	-68.8	169.3	-171	0	0	113.2	S18 V20 D24 K27	S18-E22 WeakPolarHBondContact O-CB 3.4Å; S18-E22 VanDerWaalsContact O-CG 3.3Å; S18-E22 WeakPolarHBondContact O-CG 3.36Å; S18-E22 PolarHBondContact O-N 2.93Å; V20-E22 VanDerWaalsContact C-N 3.31Å; V20-E22 PolarHBondContact O-N 3.34Å; E22-D24 VanDerWaalsContact C-N 3.29Å; E22-D24 PolarHBondContact O-N 3.16Å; E22-K27 IonicContact OE1-NZ 3.36Å; E22-K27 PolarHBondContact OE1-NZ 3.4Å; E22-K27 IonicContact OE2-NZ 2.63Å; E22-K27 PolarHBondContact OE2-NZ 2.94Å
23	N	93.3	Very high	92.7	Very high	85 Å²	85	57.7 Å²	57.7	46%	0.455	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	37.2	-173.9	-164.3	23.6	0	0	0	113.9	A19 V20 W21	A19-N23 PolarHBondContact O-N 3Å; V20-N23 PolarHBondContact O-N 2.93Å; W21-N23 PolarHBondContact O-N 3.38Å
24	D	94	Very high	92.8	Very high	61 Å²	61	56.2 Å²	56.2	33%	0.326	25%	0.252	S	S	.	.			trans	-105.7	95.8	-179.5	-172.3	-18	0	0	0	111.7	A19 E22 R26 K27 L28	A19-D24 PolarHBondContact O-N 2.88Å; E22-D24 VanDerWaalsContact C-N 3.29Å; E22-D24 PolarHBondContact O-N 3.16Å; D24-R26 VanDerWaalsContact C-N 3.3Å; D24-R26 PolarHBondContact O-N 2.93Å; D24-R26 PolarHBondContact OD1-N 3.44Å; D24-K27 HydrophobicContact CB-CB 3.94Å; D24-K27 PolarHBondContact O-N 2.93Å; D24-K27 PolarHBondContact OD1-N 2.98Å; D24-K27 WeakPolarHBondContact OD2-CB 3.42Å; D24-L28 WeakPolarHBondContact O-CB 3.48Å; D24-L28 PolarHBondContact O-N 2.94Å
25	Y	93.6	Very high	92	Very high	98 Å²	98	63.8 Å²	63.8	38%	0.384	29%	0.288	S	S	.	.	H	α-helix	trans	-68.3	-27.5	-178.5	75.4	-89.3	0	0	0	113.5	E29 L61	Y25-E29 WeakPolarHBondContact O-CB 3.46Å; Y25-E29 PolarHBondContact O-N 3.28Å; Y25-L61 VanDerWaalsContact CB-CD2 3.48Å
26	R	94.2	Very high	91.5	Very high	159 Å²	159	71.5 Å²	71.5	60%	0.6	32%	0.322	S	S	*	.	H	α-helix	trans	-75.1	-44.8	-179.8	-62.9	-177.2	-177.1	-178.2	0.3	110.1	D24 L28 E29 Q30	D24-R26 VanDerWaalsContact C-N 3.3Å; D24-R26 PolarHBondContact O-N 2.93Å; D24-R26 PolarHBondContact OD1-N 3.44Å; R26-L28 VanDerWaalsContact C-N 3.33Å; R26-E29 PolarHBondContact O-N 3.47Å; R26-Q30 VanDerWaalsContact O-CG 3.28Å; R26-Q30 WeakPolarHBondContact O-CG 3.42Å; R26-Q30 PolarHBondContact O-N 3.36Å
27	K	93.6	Very high	91.2	Very high	42 Å²	42	73 Å²	73	18%	0.183	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-42.6	174.4	-177.2	179.1	170.5	-170.7	0	110.8	A19 E22 D24 Q30 Q31	A19-K27 HydrophobicContact CB-CB 4.38Å; A19-K27 HydrophobicContact CB-CD 4.22Å; A19-K27 HydrophobicContact CB-CG 4.08Å; E22-K27 IonicContact OE1-NZ 3.36Å; E22-K27 PolarHBondContact OE1-NZ 3.4Å; E22-K27 IonicContact OE2-NZ 2.63Å; E22-K27 PolarHBondContact OE2-NZ 2.94Å; D24-K27 HydrophobicContact CB-CB 3.94Å; D24-K27 PolarHBondContact O-N 2.93Å; D24-K27 PolarHBondContact OD1-N 2.98Å; D24-K27 WeakPolarHBondContact OD2-CB 3.42Å; K27-Q30 PolarHBondContact O-N 3.32Å; K27-Q31 WeakPolarHBondContact O-CB 3.24Å; K27-Q31 VanDerWaalsContact O-CG 3.32Å; K27-Q31 WeakPolarHBondContact O-CG 3.43Å; K27-Q31 PolarHBondContact O-N 2.98Å
28	L	94.5	Very high	90.9	Very high	0 Å²	0	77.4 Å²	77.4	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-58.6	-50.3	174.8	-178.4	62.5	0	0	0	111.4	L16 A19 V20 D24 R26 Q30 Q31 I32 L61 L65	L16-L28 HydrophobicContact CB-CD1 4.16Å; L16-L28 HydrophobicContact CD2-CD1 3.94Å; A19-L28 HydrophobicContact CB-CB 4.04Å; A19-L28 HydrophobicContact CB-CD1 4.32Å; V20-L28 HydrophobicContact CG2-CD1 4.02Å; V20-L28 HydrophobicContact CG2-CD2 3.9Å; D24-L28 WeakPolarHBondContact O-CB 3.48Å; D24-L28 PolarHBondContact O-N 2.94Å; R26-L28 VanDerWaalsContact C-N 3.33Å; L28-Q30 VanDerWaalsContact C-N 3.33Å; L28-Q30 PolarHBondContact O-N 3.35Å; L28-Q31 PolarHBondContact O-N 3.26Å; L28-Q31 VanDerWaalsContact O-N 3.16Å; L28-I32 HydrophobicContact CD1-CD1 4.05Å; L28-I32 HydrophobicContact CD1-CG1 4.26Å; L28-I32 HydrophobicContact CD2-CD1 4.48Å; L28-I32 HydrophobicContact CG-CD1 3.81Å; L28-I32 HydrophobicContact CG-CG1 4.43Å; L28-I32 VanDerWaalsContact O-CG1 3.29Å; L28-I32 WeakPolarHBondContact O-CG1 3.47Å; L28-I32 PolarHBondContact O-N 3.15Å; L28-L61 HydrophobicContact CB-CD2 4.28Å; L28-L61 HydrophobicContact CD2-CB 4.09Å; L28-L61 HydrophobicContact CD2-CD2 3.64Å; L28-L61 HydrophobicContact CD2-CG 4.37Å; L28-L65 HydrophobicContact CD1-CD2 4.41Å; L28-L65 HydrophobicContact CD2-CD1 4.16Å; L28-L65 HydrophobicContact CD2-CD2 4.17Å; L28-L65 HydrophobicContact CD2-CG 3.93Å
29	E	93.4	Very high	90.9	Very high	62 Å²	62	78.5 Å²	78.5	29%	0.29	36%	0.359	S	S	.	.	H	α-helix	trans	-61.1	-40.3	179.3	-169.8	-178.6	-175.6	0	0	112.3	Y25 R26 I32 R33 V64	Y25-E29 WeakPolarHBondContact O-CB 3.46Å; Y25-E29 PolarHBondContact O-N 3.28Å; R26-E29 PolarHBondContact O-N 3.47Å; E29-I32 PolarHBondContact O-N 2.94Å; E29-R33 WeakPolarHBondContact O-CG 3.39Å; E29-R33 PolarHBondContact O-N 3.49Å; E29-R33 IonicContact OE1-CZ 3.69Å; E29-R33 IonicContact OE1-NE 3.95Å; E29-R33 IonicContact OE1-NH2 2.73Å; E29-R33 PolarHBondContact OE1-NH2 3.39Å; E29-V64 HydrophobicContact CB-CG1 4.14Å; E29-V64 HydrophobicContact CG-CG1 4.45Å
30	Q	92.4	Very high	90.9	Very high	131 Å²	131	79.9 Å²	79.9	61%	0.612	37%	0.366	S	S	*	.	H	α-helix	trans	-62.2	-43.5	174.7	-73.9	173.7	10.7	0	0	111.9	R26 K27 L28 R33	R26-Q30 VanDerWaalsContact O-CG 3.28Å; R26-Q30 WeakPolarHBondContact O-CG 3.42Å; R26-Q30 PolarHBondContact O-N 3.36Å; K27-Q30 PolarHBondContact O-N 3.32Å; L28-Q30 VanDerWaalsContact C-N 3.33Å; L28-Q30 PolarHBondContact O-N 3.35Å; Q30-R33 PolarHBondContact O-N 2.96Å
31	Q	91.6	Very high	90.9	Very high	27 Å²	27	81.7 Å²	81.7	13%	0.126	38%	0.38	C	S	.	.	H	α-helix	trans	-70	-36.6	-179.8	-73.1	176.7	-24.9	0	0	112.5	P15 L16 K27 L28 R33 L34 N37	P15-Q31 PolarHBondContact O-NE2 3.05Å; P15-Q31 PolarHBondContact O-OE1 3.37Å; L16-Q31 HydrophobicContact CD2-CB 3.62Å; K27-Q31 WeakPolarHBondContact O-CB 3.24Å; K27-Q31 VanDerWaalsContact O-CG 3.32Å; K27-Q31 WeakPolarHBondContact O-CG 3.43Å; K27-Q31 PolarHBondContact O-N 2.98Å; L28-Q31 PolarHBondContact O-N 3.26Å; L28-Q31 VanDerWaalsContact O-N 3.16Å; Q31-R33 PolarHBondContact O-N 3.35Å; Q31-L34 WeakPolarHBondContact O-CB 3.43Å; Q31-L34 PolarHBondContact O-N 3.49Å; Q31-L34 VanDerWaalsContact O-N 3.14Å; Q31-N37 PolarHBondContact O-ND2 3.21Å
32	I	92.6	Very high	91	Very high	23 Å²	23	83.2 Å²	83.2	12%	0.118	40%	0.395	C	S	.	.	H	α-helix	trans	-62.6	-33.4	176.3	-68.6	167.2	0	0	0	111.3	L16 L28 E29 L34 I39 V64 L65 H68	L16-I32 HydrophobicContact CD2-CG1 3.77Å; L28-I32 HydrophobicContact CD1-CD1 4.05Å; L28-I32 HydrophobicContact CD1-CG1 4.26Å; L28-I32 HydrophobicContact CD2-CD1 4.48Å; L28-I32 HydrophobicContact CG-CD1 3.81Å; L28-I32 HydrophobicContact CG-CG1 4.43Å; L28-I32 VanDerWaalsContact O-CG1 3.29Å; L28-I32 WeakPolarHBondContact O-CG1 3.47Å; L28-I32 PolarHBondContact O-N 3.15Å; E29-I32 PolarHBondContact O-N 2.94Å; I32-L34 PolarHBondContact O-N 3.35Å; I32-I39 HydrophobicContact CD1-CD1 4.4Å; I32-I39 HydrophobicContact CG2-CD1 4.34Å; I32-V64 HydrophobicContact CD1-CG1 4.1Å; I32-L65 HydrophobicContact CD1-CD2 3.78Å; I32-H68 HydrophobicContact CG2-CB 3.75Å
33	R	89.7	Confident	91.1	Very high	169 Å²	169	79 Å²	79	64%	0.638	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-15	177.8	-69.3	175.5	-172	-171.6	3.8	113.6	E29 Q30 Q31 Q35	E29-R33 WeakPolarHBondContact O-CG 3.39Å; E29-R33 PolarHBondContact O-N 3.49Å; E29-R33 IonicContact OE1-CZ 3.69Å; E29-R33 IonicContact OE1-NE 3.95Å; E29-R33 IonicContact OE1-NH2 2.73Å; E29-R33 PolarHBondContact OE1-NH2 3.39Å; Q30-R33 PolarHBondContact O-N 2.96Å; Q31-R33 PolarHBondContact O-N 3.35Å; R33-Q35 PolarHBondContact O-N 3.21Å
34	L	89.7	Confident	91	Very high	100 Å²	100	76.8 Å²	76.8	52%	0.524	37%	0.366	S	S	.	.	S	Bend	trans	-79.7	118.2	176	-58.6	173.9	0	0	0	109.1	Q31 I32 Q36 N37	Q31-L34 WeakPolarHBondContact O-CB 3.43Å; Q31-L34 PolarHBondContact O-N 3.49Å; Q31-L34 VanDerWaalsContact O-N 3.14Å; I32-L34 PolarHBondContact O-N 3.35Å; L34-Q36 PolarHBondContact O-N 3.48Å; L34-N37 PolarHBondContact O-N 2.87Å
35	Q	73.6	Confident	90.8	Very high	205 Å²	205	76.5 Å²	76.5	96%	0.958	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-17.9	-176.9	-72.9	-177.5	-4.5	0	0	115	R33 N37	R33-Q35 PolarHBondContact O-N 3.21Å; Q35-N37 VanDerWaalsContact C-N 3.34Å
36	Q	82.4	Confident	90.7	Very high	186 Å²	186	72.6 Å²	72.6	87%	0.869	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-19.2	179.3	-168.8	174.5	10.2	0	0	113.1	L34	L34-Q36 PolarHBondContact O-N 3.48Å
37	N	87.3	Confident	90.7	Very high	36 Å²	36	65.4 Å²	65.4	19%	0.193	32%	0.323	C	S	.	.			trans	-93.8	115.4	-176.1	-67.1	-29.7	0	0	0	110.4	P15 L16 Q31 L34 Q35 I39	P15-N37 WeakPolarHBondContact CG-OD1 3.43Å; L16-N37 HydrophobicContact CD1-CB 4.28Å; L16-N37 HydrophobicContact CD2-CB 4.3Å; L16-N37 HydrophobicContact CG-CB 4.28Å; Q31-N37 PolarHBondContact O-ND2 3.21Å; L34-N37 PolarHBondContact O-N 2.87Å; Q35-N37 VanDerWaalsContact C-N 3.34Å; N37-I39 PolarHBondContact O-N 3.31Å
38	D	89.9	Confident	90.8	Very high	96 Å²	96	63.5 Å²	63.5	51%	0.513	31%	0.314	S	S	.	.			trans	-78.5	118.6	171.8	179.1	12.8	0	0	0	110.1	L16 E40 A41	L16-D38 WeakPolarHBondContact CD1-O 3.41Å; D38-E40 PolarHBondContact O-N 3.3Å; D38-E40 WeakPolarHBondContact OD1-CB 3.33Å; D38-E40 PolarHBondContact OD1-N 3.1Å; D38-A41 HydrophobicContact CB-CB 4.21Å; D38-A41 WeakPolarHBondContact O-CB 3.49Å; D38-A41 PolarHBondContact O-N 3.17Å; D38-A41 VanDerWaalsContact O-N 3.12Å
39	I	92.9	Very high	90.9	Very high	27 Å²	27	63.5 Å²	63.5	14%	0.138	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.1	177.1	-163.9	167.8	0	0	0	112.3	I32 N37 P49 L65 H68 A70	I32-I39 HydrophobicContact CD1-CD1 4.4Å; I32-I39 HydrophobicContact CG2-CD1 4.34Å; N37-I39 PolarHBondContact O-N 3.31Å; I39-P49 VanDerWaalsContact O-CD 3.27Å; I39-P49 WeakPolarHBondContact O-CD 3.42Å; I39-L65 HydrophobicContact CD1-CD2 4.07Å; I39-L65 HydrophobicContact CG1-CD2 3.94Å; I39-H68 HydrophobicContact CD1-CB 3.75Å; I39-A70 HydrophobicContact CD1-CB 3.85Å; I39-A70 HydrophobicContact CG1-CB 4.08Å
40	E	93.6	Very high	91	Very high	30 Å²	30	60.6 Å²	60.6	14%	0.14	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	5.5	179.3	-64.7	-55	137.3	0	0	113.1	D38 A70 S71 K74	D38-E40 PolarHBondContact O-N 3.3Å; D38-E40 WeakPolarHBondContact OD1-CB 3.33Å; D38-E40 PolarHBondContact OD1-N 3.1Å; E40-A70 VanDerWaalsContact OE1-CA 3.27Å; E40-A70 WeakPolarHBondContact OE1-CA 3.47Å; E40-S71 PolarHBondContact OE1-N 3.04Å; E40-K74 PolarHBondContact O-NZ 2.93Å; E40-K74 WeakPolarHBondContact OE2-CD 3.15Å; E40-K74 IonicContact OE2-NZ 2.68Å
41	A	92.8	Very high	91.2	Very high	37 Å²	37	54.4 Å²	54.4	31%	0.306	27%	0.272	S	S	.	.			trans	-56.4	144.5	176.5	0	0	0	0	0	111.1	H17 D38 T48 P49	H17-A41 PolarHBondContact CE1-O 2.95Å; H17-A41 PolarHBondContact NE2-O 3.19Å; D38-A41 HydrophobicContact CB-CB 4.21Å; D38-A41 WeakPolarHBondContact O-CB 3.49Å; D38-A41 PolarHBondContact O-N 3.17Å; D38-A41 VanDerWaalsContact O-N 3.12Å; A41-T48 WeakPolarHBondContact O-CA 3.5Å; A41-P49 VanDerWaalsContact O-CD 3.31Å; A41-P49 WeakPolarHBondContact O-CD 3.42Å
42	V	94.1	Very high	91.3	Very high	79 Å²	79	53.1 Å²	53.1	48%	0.479	27%	0.266	S	S	.	.			trans	-101.8	141.7	178.8	-65.2	0	0	0	0	110.9	R47	V42-R47 WeakPolarHBondContact CA-O 3.32Å
43	D	93.1	Very high	91.5	Very high	6 Å²	6	52 Å²	52	3%	0.032	26%	0.26	C	S	.	.			trans	-76.9	175.8	169.5	70.3	9.9	0	0	0	111.2	H17 R45 G46 R47 Y340 F341	H17-D43 IonicContact CD2-OD2 3.99Å; H17-D43 PolarHBondContact NE2-N 3.35Å; D43-R45 PolarHBondContact O-N 3.09Å; D43-R45 VanDerWaalsContact OD1-C 3.23Å; D43-R45 VanDerWaalsContact OD1-CA 3.3Å; D43-R45 WeakPolarHBondContact OD1-CA 3.43Å; D43-R45 WeakPolarHBondContact OD1-CB 3.22Å; D43-R45 PolarHBondContact OD1-N 3.41Å; D43-G46 PolarHBondContact O-N 3.18Å; D43-G46 PolarHBondContact OD1-N 2.96Å; D43-R47 PolarHBondContact N-O 3.29Å; D43-R47 PolarHBondContact OD1-N 3.19Å; D43-Y340 WeakPolarHBondContact OD2-CE1 3.47Å; D43-Y340 VanDerWaalsContact OD2-CZ 3.3Å; D43-Y340 PolarHBondContact OD2-OH 2.76Å; D43-F341 HydrophobicContact CB-CE1 4.28Å
44	P	91.4	Very high	91.7	Very high	39 Å²	39	44 Å²	44	25%	0.253	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-14.1	176.3	-27.5	38.5	0	0	0	115	F14 F341 P343	F14-P44 HydrophobicContact CE1-CG 4.22Å; F14-P44 HydrophobicContact CE2-CG 3.71Å; F14-P44 HydrophobicContact CZ-CG 3.51Å; P44-F341 WeakPolarHBondContact CG-O 3.39Å; P44-P343 HydrophobicContact CB-CB 4.19Å
45	R	89.8	Confident	91.8	Very high	55 Å²	55	39.6 Å²	39.6	21%	0.208	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	5.3	177.4	-50.6	-53.5	174.5	-165	7.2	111.9	D43 E339 Y340 N342 F345	D43-R45 PolarHBondContact O-N 3.09Å; D43-R45 VanDerWaalsContact OD1-C 3.23Å; D43-R45 VanDerWaalsContact OD1-CA 3.3Å; D43-R45 WeakPolarHBondContact OD1-CA 3.43Å; D43-R45 WeakPolarHBondContact OD1-CB 3.22Å; D43-R45 PolarHBondContact OD1-N 3.41Å; R45-E339 PolarHBondContact NH2-O 2.68Å; R45-Y340 HydrophobicContact CG-CD2 4.31Å; R45-Y340 HydrophobicContact CG-CE1 4.23Å; R45-Y340 HydrophobicContact CG-CE2 3.8Å; R45-Y340 PolarHBondContact NE-O 2.95Å; R45-Y340 PolarHBondContact NH2-O 3Å; R45-N342 PolarHBondContact NH2-O 2.82Å; R45-F345 PolarHBondContact NH1-O 3.19Å; R45-F345 PolarHBondContact NH2-O 2.69Å
46	G	91.6	Very high	92.6	Very high	16 Å²	16	30.3 Å²	30.3	17%	0.165	16%	0.164	C	C	.	.	S	Bend	trans	72.7	24.9	178.4	0	0	0	0	0	114	D43 N76 A77	D43-G46 PolarHBondContact O-N 3.18Å; D43-G46 PolarHBondContact OD1-N 2.96Å; G46-N76 VanDerWaalsContact O-CA 3.32Å; G46-N76 WeakPolarHBondContact O-CA 3.43Å; G46-A77 PolarHBondContact O-N 3.14Å
47	R	94.3	Very high	93	Very high	8 Å²	8	23 Å²	23	3%	0.03	14%	0.139	C	C	.	.			trans	-100.5	139.4	175	-69.6	-175.2	172	113.5	-0.4	110.7	H17 V42 D43 H51 N76 Y340 D351	H17-R47 PolarHBondContact NE2-O 2.97Å; V42-R47 WeakPolarHBondContact CA-O 3.32Å; D43-R47 PolarHBondContact N-O 3.29Å; D43-R47 PolarHBondContact OD1-N 3.19Å; R47-H51 HydrophobicContact CB-CB 3.78Å; R47-H51 HydrophobicContact CG-CB 4.03Å; R47-N76 HydrophobicContact CG-CB 4.45Å; R47-Y340 PolarHBondContact NH1-OH 3.44Å; R47-D351 IonicContact CZ-OD1 2.7Å; R47-D351 IonicContact CZ-OD2 2.94Å; R47-D351 IonicContact NH1-OD1 3.76Å; R47-D351 PolarHBondContact NH1-OD1 3.3Å; R47-D351 IonicContact NH1-OD2 3.54Å; R47-D351 IonicContact NH2-OD1 3.83Å; R47-D351 PolarHBondContact NH2-OD1 3.18Å; R47-D351 IonicContact NH2-OD2 2.69Å; R47-D351 PolarHBondContact NH2-OD2 3.34Å
48	T	95.9	Very high	93.3	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.012	14%	0.136	C	C	.	.			trans	-73.4	164.6	165.8	66.9	0	0	0	0	110.5	A41 L50 H51 L52 K74	A41-T48 WeakPolarHBondContact O-CA 3.5Å; T48-L50 PolarHBondContact O-N 2.88Å; T48-L50 VanDerWaalsContact O-N 3.17Å; T48-L50 PolarHBondContact OG1-N 3.2Å; T48-H51 PolarHBondContact O-N 2.78Å; T48-H51 VanDerWaalsContact O-N 3.11Å; T48-H51 PolarHBondContact OG1-N 3.3Å; T48-H51 PolarHBondContact OG1-ND1 3.41Å; T48-L52 PolarHBondContact O-N 2.84Å; T48-K74 HydrophobicContact CG2-CD 3.75Å; T48-K74 HydrophobicContact CG2-CG 4.3Å
49	P	96.3	Very high	93.6	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-53.9	-34.7	172.3	-25.5	34.8	0	0	0	112.2	L16 H17 V20 I39 A41 L52 A53 L65	L16-P49 HydrophobicContact CB-CB 4.21Å; L16-P49 HydrophobicContact CB-CG 3.75Å; L16-P49 HydrophobicContact CD1-CG 4.05Å; H17-P49 WeakPolarHBondContact NE2-CD 3.29Å; V20-P49 HydrophobicContact CG2-CB 4.18Å; I39-P49 VanDerWaalsContact O-CD 3.27Å; I39-P49 WeakPolarHBondContact O-CD 3.42Å; A41-P49 VanDerWaalsContact O-CD 3.31Å; A41-P49 WeakPolarHBondContact O-CD 3.42Å; P49-L52 PolarHBondContact O-N 3.18Å; P49-A53 WeakPolarHBondContact O-CB 3.36Å; P49-A53 PolarHBondContact O-N 3.48Å; P49-L65 HydrophobicContact CB-CD1 4.18Å; P49-L65 HydrophobicContact CB-CD2 4Å
50	L	97	Very high	93.7	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-68.2	-45.2	176.7	-178.4	61.9	0	0	0	112.4	T48 L52 A53 V54 V62 L65 L66 A70 V72 V82	T48-L50 PolarHBondContact O-N 2.88Å; T48-L50 VanDerWaalsContact O-N 3.17Å; T48-L50 PolarHBondContact OG1-N 3.2Å; L50-L52 VanDerWaalsContact C-N 3.3Å; L50-L52 PolarHBondContact O-N 2.85Å; L50-A53 PolarHBondContact O-N 2.92Å; L50-V54 HydrophobicContact CD1-CG2 4.42Å; L50-V54 WeakPolarHBondContact O-CG2 3.4Å; L50-V54 PolarHBondContact O-N 2.85Å; L50-V62 HydrophobicContact CD1-CB 4.39Å; L50-V62 HydrophobicContact CD1-CG1 3.81Å; L50-V62 HydrophobicContact CD1-CG2 4.42Å; L50-L65 HydrophobicContact CB-CD1 4.27Å; L50-L65 HydrophobicContact CD1-CB 4.09Å; L50-L65 HydrophobicContact CD1-CD1 4.36Å; L50-L66 HydrophobicContact CD1-CD2 3.94Å; L50-L66 HydrophobicContact CD1-CG 4.24Å; L50-L66 HydrophobicContact CD2-CD2 3.64Å; L50-L66 HydrophobicContact CG-CD2 4.47Å; L50-A70 HydrophobicContact CB-CB 4.22Å; L50-A70 HydrophobicContact CD2-CB 3.86Å; L50-V72 HydrophobicContact CD2-CG1 4.17Å; L50-V82 HydrophobicContact CD1-CG1 4.44Å; L50-V82 HydrophobicContact CD2-CB 4.46Å; L50-V82 HydrophobicContact CD2-CG1 3.9Å; L50-V82 HydrophobicContact CD2-CG2 3.96Å; L50-V82 HydrophobicContact CG-CG1 3.77Å; L50-V82 HydrophobicContact CG-CG2 4.16Å
51	H	95.6	Very high	93.8	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-57.7	-45.8	172.7	-75.6	97.2	0	0	0	111.3	R47 T48 V54 S55 K74 W80	R47-H51 HydrophobicContact CB-CB 3.78Å; R47-H51 HydrophobicContact CG-CB 4.03Å; T48-H51 PolarHBondContact O-N 2.78Å; T48-H51 VanDerWaalsContact O-N 3.11Å; T48-H51 PolarHBondContact OG1-N 3.3Å; T48-H51 PolarHBondContact OG1-ND1 3.41Å; H51-V54 PolarHBondContact O-N 2.99Å; H51-S55 WeakPolarHBondContact O-CB 3.22Å; H51-S55 PolarHBondContact O-N 3.12Å; H51-S55 PolarHBondContact O-OG 2.79Å; H51-K74 PolarHBondContact CE1-O 2.85Å; H51-K74 PolarHBondContact NE2-O 2.77Å; H51-W80 PolarHBondContact NE2-O 3.24Å
52	L	94.8	Very high	94	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.2	-45.4	179.7	-178.3	60.4	0	0	0	111.5	H17 V20 W21 T48 P49 L50 V54 S55 L56 Y340 F341 I352	H17-L52 HydrophobicContact CB-CD2 3.82Å; V20-L52 HydrophobicContact CB-CD2 4.15Å; V20-L52 HydrophobicContact CB-CG 4.47Å; V20-L52 HydrophobicContact CG1-CB 4.04Å; V20-L52 HydrophobicContact CG1-CD2 3.9Å; V20-L52 HydrophobicContact CG1-CG 3.69Å; W21-L52 HydrophobicContact CE3-CD1 4.18Å; W21-L52 HydrophobicContact CZ3-CD1 4.4Å; T48-L52 PolarHBondContact O-N 2.84Å; P49-L52 PolarHBondContact O-N 3.18Å; L50-L52 VanDerWaalsContact C-N 3.3Å; L50-L52 PolarHBondContact O-N 2.85Å; L52-V54 VanDerWaalsContact C-N 3.31Å; L52-V54 PolarHBondContact O-N 3.18Å; L52-S55 PolarHBondContact O-N 3.21Å; L52-L56 HydrophobicContact CD1-CD1 3.79Å; L52-L56 HydrophobicContact CD1-CG 4.07Å; L52-L56 HydrophobicContact CG-CD1 3.93Å; L52-L56 WeakPolarHBondContact O-CB 3.44Å; L52-L56 VanDerWaalsContact O-CG 3.3Å; L52-L56 WeakPolarHBondContact O-CG 3.15Å; L52-L56 PolarHBondContact O-N 3.3Å; L52-Y340 HydrophobicContact CD1-CE1 4.3Å; L52-F341 HydrophobicContact CD2-CZ 4.36Å; L52-I352 HydrophobicContact CD1-CD1 3.27Å
53	A	95.5	Very high	94	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.9	-39.2	178.4	0	0	0	0	0	112.2	V20 P49 L50 G57 H58 L61 V62 L65	V20-A53 HydrophobicContact CG1-CB 3.76Å; P49-A53 WeakPolarHBondContact O-CB 3.36Å; P49-A53 PolarHBondContact O-N 3.48Å; L50-A53 PolarHBondContact O-N 2.92Å; A53-G57 PolarHBondContact O-N 2.8Å; A53-G57 VanDerWaalsContact O-N 3.15Å; A53-H58 PolarHBondContact O-N 3.14Å; A53-L61 HydrophobicContact CB-CB 4.02Å; A53-V62 HydrophobicContact CB-CG2 3.72Å; A53-L65 HydrophobicContact CB-CD1 3.98Å
54	V	94.9	Very high	94.1	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-67.9	-49.2	175.7	170.6	0	0	0	0	111.2	L50 H51 L52 L56 G57 V62 V82 E85 A86 T89 M94 V98	L50-V54 HydrophobicContact CD1-CG2 4.42Å; L50-V54 WeakPolarHBondContact O-CG2 3.4Å; L50-V54 PolarHBondContact O-N 2.85Å; H51-V54 PolarHBondContact O-N 2.99Å; L52-V54 VanDerWaalsContact C-N 3.31Å; L52-V54 PolarHBondContact O-N 3.18Å; V54-L56 PolarHBondContact O-N 3.15Å; V54-G57 PolarHBondContact O-N 3.47Å; V54-V62 HydrophobicContact CG2-CG1 4.27Å; V54-V62 HydrophobicContact CG2-CG2 3.72Å; V54-V82 HydrophobicContact CG2-CG1 3.84Å; V54-E85 HydrophobicContact CG1-CB 4.08Å; V54-A86 VanDerWaalsContact CG1-CA 3.45Å; V54-A86 HydrophobicContact CG1-CB 3.83Å; V54-T89 HydrophobicContact CG1-CG2 4.18Å; V54-T89 WeakPolarHBondContact O-CG2 3.48Å; V54-M94 HydrophobicContact CG1-CG 4.37Å; V54-M94 HydrophobicContact CG2-SD 4.07Å; V54-V98 HydrophobicContact CG2-CG2 4.4Å
55	S	91.6	Very high	94.3	Very high	8 Å²	8	17.1 Å²	17.1	6%	0.056	9%	0.091	C	C	.	.	H	α-helix	trans	-61.1	-31	178.8	-63.4	0	0	0	0	112.8	H51 L52 G353	H51-S55 WeakPolarHBondContact O-CB 3.22Å; H51-S55 PolarHBondContact O-N 3.12Å; H51-S55 PolarHBondContact O-OG 2.79Å; L52-S55 PolarHBondContact O-N 3.21Å; S55-G353 WeakPolarHBondContact O-CA 3.48Å
56	L	90.9	Very high	94.5	Very high	10 Å²	10	14.9 Å²	14.9	5%	0.052	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-3.5	175.2	-65.2	175.9	0	0	0	114	V20 W21 L52 V54 H58 T330 I352	V20-L56 HydrophobicContact CG1-CD1 4.39Å; W21-L56 HydrophobicContact CE3-CD1 4.24Å; L52-L56 HydrophobicContact CD1-CD1 3.79Å; L52-L56 HydrophobicContact CD1-CG 4.07Å; L52-L56 HydrophobicContact CG-CD1 3.93Å; L52-L56 WeakPolarHBondContact O-CB 3.44Å; L52-L56 VanDerWaalsContact O-CG 3.3Å; L52-L56 WeakPolarHBondContact O-CG 3.15Å; L52-L56 PolarHBondContact O-N 3.3Å; V54-L56 PolarHBondContact O-N 3.15Å; L56-H58 PolarHBondContact O-CE1 2.7Å; L56-H58 PolarHBondContact O-ND1 2.69Å; L56-T330 WeakPolarHBondContact O-CB 3.19Å; L56-T330 WeakPolarHBondContact O-CG2 3.35Å; L56-I352 HydrophobicContact CD2-CB 4.31Å; L56-I352 HydrophobicContact CD2-CD1 4.13Å; L56-I352 HydrophobicContact CG-CD1 4.3Å
57	G	90.6	Very high	94.5	Very high	32 Å²	32	22.9 Å²	22.9	33%	0.33	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	26.2	178.6	0	0	0	0	0	114.9	A53 V54 L59	A53-G57 PolarHBondContact O-N 2.8Å; A53-G57 VanDerWaalsContact O-N 3.15Å; V54-G57 PolarHBondContact O-N 3.47Å; G57-L59 PolarHBondContact O-N 2.93Å
58	H	93.6	Very high	94.4	Very high	31 Å²	31	26.2 Å²	26.2	14%	0.144	12%	0.124	C	C	.	.			trans	-91.7	80	-174.1	-64	-18.7	0	0	0	112.6	V20 A53 L56 E60 L61 V62	V20-H58 PolarHBondContact O-CD2 3.07Å; A53-H58 PolarHBondContact O-N 3.14Å; L56-H58 PolarHBondContact O-CE1 2.7Å; L56-H58 PolarHBondContact O-ND1 2.69Å; H58-E60 PolarHBondContact O-N 2.85Å; H58-L61 HydrophobicContact CB-CB 4.08Å; H58-L61 HydrophobicContact CB-CD1 3.68Å; H58-L61 HydrophobicContact CB-CG 3.96Å; H58-L61 PolarHBondContact O-N 3.06Å; H58-L61 VanDerWaalsContact O-N 3.1Å; H58-V62 WeakPolarHBondContact O-CG2 3.18Å; H58-V62 PolarHBondContact O-N 2.89Å; H58-V62 VanDerWaalsContact O-N 3.08Å
59	L	94.4	Very high	94	Very high	35 Å²	35	28.4 Å²	28.4	18%	0.183	15%	0.147	C	C	.	.	H	α-helix	trans	-49.6	-47.2	-176	-78.7	166.2	0	0	0	114.4	G57 L61 V62 R63 E93 M94	G57-L59 PolarHBondContact O-N 2.93Å; L59-L61 VanDerWaalsContact C-N 3.34Å; L59-L61 PolarHBondContact O-N 3.12Å; L59-V62 PolarHBondContact O-N 2.91Å; L59-R63 WeakPolarHBondContact O-CG 3.24Å; L59-R63 PolarHBondContact O-N 3.21Å; L59-E93 HydrophobicContact CD1-CB 4.49Å; L59-E93 HydrophobicContact CD1-CG 4.44Å; L59-E93 HydrophobicContact CD2-CB 4.36Å; L59-E93 HydrophobicContact CD2-CG 4.19Å; L59-M94 HydrophobicContact CB-CE 4.35Å; L59-M94 HydrophobicContact CD2-CB 4.16Å; L59-M94 HydrophobicContact CD2-CE 3.39Å; L59-M94 HydrophobicContact CD2-SD 3.96Å; L59-M94 HydrophobicContact CG-CE 3.57Å
60	E	95.1	Very high	93.9	Very high	96 Å²	96	28.4 Å²	28.4	45%	0.449	15%	0.147	S	C	.	.	H	α-helix	trans	-64.6	-37.9	-178.5	-62	-55.2	153.8	0	0	112.7	H58 R63 V64	H58-E60 PolarHBondContact O-N 2.85Å; E60-R63 PolarHBondContact O-N 2.84Å; E60-R63 IonicContact OE1-CZ 3.78Å; E60-R63 IonicContact OE1-NH1 3.29Å; E60-R63 PolarHBondContact OE1-NH1 3.35Å; E60-R63 IonicContact OE2-CZ 3.64Å; E60-R63 IonicContact OE2-NH1 2.66Å; E60-R63 PolarHBondContact OE2-NH1 2.91Å; E60-V64 WeakPolarHBondContact O-CG2 3.4Å; E60-V64 PolarHBondContact O-N 3.04Å
61	L	96	Very high	93.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-67	-40.9	176.6	-61.9	-177.8	0	0	0	111.4	V20 Y25 L28 A53 H58 L59 R63 V64 L65	V20-L61 HydrophobicContact CB-CD1 4.18Å; V20-L61 HydrophobicContact CG1-CD1 4.03Å; V20-L61 HydrophobicContact CG2-CD1 4.31Å; V20-L61 WeakPolarHBondContact O-CD1 3.25Å; Y25-L61 VanDerWaalsContact CB-CD2 3.48Å; L28-L61 HydrophobicContact CB-CD2 4.28Å; L28-L61 HydrophobicContact CD2-CB 4.09Å; L28-L61 HydrophobicContact CD2-CD2 3.64Å; L28-L61 HydrophobicContact CD2-CG 4.37Å; A53-L61 HydrophobicContact CB-CB 4.02Å; H58-L61 HydrophobicContact CB-CB 4.08Å; H58-L61 HydrophobicContact CB-CD1 3.68Å; H58-L61 HydrophobicContact CB-CG 3.96Å; H58-L61 PolarHBondContact O-N 3.06Å; H58-L61 VanDerWaalsContact O-N 3.1Å; L59-L61 VanDerWaalsContact C-N 3.34Å; L59-L61 PolarHBondContact O-N 3.12Å; L61-R63 VanDerWaalsContact C-N 3.34Å; L61-R63 PolarHBondContact O-N 2.8Å; L61-V64 PolarHBondContact O-N 2.98Å; L61-L65 WeakPolarHBondContact O-CB 3.43Å; L61-L65 VanDerWaalsContact O-CG 3.3Å; L61-L65 WeakPolarHBondContact O-CG 3.24Å; L61-L65 PolarHBondContact O-N 2.71Å
62	V	96.5	Very high	93.2	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-58.8	-47.4	174.1	178.5	0	0	0	0	109.7	L50 A53 V54 H58 L59 V64 L65 L66 M94 L97 V98	L50-V62 HydrophobicContact CD1-CB 4.39Å; L50-V62 HydrophobicContact CD1-CG1 3.81Å; L50-V62 HydrophobicContact CD1-CG2 4.42Å; A53-V62 HydrophobicContact CB-CG2 3.72Å; V54-V62 HydrophobicContact CG2-CG1 4.27Å; V54-V62 HydrophobicContact CG2-CG2 3.72Å; H58-V62 WeakPolarHBondContact O-CG2 3.18Å; H58-V62 PolarHBondContact O-N 2.89Å; H58-V62 VanDerWaalsContact O-N 3.08Å; L59-V62 PolarHBondContact O-N 2.91Å; V62-V64 PolarHBondContact O-N 3.36Å; V62-L65 PolarHBondContact O-N 3.07Å; V62-L66 HydrophobicContact CG1-CD1 3.93Å; V62-L66 HydrophobicContact CG1-CG 4.2Å; V62-L66 WeakPolarHBondContact O-CB 3.48Å; V62-L66 VanDerWaalsContact O-CG 3.26Å; V62-L66 WeakPolarHBondContact O-CG 3.25Å; V62-L66 PolarHBondContact O-N 3.35Å; V62-M94 HydrophobicContact CB-SD 4.27Å; V62-M94 HydrophobicContact CG1-SD 4.18Å; V62-M94 HydrophobicContact CG2-CE 4.38Å; V62-M94 HydrophobicContact CG2-SD 3.79Å; V62-L97 HydrophobicContact CB-CD2 4.14Å; V62-L97 HydrophobicContact CG1-CD2 3.43Å; V62-L97 VanDerWaalsContact CG1-CD2 3.43Å; V62-V98 HydrophobicContact CG1-CG2 4.2Å
63	R	95.2	Very high	92.7	Very high	55 Å²	55	34.5 Å²	34.5	21%	0.208	19%	0.185	C	C	.	.	H	α-helix	trans	-57.7	-44.8	176.2	-69.6	-178.9	-166	143.7	3.1	112.6	L59 E60 L61 R67 E93 L97	L59-R63 WeakPolarHBondContact O-CG 3.24Å; L59-R63 PolarHBondContact O-N 3.21Å; E60-R63 PolarHBondContact O-N 2.84Å; E60-R63 IonicContact OE1-CZ 3.78Å; E60-R63 IonicContact OE1-NH1 3.29Å; E60-R63 PolarHBondContact OE1-NH1 3.35Å; E60-R63 IonicContact OE2-CZ 3.64Å; E60-R63 IonicContact OE2-NH1 2.66Å; E60-R63 PolarHBondContact OE2-NH1 2.91Å; L61-R63 VanDerWaalsContact C-N 3.34Å; L61-R63 PolarHBondContact O-N 2.8Å; R63-R67 WeakPolarHBondContact O-CB 3.42Å; R63-R67 WeakPolarHBondContact O-CG 3.4Å; R63-R67 PolarHBondContact O-N 2.57Å; R63-E93 IonicContact CZ-OE1 3.74Å; R63-E93 IonicContact NH2-OE1 3.2Å; R63-E93 PolarHBondContact NH2-OE1 2.85Å; R63-L97 HydrophobicContact CG-CD1 3.69Å; R63-L97 HydrophobicContact CG-CD2 3.86Å; R63-L97 HydrophobicContact CG-CG 4.44Å
64	V	95.1	Very high	92.2	Very high	10 Å²	10	37.9 Å²	37.9	6%	0.061	20%	0.2	C	C	.	.	H	α-helix	trans	-61.8	-48.7	177.6	171.1	0	0	0	0	110.8	E29 I32 E60 L61 V62 L66 R67 H68	E29-V64 HydrophobicContact CB-CG1 4.14Å; E29-V64 HydrophobicContact CG-CG1 4.45Å; I32-V64 HydrophobicContact CD1-CG1 4.1Å; E60-V64 WeakPolarHBondContact O-CG2 3.4Å; E60-V64 PolarHBondContact O-N 3.04Å; L61-V64 PolarHBondContact O-N 2.98Å; V62-V64 PolarHBondContact O-N 3.36Å; V64-L66 PolarHBondContact O-N 2.83Å; V64-R67 PolarHBondContact O-N 3.4Å; V64-H68 PolarHBondContact O-CD2 3.23Å; V64-H68 VanDerWaalsContact O-CD2 3.28Å; V64-H68 PolarHBondContact O-N 3.33Å; V64-H68 VanDerWaalsContact O-N 3.11Å
65	L	95.5	Very high	91.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-44.7	-179.8	-71.9	164.1	0	0	0	112	V20 L28 I32 I39 P49 L50 A53 L61 V62 R67 H68 G69 A70	V20-L65 HydrophobicContact CG2-CD1 4.37Å; L28-L65 HydrophobicContact CD1-CD2 4.41Å; L28-L65 HydrophobicContact CD2-CD1 4.16Å; L28-L65 HydrophobicContact CD2-CD2 4.17Å; L28-L65 HydrophobicContact CD2-CG 3.93Å; I32-L65 HydrophobicContact CD1-CD2 3.78Å; I39-L65 HydrophobicContact CD1-CD2 4.07Å; I39-L65 HydrophobicContact CG1-CD2 3.94Å; P49-L65 HydrophobicContact CB-CD1 4.18Å; P49-L65 HydrophobicContact CB-CD2 4Å; L50-L65 HydrophobicContact CB-CD1 4.27Å; L50-L65 HydrophobicContact CD1-CB 4.09Å; L50-L65 HydrophobicContact CD1-CD1 4.36Å; A53-L65 HydrophobicContact CB-CD1 3.98Å; L61-L65 WeakPolarHBondContact O-CB 3.43Å; L61-L65 VanDerWaalsContact O-CG 3.3Å; L61-L65 WeakPolarHBondContact O-CG 3.24Å; L61-L65 PolarHBondContact O-N 2.71Å; V62-L65 PolarHBondContact O-N 3.07Å; L65-R67 PolarHBondContact O-N 2.9Å; L65-H68 CarbonylContact O-C 3.55Å; L65-H68 PolarHBondContact O-N 2.82Å; L65-G69 PolarHBondContact O-N 3.37Å; L65-A70 HydrophobicContact CB-CB 3.97Å; L65-A70 VanDerWaalsContact O-CB 3.24Å; L65-A70 WeakPolarHBondContact O-CB 3.49Å; L65-A70 PolarHBondContact O-N 3.27Å
66	L	93.8	Very high	91.8	Very high	9 Å²	9	42.4 Å²	42.4	5%	0.047	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-37.9	178.3	-66.5	-176.8	0	0	0	112.6	L50 V62 V64 H68 G69 V72 L97 R101	L50-L66 HydrophobicContact CD1-CD2 3.94Å; L50-L66 HydrophobicContact CD1-CG 4.24Å; L50-L66 HydrophobicContact CD2-CD2 3.64Å; L50-L66 HydrophobicContact CG-CD2 4.47Å; V62-L66 HydrophobicContact CG1-CD1 3.93Å; V62-L66 HydrophobicContact CG1-CG 4.2Å; V62-L66 WeakPolarHBondContact O-CB 3.48Å; V62-L66 VanDerWaalsContact O-CG 3.26Å; V62-L66 WeakPolarHBondContact O-CG 3.25Å; V62-L66 PolarHBondContact O-N 3.35Å; V64-L66 PolarHBondContact O-N 2.83Å; L66-H68 VanDerWaalsContact C-N 3.28Å; L66-H68 PolarHBondContact O-N 2.86Å; L66-G69 PolarHBondContact O-N 2.71Å; L66-G69 VanDerWaalsContact O-N 3.16Å; L66-V72 HydrophobicContact CD2-CG1 3.37Å; L66-L97 HydrophobicContact CD1-CD2 3.6Å; L66-L97 HydrophobicContact CD1-CG 3.97Å; L66-R101 HydrophobicContact CB-CG 4.25Å; L66-R101 HydrophobicContact CD1-CB 4.04Å; L66-R101 HydrophobicContact CD1-CG 4.24Å; L66-R101 HydrophobicContact CD2-CB 4.49Å; L66-R101 HydrophobicContact CD2-CG 4.02Å; L66-R101 HydrophobicContact CG-CG 4.39Å; L66-R101 PolarHBondContact O-NE 2.96Å; L66-R101 PolarHBondContact O-NH2 2.9Å
67	R	91.8	Very high	91.7	Very high	184 Å²	184	45.2 Å²	45.2	69%	0.694	25%	0.246	S	C	*	.	H	α-helix	trans	-62.2	-36.3	174.3	-76.5	172.8	-171.6	163.2	4.8	112.1	R63 V64 L65 G69	R63-R67 WeakPolarHBondContact O-CB 3.42Å; R63-R67 WeakPolarHBondContact O-CG 3.4Å; R63-R67 PolarHBondContact O-N 2.57Å; V64-R67 PolarHBondContact O-N 3.4Å; L65-R67 PolarHBondContact O-N 2.9Å; R67-G69 VanDerWaalsContact C-N 3.25Å; R67-G69 PolarHBondContact O-N 3.06Å
68	H	91.4	Very high	91.4	Very high	77 Å²	77	48.1 Å²	48.1	36%	0.356	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	7.8	177	-77	-74.4	0	0	0	114.4	I32 I39 V64 L65 L66	I32-H68 HydrophobicContact CG2-CB 3.75Å; I39-H68 HydrophobicContact CD1-CB 3.75Å; V64-H68 PolarHBondContact O-CD2 3.23Å; V64-H68 VanDerWaalsContact O-CD2 3.28Å; V64-H68 PolarHBondContact O-N 3.33Å; V64-H68 VanDerWaalsContact O-N 3.11Å; L65-H68 CarbonylContact O-C 3.55Å; L65-H68 PolarHBondContact O-N 2.82Å; L66-H68 VanDerWaalsContact C-N 3.28Å; L66-H68 PolarHBondContact O-N 2.86Å
69	G	89	Confident	91.1	Very high	48 Å²	48	49.5 Å²	49.5	50%	0.495	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	88	20.4	171.2	0	0	0	0	0	115	L65 L66 R67 S71	L65-G69 PolarHBondContact O-N 3.37Å; L66-G69 PolarHBondContact O-N 2.71Å; L66-G69 VanDerWaalsContact O-N 3.16Å; R67-G69 VanDerWaalsContact C-N 3.25Å; R67-G69 PolarHBondContact O-N 3.06Å; G69-S71 PolarHBondContact O-N 2.83Å
70	A	93	Very high	90.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.248	C	C	.	.			trans	-57.8	137.2	172.3	0	0	0	0	0	111.5	I39 E40 L50 L65 V72	I39-A70 HydrophobicContact CD1-CB 3.85Å; I39-A70 HydrophobicContact CG1-CB 4.08Å; E40-A70 VanDerWaalsContact OE1-CA 3.27Å; E40-A70 WeakPolarHBondContact OE1-CA 3.47Å; L50-A70 HydrophobicContact CB-CB 4.22Å; L50-A70 HydrophobicContact CD2-CB 3.86Å; L65-A70 HydrophobicContact CB-CB 3.97Å; L65-A70 VanDerWaalsContact O-CB 3.24Å; L65-A70 WeakPolarHBondContact O-CB 3.49Å; L65-A70 PolarHBondContact O-N 3.27Å; A70-V72 PolarHBondContact O-N 2.8Å
71	S	90.1	Very high	90.6	Very high	33 Å²	33	45 Å²	45	23%	0.231	24%	0.236	C	C	.	.			trans	-77.7	120.6	-176.8	-177.6	0	0	0	0	111.7	E40 G69 T73 K74	E40-S71 PolarHBondContact OE1-N 3.04Å; G69-S71 PolarHBondContact O-N 2.83Å; S71-T73 PolarHBondContact OG-N 3.4Å; S71-T73 PolarHBondContact OG-OG1 2.86Å; S71-K74 PolarHBondContact OG-N 3.13Å
72	V	89.3	Confident	90.5	Very high	3 Å²	3	45 Å²	45	2%	0.018	24%	0.236	C	C	.	.	S	Bend	trans	-81.9	-15.1	174.5	-62.9	0	0	0	0	113.4	L50 L66 A70 V98 R101 R102 L105	L50-V72 HydrophobicContact CD2-CG1 4.17Å; L66-V72 HydrophobicContact CD2-CG1 3.37Å; A70-V72 PolarHBondContact O-N 2.8Å; V72-V98 HydrophobicContact CB-CG1 4.43Å; V72-V98 HydrophobicContact CG1-CG1 4.28Å; V72-R101 HydrophobicContact CG1-CB 4.35Å; V72-R101 HydrophobicContact CG1-CG 4.21Å; V72-R102 VanDerWaalsContact CG2-CA 3.5Å; V72-R102 HydrophobicContact CG2-CB 3.69Å; V72-R102 HydrophobicContact CG2-CG 4.1Å; V72-L105 HydrophobicContact CG2-CD1 3.97Å
73	T	83.3	Confident	90.3	Very high	93 Å²	93	45.7 Å²	45.7	57%	0.571	24%	0.239	S	C	*	.	S	Bend	trans	-94.2	-10.5	-178.1	57	0	0	0	0	113	S71 E75	S71-T73 PolarHBondContact OG-N 3.4Å; S71-T73 PolarHBondContact OG-OG1 2.86Å; T73-E75 PolarHBondContact O-N 2.8Å
74	K	85.1	Confident	90.2	Very high	72 Å²	72	44.5 Å²	44.5	31%	0.313	24%	0.236	S	C	.	.			trans	-64.6	137	178.1	-167.3	161	178.7	-179	0	109.8	E40 T48 H51 S71	E40-K74 PolarHBondContact O-NZ 2.93Å; E40-K74 WeakPolarHBondContact OE2-CD 3.15Å; E40-K74 IonicContact OE2-NZ 2.68Å; T48-K74 HydrophobicContact CG2-CD 3.75Å; T48-K74 HydrophobicContact CG2-CG 4.3Å; H51-K74 PolarHBondContact CE1-O 2.85Å; H51-K74 PolarHBondContact NE2-O 2.77Å; S71-K74 PolarHBondContact OG-N 3.13Å
75	E	88.4	Confident	90	Very high	93 Å²	93	44.2 Å²	44.2	44%	0.435	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-90.7	145.9	174.3	-65.9	-178.1	178.5	0	0	110.8	T73 H79 W80 T81	T73-E75 PolarHBondContact O-N 2.8Å; E75-H79 IonicContact OE2-CG 3.47Å; E75-H79 IonicContact OE2-ND1 3.8Å; E75-H79 PolarHBondContact OE2-ND1 2.72Å; E75-H79 VanDerWaalsContact OE2-ND1 3.07Å; E75-W80 WeakPolarHBondContact CA-O 3.11Å; E75-T81 HydrophobicContact CG-CG2 4.14Å
76	N	90.3	Very high	89.9	Confident	9 Å²	9	44.2 Å²	44.2	5%	0.048	23%	0.234	C	C	.	.			trans	-77.6	176.4	167.1	67.4	21.3	0	0	0	111.9	G46 R47 K78 H79 W80 E85	G46-N76 VanDerWaalsContact O-CA 3.32Å; G46-N76 WeakPolarHBondContact O-CA 3.43Å; R47-N76 HydrophobicContact CG-CB 4.45Å; N76-K78 PolarHBondContact O-N 2.98Å; N76-K78 WeakPolarHBondContact OD1-CA 3.45Å; N76-K78 WeakPolarHBondContact OD1-CB 3.4Å; N76-K78 PolarHBondContact OD1-N 2.88Å; N76-H79 PolarHBondContact O-N 2.82Å; N76-H79 PolarHBondContact OD1-N 3.36Å; N76-W80 PolarHBondContact N-O 3.3Å; N76-W80 PolarHBondContact OD1-N 2.53Å; N76-W80 PolarHBondContact OD1-O 2.75Å; N76-E85 PolarHBondContact ND2-OE1 2.64Å
77	A	87.5	Confident	89.8	Confident	70 Å²	70	44.1 Å²	44.1	58%	0.579	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-17.6	177.7	0	0	0	0	0	114.7	G46	G46-A77 PolarHBondContact O-N 3.14Å
78	K	85.6	Confident	89.7	Confident	93 Å²	93	35.8 Å²	35.8	40%	0.404	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	9.6	176.3	-63.6	178.2	-179.1	178.4	0	112.6	N76 W80 R284 D351	N76-K78 PolarHBondContact O-N 2.98Å; N76-K78 WeakPolarHBondContact OD1-CA 3.45Å; N76-K78 WeakPolarHBondContact OD1-CB 3.4Å; N76-K78 PolarHBondContact OD1-N 2.88Å; K78-W80 VanDerWaalsContact C-N 3.3Å; K78-W80 PolarHBondContact O-N 2.86Å; K78-R284 PolarHBondContact O-NH1 3.21Å; K78-D351 IonicContact NZ-OD2 3.86Å; K78-D351 PolarHBondContact NZ-OD2 2.84Å
79	H	86.3	Confident	89.6	Confident	60 Å²	60	33.2 Å²	33.2	28%	0.278	19%	0.193	S	C	.	.	S	Bend	trans	61.8	31.3	-177.3	-58.3	-69.3	0	0	0	114	E75 N76 N238	E75-H79 IonicContact OE2-CG 3.47Å; E75-H79 IonicContact OE2-ND1 3.8Å; E75-H79 PolarHBondContact OE2-ND1 2.72Å; E75-H79 VanDerWaalsContact OE2-ND1 3.07Å; N76-H79 PolarHBondContact O-N 2.82Å; N76-H79 PolarHBondContact OD1-N 3.36Å; H79-N238 PolarHBondContact O-ND2 3.5Å
80	W	89.5	Confident	89.5	Confident	4 Å²	4	32.2 Å²	32.2	2%	0.015	18%	0.183	C	C	.	.			trans	-104.7	135.9	172.2	-61.8	110.3	0	0	0	110	H51 E75 N76 K78 Q84 E85 I236 N238 R284 R286 L358	H51-W80 PolarHBondContact NE2-O 3.24Å; E75-W80 WeakPolarHBondContact CA-O 3.11Å; N76-W80 PolarHBondContact N-O 3.3Å; N76-W80 PolarHBondContact OD1-N 2.53Å; N76-W80 PolarHBondContact OD1-O 2.75Å; K78-W80 VanDerWaalsContact C-N 3.3Å; K78-W80 PolarHBondContact O-N 2.86Å; W80-Q84 HydrophobicContact CE3-CB 3.96Å; W80-Q84 HydrophobicContact CE3-CG 4.24Å; W80-E85 HydrophobicContact CB-CG 4.31Å; W80-E85 WeakPolarHBondContact CB-OE1 3.29Å; W80-I236 HydrophobicContact CE3-CG2 4.3Å; W80-I236 HydrophobicContact CZ3-CG2 3.79Å; W80-N238 HydrophobicContact CE3-CB 3.96Å; W80-N238 HydrophobicContact CH2-CB 3.83Å; W80-N238 HydrophobicContact CZ3-CB 3.36Å; W80-R284 HydrophobicContact CH2-CB 3.66Å; W80-R284 HydrophobicContact CZ2-CB 3.71Å; W80-R286 HydrophobicContact CH2-CB 4.45Å; W80-R286 HydrophobicContact CH2-CG 3.84Å; W80-R286 HydrophobicContact CZ2-CG 3.66Å; W80-L358 HydrophobicContact CZ2-CD1 3.89Å
81	T	91	Very high	89.4	Confident	32 Å²	32	34.4 Å²	34.4	20%	0.196	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-77.7	160.4	173.3	61.9	0	0	0	0	111.2	E75 L83 Q84 E85	E75-T81 HydrophobicContact CG-CG2 4.14Å; T81-L83 PolarHBondContact O-N 3.33Å; T81-Q84 PolarHBondContact O-N 3.06Å; T81-Q84 VanDerWaalsContact O-N 3.09Å; T81-Q84 VanDerWaalsContact OG1-CG 3.31Å; T81-Q84 WeakPolarHBondContact OG1-CG 3.31Å; T81-Q84 PolarHBondContact OG1-N 3.07Å; T81-Q84 PolarHBondContact OG1-OE1 2.82Å; T81-E85 PolarHBondContact O-N 2.82Å
82	V	93.7	Very high	89.6	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-55.6	-38.9	175.6	-179.2	0	0	0	0	111.8	L50 V54 E85 A86 V98	L50-V82 HydrophobicContact CD1-CG1 4.44Å; L50-V82 HydrophobicContact CD2-CB 4.46Å; L50-V82 HydrophobicContact CD2-CG1 3.9Å; L50-V82 HydrophobicContact CD2-CG2 3.96Å; L50-V82 HydrophobicContact CG-CG1 3.77Å; L50-V82 HydrophobicContact CG-CG2 4.16Å; V54-V82 HydrophobicContact CG2-CG1 3.84Å; V82-E85 PolarHBondContact O-N 2.93Å; V82-A86 WeakPolarHBondContact O-CB 3.38Å; V82-A86 PolarHBondContact O-N 2.78Å; V82-V98 HydrophobicContact CB-CG1 4.48Å; V82-V98 HydrophobicContact CG1-CG1 3.97Å; V82-V98 HydrophobicContact CG1-CG2 4.35Å
83	L	92.4	Very high	89.9	Confident	15 Å²	15	40.1 Å²	40.1	8%	0.079	22%	0.224	C	C	.	.	H	α-helix	trans	-66.3	-41.2	178	179.1	64.9	0	0	0	112.3	T81 E85 A86 V87 V95 V98 L99	T81-L83 PolarHBondContact O-N 3.33Å; L83-E85 VanDerWaalsContact C-N 3.32Å; L83-A86 WeakPolarHBondContact O-CB 3.4Å; L83-A86 PolarHBondContact O-N 2.82Å; L83-A86 VanDerWaalsContact O-N 3.16Å; L83-V87 WeakPolarHBondContact O-CG2 3.39Å; L83-V87 PolarHBondContact O-N 3.26Å; L83-V95 HydrophobicContact CD1-CG1 4.35Å; L83-V98 HydrophobicContact CB-CG1 4Å; L83-V98 HydrophobicContact CD1-CB 4.36Å; L83-V98 HydrophobicContact CD1-CG1 4.07Å; L83-L99 HydrophobicContact CD1-CB 4.12Å; L83-L99 HydrophobicContact CD1-CD1 4.49Å; L83-L99 HydrophobicContact CD2-CD1 4.03Å
84	Q	91.4	Very high	90.4	Very high	30 Å²	30	35.7 Å²	35.7	14%	0.14	20%	0.197	C	C	.	.	H	α-helix	trans	-64.3	-40.3	177.4	-72.4	165.3	-36	0	0	110.9	W80 T81 A86 V87 S88 I236	W80-Q84 HydrophobicContact CE3-CB 3.96Å; W80-Q84 HydrophobicContact CE3-CG 4.24Å; T81-Q84 PolarHBondContact O-N 3.06Å; T81-Q84 VanDerWaalsContact O-N 3.09Å; T81-Q84 VanDerWaalsContact OG1-CG 3.31Å; T81-Q84 WeakPolarHBondContact OG1-CG 3.31Å; T81-Q84 PolarHBondContact OG1-N 3.07Å; T81-Q84 PolarHBondContact OG1-OE1 2.82Å; Q84-A86 VanDerWaalsContact C-N 3.34Å; Q84-V87 PolarHBondContact O-N 2.66Å; Q84-S88 PolarHBondContact O-N 3.17Å; Q84-S88 VanDerWaalsContact O-N 3.16Å; Q84-I236 HydrophobicContact CB-CG2 3.85Å; Q84-I236 HydrophobicContact CG-CG2 3.76Å; Q84-I236 WeakPolarHBondContact O-CD1 3.22Å
85	E	91.8	Very high	90.8	Very high	4 Å²	4	32.3 Å²	32.3	2%	0.019	18%	0.182	C	C	.	.	H	α-helix	trans	-64	-38.9	171.5	-63.5	-62.5	171.3	0	0	111.7	V54 N76 W80 T81 V82 L83 V87 S88 T89 R286	V54-E85 HydrophobicContact CG1-CB 4.08Å; N76-E85 PolarHBondContact ND2-OE1 2.64Å; W80-E85 HydrophobicContact CB-CG 4.31Å; W80-E85 WeakPolarHBondContact CB-OE1 3.29Å; T81-E85 PolarHBondContact O-N 2.82Å; V82-E85 PolarHBondContact O-N 2.93Å; L83-E85 VanDerWaalsContact C-N 3.32Å; E85-V87 PolarHBondContact O-N 3.4Å; E85-S88 WeakPolarHBondContact O-CB 3.34Å; E85-S88 PolarHBondContact O-N 2.65Å; E85-S88 VanDerWaalsContact O-N 3.15Å; E85-S88 PolarHBondContact O-OG 3.44Å; E85-T89 WeakPolarHBondContact O-CG2 3.36Å; E85-T89 PolarHBondContact O-N 2.92Å; E85-R286 IonicContact OE1-NH1 3.49Å; E85-R286 PolarHBondContact OE1-NH1 2.9Å; E85-R286 IonicContact OE2-CZ 3.94Å; E85-R286 IonicContact OE2-NH1 2.86Å; E85-R286 PolarHBondContact OE2-NH1 3.31Å; E85-R286 IonicContact OE2-NH2 2.74Å; E85-R286 PolarHBondContact OE2-NH2 2.67Å; E85-R286 VanDerWaalsContact OE2-NH2 3.16Å
86	A	93.2	Very high	91.1	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-61.6	-43.3	176.4	0	0	0	0	0	112	V54 V82 L83 Q84 S88 T89 M94 V95 V98	V54-A86 VanDerWaalsContact CG1-CA 3.45Å; V54-A86 HydrophobicContact CG1-CB 3.83Å; V82-A86 WeakPolarHBondContact O-CB 3.38Å; V82-A86 PolarHBondContact O-N 2.78Å; L83-A86 WeakPolarHBondContact O-CB 3.4Å; L83-A86 PolarHBondContact O-N 2.82Å; L83-A86 VanDerWaalsContact O-N 3.16Å; Q84-A86 VanDerWaalsContact C-N 3.34Å; A86-S88 VanDerWaalsContact C-N 3.26Å; A86-S88 PolarHBondContact O-N 3.23Å; A86-T89 WeakPolarHBondContact O-CB 3.35Å; A86-T89 PolarHBondContact O-N 2.93Å; A86-T89 VanDerWaalsContact O-N 3.13Å; A86-T89 PolarHBondContact O-OG1 2.87Å; A86-M94 HydrophobicContact CB-CG 3.94Å; A86-V95 HydrophobicContact CB-CG2 4.35Å; A86-V98 HydrophobicContact CB-CB 4.34Å; A86-V98 HydrophobicContact CB-CG2 4.17Å
87	V	92.3	Very high	91.2	Very high	7 Å²	7	32.4 Å²	32.4	4%	0.042	18%	0.183	C	C	.	.	H	α-helix	trans	-61.6	-37.9	175.5	177.8	0	0	0	0	110.8	L83 Q84 E85 T89 G90 V95 R231 I236	L83-V87 WeakPolarHBondContact O-CG2 3.39Å; L83-V87 PolarHBondContact O-N 3.26Å; Q84-V87 PolarHBondContact O-N 2.66Å; E85-V87 PolarHBondContact O-N 3.4Å; V87-T89 PolarHBondContact O-N 3.09Å; V87-G90 PolarHBondContact O-N 3.35Å; V87-V95 HydrophobicContact CB-CG2 4.42Å; V87-V95 HydrophobicContact CG2-CG1 4.23Å; V87-V95 HydrophobicContact CG2-CG2 3.97Å; V87-R231 VanDerWaalsContact CG1-O 3.32Å; V87-R231 WeakPolarHBondContact CG1-O 3.24Å; V87-R231 HydrophobicContact CG2-CB 4.21Å; V87-I236 HydrophobicContact CB-CD1 3.9Å; V87-I236 HydrophobicContact CB-CG1 3.99Å; V87-I236 HydrophobicContact CG1-CD1 3.77Å; V87-I236 HydrophobicContact CG1-CG1 3.59Å
88	S	89.6	Confident	91.5	Very high	8 Å²	8	29.1 Å²	29.1	6%	0.056	16%	0.156	C	C	.	.	H	α-helix	trans	-64.1	-21.3	178.4	79.9	0	0	0	0	113.8	Q84 E85 A86 G90 R286 E288 R354	Q84-S88 PolarHBondContact O-N 3.17Å; Q84-S88 VanDerWaalsContact O-N 3.16Å; E85-S88 WeakPolarHBondContact O-CB 3.34Å; E85-S88 PolarHBondContact O-N 2.65Å; E85-S88 VanDerWaalsContact O-N 3.15Å; E85-S88 PolarHBondContact O-OG 3.44Å; A86-S88 VanDerWaalsContact C-N 3.26Å; A86-S88 PolarHBondContact O-N 3.23Å; S88-G90 PolarHBondContact O-N 3.5Å; S88-R286 VanDerWaalsContact CB-NH2 3.27Å; S88-R286 PolarHBondContact OG-NH2 2.72Å; S88-E288 WeakPolarHBondContact CB-OE1 3.45Å; S88-R354 WeakPolarHBondContact O-CD 3.39Å
89	T	88.4	Confident	91.8	Very high	23 Å²	23	24.7 Å²	24.7	14%	0.141	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-23.9	175.1	71.4	0	0	0	0	112.5	V54 E85 A86 V87 D91 R354	V54-T89 HydrophobicContact CG1-CG2 4.18Å; V54-T89 WeakPolarHBondContact O-CG2 3.48Å; E85-T89 WeakPolarHBondContact O-CG2 3.36Å; E85-T89 PolarHBondContact O-N 2.92Å; A86-T89 WeakPolarHBondContact O-CB 3.35Å; A86-T89 PolarHBondContact O-N 2.93Å; A86-T89 VanDerWaalsContact O-N 3.13Å; A86-T89 PolarHBondContact O-OG1 2.87Å; V87-T89 PolarHBondContact O-N 3.09Å; T89-D91 PolarHBondContact O-N 2.87Å; T89-D91 PolarHBondContact OG1-N 2.85Å; T89-R354 VanDerWaalsContact O-CZ 3.22Å; T89-R354 PolarHBondContact O-NE 3.36Å; T89-R354 PolarHBondContact O-NH2 3.08Å
90	G	88.2	Confident	92	Very high	27 Å²	27	23.3 Å²	23.3	28%	0.278	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	8.5	-172.3	0	0	0	0	0	114.4	V87 S88	V87-G90 PolarHBondContact O-N 3.35Å; S88-G90 PolarHBondContact O-N 3.5Å
91	D	90.9	Very high	92.1	Very high	46 Å²	46	25.1 Å²	25.1	25%	0.246	14%	0.137	C	C	.	.			trans	-92.2	114.3	-179	179.1	1	0	0	0	111.1	T89 E93 M94 V95	T89-D91 PolarHBondContact O-N 2.87Å; T89-D91 PolarHBondContact OG1-N 2.85Å; D91-E93 VanDerWaalsContact C-N 3.31Å; D91-E93 PolarHBondContact O-N 3.3Å; D91-E93 PolarHBondContact OD1-N 2.96Å; D91-M94 HydrophobicContact CB-CB 3.8Å; D91-M94 WeakPolarHBondContact O-CB 3.42Å; D91-M94 PolarHBondContact O-N 3.22Å; D91-V95 WeakPolarHBondContact O-CG2 3.39Å; D91-V95 PolarHBondContact O-N 3.37Å; D91-V95 VanDerWaalsContact O-N 3.11Å
92	P	93.4	Very high	91.9	Very high	70 Å²	70	25.7 Å²	25.7	46%	0.455	14%	0.135	S	C	.	.	H	α-helix	trans	-63.2	-33.9	179.5	26.3	-34.1	0	0	0	113.3	V95 Q96 V228 L232	P92-V95 PolarHBondContact O-N 2.88Å; P92-Q96 VanDerWaalsContact O-CB 3.28Å; P92-Q96 WeakPolarHBondContact O-CB 3.45Å; P92-Q96 PolarHBondContact O-N 2.8Å; P92-V228 HydrophobicContact CB-CG1 4.18Å; P92-L232 HydrophobicContact CB-CD1 3.81Å
93	E	94.8	Very high	91.6	Very high	87 Å²	87	26.6 Å²	26.6	41%	0.407	14%	0.14	S	C	.	.	H	α-helix	trans	-69.5	-41.2	-179.4	-169.4	179.5	172.5	0	0	110.6	L59 R63 D91 Q96 L97	L59-E93 HydrophobicContact CD1-CB 4.49Å; L59-E93 HydrophobicContact CD1-CG 4.44Å; L59-E93 HydrophobicContact CD2-CB 4.36Å; L59-E93 HydrophobicContact CD2-CG 4.19Å; R63-E93 IonicContact CZ-OE1 3.74Å; R63-E93 IonicContact NH2-OE1 3.2Å; R63-E93 PolarHBondContact NH2-OE1 2.85Å; D91-E93 VanDerWaalsContact C-N 3.31Å; D91-E93 PolarHBondContact O-N 3.3Å; D91-E93 PolarHBondContact OD1-N 2.96Å; E93-Q96 PolarHBondContact O-N 3.38Å; E93-L97 WeakPolarHBondContact O-CB 3.22Å; E93-L97 PolarHBondContact O-N 2.87Å
94	M	94.5	Very high	91.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.8	-49	173.8	-168.9	66.4	61.4	0	0	111.5	V54 L59 V62 A86 D91 L97 V98	V54-M94 HydrophobicContact CG1-CG 4.37Å; V54-M94 HydrophobicContact CG2-SD 4.07Å; L59-M94 HydrophobicContact CB-CE 4.35Å; L59-M94 HydrophobicContact CD2-CB 4.16Å; L59-M94 HydrophobicContact CD2-CE 3.39Å; L59-M94 HydrophobicContact CD2-SD 3.96Å; L59-M94 HydrophobicContact CG-CE 3.57Å; V62-M94 HydrophobicContact CB-SD 4.27Å; V62-M94 HydrophobicContact CG1-SD 4.18Å; V62-M94 HydrophobicContact CG2-CE 4.38Å; V62-M94 HydrophobicContact CG2-SD 3.79Å; A86-M94 HydrophobicContact CB-CG 3.94Å; D91-M94 HydrophobicContact CB-CB 3.8Å; D91-M94 WeakPolarHBondContact O-CB 3.42Å; D91-M94 PolarHBondContact O-N 3.22Å; M94-L97 PolarHBondContact O-N 2.81Å; M94-V98 WeakPolarHBondContact O-CG2 3.24Å; M94-V98 PolarHBondContact O-N 3.38Å; M94-V98 VanDerWaalsContact O-N 3.09Å
95	V	94.1	Very high	90.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.1	-47.5	-179.8	174.4	0	0	0	0	110.3	L83 A86 V87 D91 P92 L97 V98 L99 V228 L232	L83-V95 HydrophobicContact CD1-CG1 4.35Å; A86-V95 HydrophobicContact CB-CG2 4.35Å; V87-V95 HydrophobicContact CB-CG2 4.42Å; V87-V95 HydrophobicContact CG2-CG1 4.23Å; V87-V95 HydrophobicContact CG2-CG2 3.97Å; D91-V95 WeakPolarHBondContact O-CG2 3.39Å; D91-V95 PolarHBondContact O-N 3.37Å; D91-V95 VanDerWaalsContact O-N 3.11Å; P92-V95 PolarHBondContact O-N 2.88Å; V95-L97 VanDerWaalsContact C-N 3.34Å; V95-L97 PolarHBondContact O-N 2.92Å; V95-V98 PolarHBondContact O-N 2.9Å; V95-L99 WeakPolarHBondContact O-CB 3.45Å; V95-L99 PolarHBondContact O-N 3.38Å; V95-V228 HydrophobicContact CB-CG1 4.12Å; V95-V228 HydrophobicContact CG1-CG1 3.94Å; V95-L232 HydrophobicContact CG2-CD2 4Å
96	Q	94.1	Very high	90.4	Very high	71 Å²	71	33 Å²	33	33%	0.332	17%	0.168	S	C	.	.	H	α-helix	trans	-57	-47	178.9	-178.3	175.6	13.5	0	0	111.7	P92 E93 L99 Q100 P223 V228	P92-Q96 VanDerWaalsContact O-CB 3.28Å; P92-Q96 WeakPolarHBondContact O-CB 3.45Å; P92-Q96 PolarHBondContact O-N 2.8Å; E93-Q96 PolarHBondContact O-N 3.38Å; Q96-L99 PolarHBondContact O-N 3.46Å; Q96-Q100 VanDerWaalsContact O-CB 3.25Å; Q96-Q100 WeakPolarHBondContact O-CB 3.37Å; Q96-Q100 PolarHBondContact O-N 2.85Å; Q96-P223 HydrophobicContact CG-CG 3.87Å; Q96-V228 HydrophobicContact CB-CG2 4.31Å
97	L	93.4	Very high	89.8	Confident	34 Å²	34	34.2 Å²	34.2	18%	0.178	18%	0.178	C	C	.	.	H	α-helix	trans	-62.5	-48.8	-179	-172	98	0	0	0	112.3	V62 R63 L66 E93 M94 V95 R101	V62-L97 HydrophobicContact CB-CD2 4.14Å; V62-L97 HydrophobicContact CG1-CD2 3.43Å; V62-L97 VanDerWaalsContact CG1-CD2 3.43Å; R63-L97 HydrophobicContact CG-CD1 3.69Å; R63-L97 HydrophobicContact CG-CD2 3.86Å; R63-L97 HydrophobicContact CG-CG 4.44Å; L66-L97 HydrophobicContact CD1-CD2 3.6Å; L66-L97 HydrophobicContact CD1-CG 3.97Å; E93-L97 WeakPolarHBondContact O-CB 3.22Å; E93-L97 PolarHBondContact O-N 2.87Å; M94-L97 PolarHBondContact O-N 2.81Å; V95-L97 VanDerWaalsContact C-N 3.34Å; V95-L97 PolarHBondContact O-N 2.92Å; L97-R101 PolarHBondContact O-N 2.96Å
98	V	93.6	Very high	89.2	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-68.6	-40.2	-179.2	175.5	0	0	0	0	110.8	V54 V62 V72 V82 L83 A86 M94 V95 R101 R102	V54-V98 HydrophobicContact CG2-CG2 4.4Å; V62-V98 HydrophobicContact CG1-CG2 4.2Å; V72-V98 HydrophobicContact CB-CG1 4.43Å; V72-V98 HydrophobicContact CG1-CG1 4.28Å; V82-V98 HydrophobicContact CB-CG1 4.48Å; V82-V98 HydrophobicContact CG1-CG1 3.97Å; V82-V98 HydrophobicContact CG1-CG2 4.35Å; L83-V98 HydrophobicContact CB-CG1 4Å; L83-V98 HydrophobicContact CD1-CB 4.36Å; L83-V98 HydrophobicContact CD1-CG1 4.07Å; A86-V98 HydrophobicContact CB-CB 4.34Å; A86-V98 HydrophobicContact CB-CG2 4.17Å; M94-V98 WeakPolarHBondContact O-CG2 3.24Å; M94-V98 PolarHBondContact O-N 3.38Å; M94-V98 VanDerWaalsContact O-N 3.09Å; V95-V98 PolarHBondContact O-N 2.9Å; V98-R101 PolarHBondContact O-N 3.26Å; V98-R102 WeakPolarHBondContact O-CB 3.48Å; V98-R102 PolarHBondContact O-N 2.84Å
99	L	91	Very high	88.6	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63	-49.7	178.8	-178.2	58.1	0	0	0	111.6	L83 V95 Q96 R101 R102 D103 P223 E227 V228	L83-L99 HydrophobicContact CD1-CB 4.12Å; L83-L99 HydrophobicContact CD1-CD1 4.49Å; L83-L99 HydrophobicContact CD2-CD1 4.03Å; V95-L99 WeakPolarHBondContact O-CB 3.45Å; V95-L99 PolarHBondContact O-N 3.38Å; Q96-L99 PolarHBondContact O-N 3.46Å; L99-R101 VanDerWaalsContact C-N 3.3Å; L99-R101 PolarHBondContact O-N 2.85Å; L99-R102 WeakPolarHBondContact O-CB 3.49Å; L99-R102 PolarHBondContact O-N 2.83Å; L99-R102 VanDerWaalsContact O-N 3.17Å; L99-D103 PolarHBondContact O-N 3.26Å; L99-P223 HydrophobicContact CB-CG 4.29Å; L99-P223 HydrophobicContact CD2-CB 3.46Å; L99-P223 VanDerWaalsContact CD2-CB 3.46Å; L99-P223 HydrophobicContact CD2-CG 3.86Å; L99-P223 HydrophobicContact CG-CB 3.86Å; L99-P223 HydrophobicContact CG-CG 4.04Å; L99-E227 HydrophobicContact CD2-CG 4.43Å; L99-V228 HydrophobicContact CD2-CG2 4.16Å
100	Q	91.2	Very high	88	Confident	31 Å²	31	39.5 Å²	39.5	15%	0.145	21%	0.213	C	C	.	.	H	α-helix	trans	-55.1	-46.1	175.7	179.7	179.6	31.3	0	0	111.5	Q96 D103 Y104 L218 M221	Q96-Q100 VanDerWaalsContact O-CB 3.25Å; Q96-Q100 WeakPolarHBondContact O-CB 3.37Å; Q96-Q100 PolarHBondContact O-N 2.85Å; Q100-D103 PolarHBondContact O-N 3.08Å; Q100-Y104 WeakPolarHBondContact O-CB 3.17Å; Q100-Y104 PolarHBondContact O-N 2.8Å; Q100-L218 HydrophobicContact CG-CD1 3.9Å; Q100-L218 HydrophobicContact CG-CG 4.34Å; Q100-L218 PolarHBondContact NE2-O 2.69Å; Q100-M221 WeakPolarHBondContact CG-O 3.49Å
101	R	90.3	Very high	87.4	Confident	43 Å²	43	39.4 Å²	39.4	16%	0.162	21%	0.206	C	C	.	.	H	α-helix	trans	-68.5	-37.6	-179.7	-170.3	58	164	179.2	-3	112.2	L66 V72 L97 V98 L99 L105	L66-R101 HydrophobicContact CB-CG 4.25Å; L66-R101 HydrophobicContact CD1-CB 4.04Å; L66-R101 HydrophobicContact CD1-CG 4.24Å; L66-R101 HydrophobicContact CD2-CB 4.49Å; L66-R101 HydrophobicContact CD2-CG 4.02Å; L66-R101 HydrophobicContact CG-CG 4.39Å; L66-R101 PolarHBondContact O-NE 2.96Å; L66-R101 PolarHBondContact O-NH2 2.9Å; V72-R101 HydrophobicContact CG1-CB 4.35Å; V72-R101 HydrophobicContact CG1-CG 4.21Å; L97-R101 PolarHBondContact O-N 2.96Å; V98-R101 PolarHBondContact O-N 3.26Å; L99-R101 VanDerWaalsContact C-N 3.3Å; L99-R101 PolarHBondContact O-N 2.85Å; R101-L105 HydrophobicContact CG-CD1 4.39Å; R101-L105 WeakPolarHBondContact O-CG 3.19Å; R101-L105 PolarHBondContact O-N 3.03Å
102	R	88.4	Confident	86.7	Confident	43 Å²	43	39.6 Å²	39.6	16%	0.162	22%	0.219	C	C	.	.	H	α-helix	trans	-60.3	-49.2	173.3	-177.1	-153.4	73.2	-168.8	4	111.2	V72 V98 L99 L105 K106 N488	V72-R102 VanDerWaalsContact CG2-CA 3.5Å; V72-R102 HydrophobicContact CG2-CB 3.69Å; V72-R102 HydrophobicContact CG2-CG 4.1Å; V98-R102 WeakPolarHBondContact O-CB 3.48Å; V98-R102 PolarHBondContact O-N 2.84Å; L99-R102 WeakPolarHBondContact O-CB 3.49Å; L99-R102 PolarHBondContact O-N 2.83Å; L99-R102 VanDerWaalsContact O-N 3.17Å; R102-L105 PolarHBondContact O-N 3.23Å; R102-K106 WeakPolarHBondContact O-CB 3.43Å; R102-K106 PolarHBondContact O-N 2.72Å; R102-N488 PolarHBondContact NH2-ND2 2.91Å
103	D	86.1	Confident	85.9	Confident	20 Å²	20	36.7 Å²	36.7	11%	0.107	20%	0.202	C	C	.	.	H	α-helix	trans	-67.1	-39.5	-176.6	-70.3	-23.9	0	0	0	111.9	L99 Q100 L105 K106 A107 N488	L99-D103 PolarHBondContact O-N 3.26Å; Q100-D103 PolarHBondContact O-N 3.08Å; D103-L105 PolarHBondContact O-N 2.64Å; D103-K106 PolarHBondContact O-N 3.23Å; D103-A107 VanDerWaalsContact O-CB 3.28Å; D103-A107 WeakPolarHBondContact O-CB 3.49Å; D103-A107 PolarHBondContact O-N 2.88Å; D103-N488 PolarHBondContact OD1-ND2 3.26Å
104	Y	86.7	Confident	85.3	Confident	60 Å²	60	33.5 Å²	33.5	24%	0.235	19%	0.188	C	C	.	.	H	α-helix	trans	-56.7	-49.5	169.6	173.3	-98.5	0	0	0	112.7	Q100 A107 S108 V216 L218	Q100-Y104 WeakPolarHBondContact O-CB 3.17Å; Q100-Y104 PolarHBondContact O-N 2.8Å; Y104-A107 PolarHBondContact O-N 2.85Å; Y104-S108 VanDerWaalsContact O-CB 3.25Å; Y104-S108 WeakPolarHBondContact O-CB 2.95Å; Y104-S108 PolarHBondContact O-N 2.83Å; Y104-V216 HydrophobicContact CD2-CG1 4.13Å; Y104-V216 HydrophobicContact CE2-CG1 4.26Å; Y104-L218 HydrophobicContact CD1-CD1 4.4Å; Y104-L218 HydrophobicContact CD2-CB 4.31Å; Y104-L218 HydrophobicContact CG-CD1 3.99Å
105	L	83.2	Confident	84.8	Confident	52 Å²	52	36 Å²	36	27%	0.272	20%	0.204	S	C	.	.	H	α-helix	trans	-67.1	-39.3	179.8	-71.6	174.7	0	0	0	112.2	V72 R101 R102 D103 T109	V72-L105 HydrophobicContact CG2-CD1 3.97Å; R101-L105 HydrophobicContact CG-CD1 4.39Å; R101-L105 WeakPolarHBondContact O-CG 3.19Å; R101-L105 PolarHBondContact O-N 3.03Å; R102-L105 PolarHBondContact O-N 3.23Å; D103-L105 PolarHBondContact O-N 2.64Å; L105-T109 WeakPolarHBondContact O-CB 3.12Å; L105-T109 PolarHBondContact O-N 2.75Å; L105-T109 PolarHBondContact O-OG1 2.58Å
106	K	81.3	Confident	84.3	Confident	72 Å²	72	41.1 Å²	41.1	31%	0.313	23%	0.228	S	C	.	.	H	α-helix	trans	-61.9	-49.7	176.2	-174	179.7	174.3	-173.7	0	110.1	R102 D103 A110 N488	R102-K106 WeakPolarHBondContact O-CB 3.43Å; R102-K106 PolarHBondContact O-N 2.72Å; D103-K106 PolarHBondContact O-N 3.23Å; K106-A110 WeakPolarHBondContact O-CB 3.39Å; K106-A110 PolarHBondContact O-N 3.09Å; K106-N488 PolarHBondContact NZ-OD1 3.08Å
107	A	79.4	Confident	83.8	Confident	25 Å²	25	38.1 Å²	38.1	21%	0.207	21%	0.214	C	C	.	.	H	α-helix	trans	-62.9	-48.2	178.5	0	0	0	0	0	112.2	D103 Y104 T109 A110 L111 V216 M221	D103-A107 VanDerWaalsContact O-CB 3.28Å; D103-A107 WeakPolarHBondContact O-CB 3.49Å; D103-A107 PolarHBondContact O-N 2.88Å; Y104-A107 PolarHBondContact O-N 2.85Å; A107-T109 PolarHBondContact O-N 3.07Å; A107-A110 PolarHBondContact O-N 2.86Å; A107-L111 WeakPolarHBondContact O-CG 3.4Å; A107-L111 PolarHBondContact O-N 3.08Å; A107-L111 VanDerWaalsContact O-N 3.07Å; A107-V216 HydrophobicContact CB-CG1 3.75Å; A107-V216 HydrophobicContact CB-CG2 4.04Å; A107-M221 HydrophobicContact CB-CE 3.93Å; A107-M221 HydrophobicContact CB-SD 4.46Å
108	S	80.1	Confident	83.4	Confident	41 Å²	41	36.8 Å²	36.8	29%	0.287	21%	0.207	S	C	.	.	H	α-helix	trans	-62.8	-43.6	179.6	177.7	0	0	0	0	112.1	Y104 G112	Y104-S108 VanDerWaalsContact O-CB 3.25Å; Y104-S108 WeakPolarHBondContact O-CB 2.95Å; Y104-S108 PolarHBondContact O-N 2.83Å; S108-G112 PolarHBondContact O-N 3.33Å
109	T	77.8	Confident	83	Confident	94 Å²	94	41 Å²	41	58%	0.577	23%	0.229	S	C	*	.	H	α-helix	trans	-70.9	-39.1	178.1	-53.6	0	0	0	0	111.5	L105 A107 G112 R392	L105-T109 WeakPolarHBondContact O-CB 3.12Å; L105-T109 PolarHBondContact O-N 2.75Å; L105-T109 PolarHBondContact O-OG1 2.58Å; A107-T109 PolarHBondContact O-N 3.07Å; T109-G112 PolarHBondContact O-N 2.89Å; T109-R392 PolarHBondContact O-NH1 3.02Å
110	A	75.9	Confident	82.9	Confident	14 Å²	14	45 Å²	45	12%	0.116	25%	0.247	C	C	.	.	H	α-helix	trans	-56.7	-53.3	178.3	0	0	0	0	0	109.8	K106 A107 V114 R392	K106-A110 WeakPolarHBondContact O-CB 3.39Å; K106-A110 PolarHBondContact O-N 3.09Å; A107-A110 PolarHBondContact O-N 2.86Å; A110-V114 VanDerWaalsContact O-CG2 3.23Å; A110-V114 WeakPolarHBondContact O-CG2 3.26Å; A110-R392 HydrophobicContact CB-CB 4.28Å; A110-R392 WeakPolarHBondContact O-CD 3.28Å; A110-R392 PolarHBondContact O-NH1 3.19Å
111	L	75.6	Confident	82.7	Confident	25 Å²	25	43.8 Å²	43.8	13%	0.131	24%	0.241	C	C	.	.	H	α-helix	trans	-68.5	-39.1	179.9	-64.7	174.3	0	0	0	113.2	A107 G113 V114 E212 M213 V216	A107-L111 WeakPolarHBondContact O-CG 3.4Å; A107-L111 PolarHBondContact O-N 3.08Å; A107-L111 VanDerWaalsContact O-N 3.07Å; L111-G113 PolarHBondContact O-N 2.91Å; L111-G113 VanDerWaalsContact O-N 3.09Å; L111-V114 PolarHBondContact O-N 2.71Å; L111-V114 VanDerWaalsContact O-N 3.17Å; L111-E212 HydrophobicContact CD1-CB 3.87Å; L111-E212 HydrophobicContact CD2-CB 4.35Å; L111-M213 HydrophobicContact CB-CE 3.57Å; L111-M213 HydrophobicContact CB-SD 4.12Å; L111-V216 HydrophobicContact CD1-CG2 3.75Å
112	G	75.6	Confident	82.6	Confident	50 Å²	50	46.5 Å²	46.5	52%	0.515	25%	0.254	S	S	.	.	H	α-helix	trans	-61.6	-24	-168.9	0	0	0	0	0	116.1	S108 T109	S108-G112 PolarHBondContact O-N 3.33Å; T109-G112 PolarHBondContact O-N 2.89Å
113	G	77.5	Confident	82.5	Confident	9 Å²	9	52 Å²	52	9%	0.093	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	13.1	178.3	0	0	0	0	0	114.3	L111 P115 E116 L117	L111-G113 PolarHBondContact O-N 2.91Å; L111-G113 VanDerWaalsContact O-N 3.09Å; G113-P115 VanDerWaalsContact C-CD 3.49Å; G113-P115 VanDerWaalsContact C-N 3.33Å; G113-E116 PolarHBondContact O-N 2.91Å; G113-L117 WeakPolarHBondContact O-CG 3.27Å; G113-L117 PolarHBondContact O-N 2.71Å
114	V	82.7	Confident	82.6	Confident	20 Å²	20	51.5 Å²	51.5	12%	0.121	28%	0.28	C	S	.	.	H	α-helix	trans	-55.8	-45.7	167.2	177.1	0	0	0	0	110.7	A110 L111 E116 L117 L118 I209 L389	A110-V114 VanDerWaalsContact O-CG2 3.23Å; A110-V114 WeakPolarHBondContact O-CG2 3.26Å; L111-V114 PolarHBondContact O-N 2.71Å; L111-V114 VanDerWaalsContact O-N 3.17Å; V114-E116 PolarHBondContact O-N 3.3Å; V114-L117 PolarHBondContact O-N 3.47Å; V114-L118 HydrophobicContact CG1-CD1 3.79Å; V114-L118 HydrophobicContact CG1-CG 3.95Å; V114-L118 WeakPolarHBondContact O-CB 3.43Å; V114-L118 WeakPolarHBondContact O-CG 3.21Å; V114-L118 PolarHBondContact O-N 2.87Å; V114-I209 HydrophobicContact CB-CD1 4.3Å; V114-I209 HydrophobicContact CG1-CD1 3.74Å; V114-I209 HydrophobicContact CG1-CG1 4.42Å; V114-L389 HydrophobicContact CG1-CD1 4.19Å
115	P	82.3	Confident	82.6	Confident	51 Å²	51	52.2 Å²	52.2	33%	0.331	29%	0.292	S	S	.	.	H	α-helix	trans	-60.3	-42.2	-178.5	-25	35.6	0	0	0	113.4	G113 L117 L118 L119 I209	G113-P115 VanDerWaalsContact C-CD 3.49Å; G113-P115 VanDerWaalsContact C-N 3.33Å; P115-L117 PolarHBondContact O-N 2.67Å; P115-L118 PolarHBondContact O-N 2.83Å; P115-L119 WeakPolarHBondContact O-CG 3.27Å; P115-L119 PolarHBondContact O-N 2.93Å; P115-I209 HydrophobicContact CG-CD1 4.43Å; P115-I209 HydrophobicContact CG-CG2 4.22Å
116	E	84.2	Confident	82.9	Confident	108 Å²	108	51.3 Å²	51.3	51%	0.505	29%	0.287	S	S	.	.	H	α-helix	trans	-64.7	-40.6	178.1	-169	-165.3	148.9	0	0	111.8	G113 V114 L119 K120	G113-E116 PolarHBondContact O-N 2.91Å; V114-E116 PolarHBondContact O-N 3.3Å; E116-L119 PolarHBondContact O-N 3.29Å; E116-K120 WeakPolarHBondContact O-CG 3.42Å; E116-K120 PolarHBondContact O-N 2.9Å; E116-K120 VanDerWaalsContact O-N 3.08Å; E116-K120 VanDerWaalsContact OE1-CE 3.26Å; E116-K120 WeakPolarHBondContact OE1-CE 3.39Å; E116-K120 IonicContact OE1-NZ 3.35Å; E116-K120 PolarHBondContact OE1-NZ 3.43Å
117	L	83.1	Confident	83.3	Confident	8 Å²	8	48 Å²	48	4%	0.042	27%	0.273	C	S	.	.	H	α-helix	trans	-69.7	-38.9	177.3	-71	-179.8	0	0	0	112.2	G113 V114 P115 L119 K120 I121 D388 L389	G113-L117 WeakPolarHBondContact O-CG 3.27Å; G113-L117 PolarHBondContact O-N 2.71Å; V114-L117 PolarHBondContact O-N 3.47Å; P115-L117 PolarHBondContact O-N 2.67Å; L117-L119 VanDerWaalsContact C-N 3.27Å; L117-L119 PolarHBondContact O-N 3.18Å; L117-K120 HydrophobicContact CD2-CD 4.34Å; L117-K120 PolarHBondContact O-N 3.35Å; L117-K120 VanDerWaalsContact O-N 3.17Å; L117-I121 VanDerWaalsContact O-CG1 3.27Å; L117-I121 WeakPolarHBondContact O-CG1 3.39Å; L117-I121 PolarHBondContact O-N 3.07Å; L117-D388 HydrophobicContact CD1-CB 4.2Å; L117-D388 HydrophobicContact CD2-CB 3.9Å; L117-L389 HydrophobicContact CB-CD1 4.32Å; L117-L389 HydrophobicContact CD1-CB 4.35Å; L117-L389 HydrophobicContact CD1-CD1 4.36Å
118	L	84.6	Confident	83.8	Confident	7 Å²	7	47.1 Å²	47.1	4%	0.037	26%	0.264	C	S	.	.	H	α-helix	trans	-59.7	-39.7	173.8	-74.7	-178.3	0	0	0	111.5	V114 P115 I121 K122 F183 D186 I209 L389	V114-L118 HydrophobicContact CG1-CD1 3.79Å; V114-L118 HydrophobicContact CG1-CG 3.95Å; V114-L118 WeakPolarHBondContact O-CB 3.43Å; V114-L118 WeakPolarHBondContact O-CG 3.21Å; V114-L118 PolarHBondContact O-N 2.87Å; P115-L118 PolarHBondContact O-N 2.83Å; L118-I121 PolarHBondContact O-N 3.34Å; L118-K122 VanDerWaalsContact O-CB 3.32Å; L118-K122 WeakPolarHBondContact O-CB 3.47Å; L118-K122 PolarHBondContact O-N 2.94Å; L118-F183 HydrophobicContact CD2-CE1 3.7Å; L118-F183 HydrophobicContact CD2-CZ 3.81Å; L118-D186 WeakPolarHBondContact CD1-O 3.24Å; L118-I209 HydrophobicContact CD1-CD1 4.09Å; L118-L389 HydrophobicContact CD2-CD2 4.34Å
119	L	86.8	Confident	84.3	Confident	87 Å²	87	45.5 Å²	45.5	46%	0.455	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-46.6	172.7	-71	171.5	0	0	0	111.8	P115 E116 L117 I121 K122 E123	P115-L119 WeakPolarHBondContact O-CG 3.27Å; P115-L119 PolarHBondContact O-N 2.93Å; E116-L119 PolarHBondContact O-N 3.29Å; L117-L119 VanDerWaalsContact C-N 3.27Å; L117-L119 PolarHBondContact O-N 3.18Å; L119-I121 VanDerWaalsContact C-N 3.3Å; L119-I121 PolarHBondContact O-N 2.81Å; L119-K122 WeakPolarHBondContact O-CB 3.21Å; L119-K122 PolarHBondContact O-N 3.01Å; L119-K122 VanDerWaalsContact O-N 3.11Å; L119-E123 WeakPolarHBondContact O-CG 3.41Å; L119-E123 PolarHBondContact O-N 2.99Å
120	K	87.4	Confident	84.9	Confident	85 Å²	85	43 Å²	43	37%	0.37	23%	0.234	S	C	.	.	H	α-helix	trans	-60.6	-38.7	176.1	-70.8	176.5	-172	166.8	0	112.6	E116 L117 E123 S124 P385	E116-K120 WeakPolarHBondContact O-CG 3.42Å; E116-K120 PolarHBondContact O-N 2.9Å; E116-K120 VanDerWaalsContact O-N 3.08Å; E116-K120 VanDerWaalsContact OE1-CE 3.26Å; E116-K120 WeakPolarHBondContact OE1-CE 3.39Å; E116-K120 IonicContact OE1-NZ 3.35Å; E116-K120 PolarHBondContact OE1-NZ 3.43Å; L117-K120 HydrophobicContact CD2-CD 4.34Å; L117-K120 PolarHBondContact O-N 3.35Å; L117-K120 VanDerWaalsContact O-N 3.17Å; K120-E123 PolarHBondContact O-N 3Å; K120-S124 PolarHBondContact O-N 3.46Å; K120-S124 VanDerWaalsContact O-N 3.09Å; K120-P385 HydrophobicContact CB-CB 4.25Å
121	I	86.9	Confident	85.5	Confident	6 Å²	6	44.8 Å²	44.8	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-67.7	-40.8	175.2	-64.5	164.8	0	0	0	110	L117 L118 L119 E123 S124 K155 G157 P385 I386 L389	L117-I121 VanDerWaalsContact O-CG1 3.27Å; L117-I121 WeakPolarHBondContact O-CG1 3.39Å; L117-I121 PolarHBondContact O-N 3.07Å; L118-I121 PolarHBondContact O-N 3.34Å; L119-I121 VanDerWaalsContact C-N 3.3Å; L119-I121 PolarHBondContact O-N 2.81Å; I121-E123 VanDerWaalsContact C-N 3.33Å; I121-E123 PolarHBondContact O-N 3.43Å; I121-S124 PolarHBondContact O-N 2.66Å; I121-S124 PolarHBondContact O-OG 2.87Å; I121-K155 WeakPolarHBondContact O-CE 3.46Å; I121-K155 PolarHBondContact O-NZ 2.87Å; I121-G157 CarbonylContact C-O 3.57Å; I121-G157 VanDerWaalsContact O-O 3.06Å; I121-P385 HydrophobicContact CG1-CB 3.81Å; I121-I386 HydrophobicContact CG1-CG1 4.44Å; I121-L389 HydrophobicContact CD1-CB 4.02Å; I121-L389 HydrophobicContact CD1-CD2 3.65Å; I121-L389 HydrophobicContact CD1-CG 4.39Å
122	K	88	Confident	86.1	Confident	99 Å²	99	47.3 Å²	47.3	43%	0.43	25%	0.251	S	S	.	.	H	α-helix	trans	-62.1	-38.7	176.5	-167.2	176.4	-174.9	172.1	0	112.5	L118 L119 A158 D187	L118-K122 VanDerWaalsContact O-CB 3.32Å; L118-K122 WeakPolarHBondContact O-CB 3.47Å; L118-K122 PolarHBondContact O-N 2.94Å; L119-K122 WeakPolarHBondContact O-CB 3.21Å; L119-K122 PolarHBondContact O-N 3.01Å; L119-K122 VanDerWaalsContact O-N 3.11Å; K122-A158 HydrophobicContact CB-CB 4.23Å; K122-D187 IonicContact NZ-OD1 3.34Å; K122-D187 PolarHBondContact NZ-OD1 3.03Å
123	E	88.2	Confident	86.5	Confident	160 Å²	160	47.5 Å²	47.5	75%	0.748	24%	0.236	S	C	*	.	H	α-helix	trans	-76.6	-25.6	179.1	-72.1	178	172.4	0	0	113.7	L119 K120 I121	L119-E123 WeakPolarHBondContact O-CG 3.41Å; L119-E123 PolarHBondContact O-N 2.99Å; K120-E123 PolarHBondContact O-N 3Å; I121-E123 VanDerWaalsContact C-N 3.33Å; I121-E123 PolarHBondContact O-N 3.43Å
124	S	87.7	Confident	86.9	Confident	9 Å²	9	48.7 Å²	48.7	6%	0.063	24%	0.239	C	C	.	.	S	Bend	trans	-67.8	149.2	-179.7	72.5	0	0	0	0	111.1	K120 I121 K155	K120-S124 PolarHBondContact O-N 3.46Å; K120-S124 VanDerWaalsContact O-N 3.09Å; I121-S124 PolarHBondContact O-N 2.66Å; I121-S124 PolarHBondContact O-OG 2.87Å; S124-K155 PolarHBondContact O-NZ 2.82Å; S124-K155 WeakPolarHBondContact OG-CE 3.33Å; S124-K155 PolarHBondContact OG-NZ 2.96Å; S124-K155 VanDerWaalsContact OG-NZ 3.07Å
125	P	87.3	Confident	86.6	Confident	74 Å²	74	50.3 Å²	50.3	48%	0.481	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-67	147.9	179.9	-16.4	25.2	0	0	0	112.8	Q382	P125-Q382 HydrophobicContact CG-CG 4.43Å; P125-Q382 PolarHBondContact O-NE2 3.34Å
126	D	88.9	Confident	86.1	Confident	34 Å²	34	49.3 Å²	49.3	18%	0.182	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-65.3	145.8	176.5	-71.5	7	0	0	0	111.6	K155 S156 G157	D126-K155 WeakPolarHBondContact CA-O 3.32Å; D126-K155 WeakPolarHBondContact CB-O 3.06Å; D126-K155 IonicContact OD1-NZ 3.75Å; D126-S156 VanDerWaalsContact CG-CA 3.48Å; D126-S156 VanDerWaalsContact OD1-CA 3.29Å; D126-S156 WeakPolarHBondContact OD1-CA 3.36Å; D126-S156 WeakPolarHBondContact OD2-CB 3.33Å; D126-S156 PolarHBondContact OD2-OG 2.85Å; D126-G157 PolarHBondContact OD1-N 2.82Å
127	F	89.9	Confident	85.3	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.009	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	157.5	176.3	71.2	-94.6	0	0	0	113.3	M129 I153 K155 L377 Q382 I386 N434	F127-M129 HydrophobicContact CD2-CB 4.04Å; F127-M129 HydrophobicContact CD2-CE 4.14Å; F127-M129 HydrophobicContact CE2-CB 4.15Å; F127-M129 HydrophobicContact CE2-CE 3.42Å; F127-M129 VanDerWaalsContact CE2-CE 3.42Å; F127-M129 HydrophobicContact CZ-CE 4.05Å; F127-I153 HydrophobicContact CE2-CG2 4.03Å; F127-I153 HydrophobicContact CZ-CG2 4.42Å; F127-K155 HydrophobicContact CD1-CB 3.81Å; F127-K155 HydrophobicContact CD1-CD 4.15Å; F127-K155 HydrophobicContact CD1-CG 4.26Å; F127-K155 HydrophobicContact CE1-CB 3.54Å; F127-K155 HydrophobicContact CE1-CD 4.15Å; F127-K155 HydrophobicContact CE1-CG 3.86Å; F127-K155 HydrophobicContact CE2-CB 4.31Å; F127-K155 HydrophobicContact CG-CB 4.31Å; F127-K155 HydrophobicContact CZ-CB 3.82Å; F127-K155 HydrophobicContact CZ-CG 4.45Å; F127-K155 PolarHBondContact N-O 3.01Å; F127-K155 VanDerWaalsContact N-O 3.14Å; F127-K155 PolarHBondContact O-N 2.83Å; F127-L377 HydrophobicContact CB-CD1 4.45Å; F127-L377 HydrophobicContact CB-CD2 3.44Å; F127-L377 VanDerWaalsContact CB-CD2 3.44Å; F127-L377 HydrophobicContact CD1-CD2 4.41Å; F127-L377 HydrophobicContact CD2-CD1 3.96Å; F127-L377 HydrophobicContact CD2-CD2 4.4Å; F127-L377 HydrophobicContact CE2-CD1 4.5Å; F127-L377 HydrophobicContact CG-CD1 4.22Å; F127-L377 HydrophobicContact CG-CD2 3.86Å; F127-Q382 HydrophobicContact CD1-CB 4.28Å; F127-Q382 HydrophobicContact CE1-CB 4.21Å; F127-I386 HydrophobicContact CE1-CD1 3.97Å; F127-I386 HydrophobicContact CZ-CD1 3.93Å; F127-N434 WeakPolarHBondContact CA-OD1 3.12Å
128	Y	90.2	Very high	84.5	Confident	6 Å²	6	53.4 Å²	53.4	2%	0.024	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.4	164.7	170.2	-107.5	0	0	0	109.1	E130 R152 I153 W154 N432 V433 N434 C436	Y128-E130 HydrophobicContact CE1-CG 4.03Å; Y128-E130 WeakPolarHBondContact OH-CG 3.05Å; Y128-E130 PolarHBondContact OH-OE1 3.32Å; Y128-R152 HydrophobicContact CE2-CB 4.22Å; Y128-I153 WeakPolarHBondContact CA-O 3.29Å; Y128-I153 WeakPolarHBondContact CD2-O 3.14Å; Y128-W154 AromaticContact CD2-CD1 3.43Å; Y128-W154 VanDerWaalsContact CD2-CD1 3.43Å; Y128-W154 AromaticContact CD2-CD2 3.89Å; Y128-W154 HydrophobicContact CD2-CD2 3.89Å; Y128-W154 AromaticContact CD2-CE2 3.5Å; Y128-W154 VanDerWaalsContact CD2-CE2 3.5Å; Y128-W154 AromaticContact CD2-CG 3.87Å; Y128-W154 HydrophobicContact CD2-CG 3.87Å; Y128-W154 HydrophobicContact CD2-CZ2 4.16Å; Y128-W154 AromaticContact CD2-NE1 3.17Å; Y128-W154 HydrophobicContact CE2-CD2 4Å; Y128-W154 AromaticContact CE2-CE2 3.34Å; Y128-W154 HydrophobicContact CE2-CG 4.46Å; Y128-W154 HydrophobicContact CE2-CH2 4.29Å; Y128-W154 AromaticContact CE2-CZ2 3.51Å; Y128-W154 HydrophobicContact CE2-CZ2 3.51Å; Y128-W154 AromaticContact CE2-NE1 3.43Å; Y128-N432 VanDerWaalsContact CD1-O 3.24Å; Y128-N432 WeakPolarHBondContact CD1-O 3.17Å; Y128-N432 HydrophobicContact CE1-CB 4.35Å; Y128-N432 WeakPolarHBondContact CE1-O 3.35Å; Y128-V433 CarbonylContact O-C 3.56Å; Y128-V433 VanDerWaalsContact O-CA 3.24Å; Y128-V433 WeakPolarHBondContact O-CA 3.17Å; Y128-V433 WeakPolarHBondContact O-CG1 3.4Å; Y128-N434 PolarHBondContact N-OD1 3.1Å; Y128-N434 PolarHBondContact O-N 2.87Å; Y128-N434 PolarHBondContact O-OD1 3.43Å; Y128-C436 HydrophobicContact CD1-CB 3.66Å; Y128-C436 HydrophobicContact CE1-CB 3.64Å; Y128-C436 HydrophobicContact CG-CB 4.13Å
129	M	89.5	Confident	83.5	Confident	7 Å²	7	56 Å²	56	3%	0.034	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	140.9	179.7	152.3	166.2	52	0	0	111	F127 I153 L377 F412 F430 V433	F127-M129 HydrophobicContact CD2-CB 4.04Å; F127-M129 HydrophobicContact CD2-CE 4.14Å; F127-M129 HydrophobicContact CE2-CB 4.15Å; F127-M129 HydrophobicContact CE2-CE 3.42Å; F127-M129 VanDerWaalsContact CE2-CE 3.42Å; F127-M129 HydrophobicContact CZ-CE 4.05Å; M129-I153 HydrophobicContact CE-CD1 4.41Å; M129-I153 PolarHBondContact N-O 2.97Å; M129-I153 PolarHBondContact O-N 3.27Å; M129-L377 HydrophobicContact CB-CD1 4.26Å; M129-L377 HydrophobicContact CE-CD1 4.01Å; M129-L377 HydrophobicContact SD-CD1 4.17Å; M129-F412 HydrophobicContact SD-CZ 4.27Å; M129-F430 HydrophobicContact CG-CD1 4.49Å; M129-F430 HydrophobicContact SD-CB 4.45Å; M129-F430 HydrophobicContact SD-CD1 3.54Å; M129-F430 VanDerWaalsContact SD-CD1 3.54Å; M129-F430 HydrophobicContact SD-CE1 4.25Å; M129-F430 HydrophobicContact SD-CG 4.4Å; M129-V433 HydrophobicContact CB-CG2 4.44Å
130	E	90.9	Very high	81.8	Confident	42 Å²	42	57 Å²	57	20%	0.196	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.9	165.4	-66.2	-178.3	-171.2	0	0	109.5	Y128 V150 C151 R152 F430 G431 N432	Y128-E130 HydrophobicContact CE1-CG 4.03Å; Y128-E130 WeakPolarHBondContact OH-CG 3.05Å; Y128-E130 PolarHBondContact OH-OE1 3.32Å; E130-V150 HydrophobicContact CB-CG1 4.18Å; E130-V150 HydrophobicContact CG-CG1 4.46Å; E130-C151 WeakPolarHBondContact CA-O 3.45Å; E130-R152 HydrophobicContact CG-CG 4.23Å; E130-F430 WeakPolarHBondContact O-CA 3.3Å; E130-G431 PolarHBondContact N-O 3.34Å; E130-G431 PolarHBondContact O-N 2.84Å; E130-N432 HydrophobicContact CB-CB 4.11Å; E130-N432 VanDerWaalsContact CD-CB 3.49Å; E130-N432 VanDerWaalsContact CD-ND2 3.33Å; E130-N432 HydrophobicContact CG-CB 3.82Å; E130-N432 PolarHBondContact OE1-ND2 2.92Å
131	M	88.8	Confident	80.2	Confident	52 Å²	52	57.3 Å²	57.3	26%	0.256	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	104.4	171.3	-178.1	-177.3	74	0	0	108.2	C151 I153 I428 F430	M131-C151 HydrophobicContact CB-CB 4.44Å; M131-C151 HydrophobicContact CE-CB 4.09Å; M131-C151 PolarHBondContact N-O 2.93Å; M131-C151 PolarHBondContact O-N 3.32Å; M131-I153 HydrophobicContact CB-CD1 4.49Å; M131-I428 HydrophobicContact CG-CG2 3.82Å; M131-I428 HydrophobicContact SD-CG2 4.18Å; M131-F430 HydrophobicContact CB-CD1 4.09Å; M131-F430 HydrophobicContact CB-CE1 4.12Å; M131-F430 HydrophobicContact CG-CD1 3.95Å; M131-F430 HydrophobicContact CG-CE1 3.59Å; M131-F430 HydrophobicContact CG-CZ 4.28Å; M131-F430 HydrophobicContact SD-CE1 3.7Å; M131-F430 HydrophobicContact SD-CZ 4.2Å
132	K	88.7	Confident	78.6	Confident	78 Å²	78	60.6 Å²	60.6	34%	0.339	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	131.1	173.4	178.9	176.6	-180	-157.5	0	109	E134 D149 V150 I428 T429	K132-E134 WeakPolarHBondContact CE-OE2 3.38Å; K132-E134 IonicContact NZ-OE2 3Å; K132-E134 PolarHBondContact NZ-OE2 2.82Å; K132-D149 WeakPolarHBondContact CA-O 2.94Å; K132-V150 HydrophobicContact CB-CG2 4.12Å; K132-V150 HydrophobicContact CD-CG2 4.23Å; K132-V150 HydrophobicContact CG-CG2 3.93Å; K132-I428 CarbonylContact O-C 3.58Å; K132-I428 WeakPolarHBondContact O-CA 3.37Å; K132-T429 PolarHBondContact N-O 2.61Å; K132-T429 PolarHBondContact O-N 2.68Å
133	W	84	Confident	76.9	Confident	54 Å²	54	59 Å²	59	21%	0.205	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.3	168.7	72.9	-92	0	0	0	110.1	F135 P147 S148 D149 L166 R427 I428	W133-F135 HydrophobicContact CE3-CE2 4.26Å; W133-F135 HydrophobicContact CH2-CE2 4.22Å; W133-F135 AromaticContact CZ3-CD2 3.78Å; W133-F135 HydrophobicContact CZ3-CD2 3.78Å; W133-F135 AromaticContact CZ3-CE2 3.41Å; W133-F135 HydrophobicContact CZ3-CE2 3.41Å; W133-F135 VanDerWaalsContact CZ3-CE2 3.41Å; W133-F135 HydrophobicContact CZ3-CZ 4.12Å; W133-P147 HydrophobicContact CH2-CB 3.9Å; W133-P147 HydrophobicContact CH2-CG 3.88Å; W133-P147 HydrophobicContact CZ3-CB 4.29Å; W133-P147 HydrophobicContact CZ3-CG 3.94Å; W133-S148 CarbonylContact O-C 3.47Å; W133-S148 WeakPolarHBondContact O-CA 3.49Å; W133-S148 VanDerWaalsContact O-CB 3.29Å; W133-S148 WeakPolarHBondContact O-CB 3.3Å; W133-D149 HydrophobicContact CZ2-CB 3.99Å; W133-D149 PolarHBondContact N-O 2.83Å; W133-D149 PolarHBondContact O-N 3.47Å; W133-L166 HydrophobicContact CH2-CD2 3.33Å; W133-L166 HydrophobicContact CZ2-CB 4.17Å; W133-L166 HydrophobicContact CZ2-CD2 3.21Å; W133-L166 HydrophobicContact CZ2-CG 4.27Å; W133-R427 CarbonylContact C-O 3.58Å; W133-R427 VanDerWaalsContact CA-O 3.3Å; W133-R427 WeakPolarHBondContact CA-O 3.38Å; W133-I428 HydrophobicContact CB-CG1 4.23Å
134	E	84.1	Confident	75.3	Confident	34 Å²	34	61.7 Å²	61.7	16%	0.159	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	141.7	-177.9	62.1	-175.7	-162	0	0	110.2	K132 T136 R427	K132-E134 WeakPolarHBondContact CE-OE2 3.38Å; K132-E134 IonicContact NZ-OE2 3Å; K132-E134 PolarHBondContact NZ-OE2 2.82Å; E134-T136 HydrophobicContact CG-CG2 4.19Å; E134-R427 HydrophobicContact CG-CB 3.97Å; E134-R427 HydrophobicContact CG-CG 4.47Å; E134-R427 PolarHBondContact N-O 3.35Å; E134-R427 PolarHBondContact O-N 2.72Å; E134-R427 VanDerWaalsContact OE1-CD 3.31Å; E134-R427 WeakPolarHBondContact OE1-CD 3.42Å; E134-R427 IonicContact OE1-CZ 2.92Å; E134-R427 IonicContact OE1-NE 3.04Å; E134-R427 IonicContact OE1-NH1 3.6Å; E134-R427 PolarHBondContact OE1-NH1 2.89Å
135	F	76.8	Confident	73.9	Confident	53 Å²	53	67 Å²	67	23%	0.232	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	139.9	161.6	-61.9	-73.1	0	0	0	109.8	W133 C146 P147 L420 N425 A426	W133-F135 HydrophobicContact CE3-CE2 4.26Å; W133-F135 HydrophobicContact CH2-CE2 4.22Å; W133-F135 AromaticContact CZ3-CD2 3.78Å; W133-F135 HydrophobicContact CZ3-CD2 3.78Å; W133-F135 AromaticContact CZ3-CE2 3.41Å; W133-F135 HydrophobicContact CZ3-CE2 3.41Å; W133-F135 VanDerWaalsContact CZ3-CE2 3.41Å; W133-F135 HydrophobicContact CZ3-CZ 4.12Å; F135-C146 HydrophobicContact CB-CB 3.88Å; F135-C146 WeakPolarHBondContact O-CB 2.84Å; F135-P147 HydrophobicContact CD2-CG 3.49Å; F135-P147 VanDerWaalsContact CD2-CG 3.49Å; F135-P147 HydrophobicContact CE2-CG 3.68Å; F135-P147 PolarHBondContact N-O 3.5Å; F135-L420 HydrophobicContact CD1-CD1 3.91Å; F135-L420 HydrophobicContact CE1-CD1 3.46Å; F135-L420 VanDerWaalsContact CE1-CD1 3.46Å; F135-L420 HydrophobicContact CZ-CD1 4.48Å; F135-N425 CarbonylContact C-O 3.42Å; F135-N425 WeakPolarHBondContact CA-O 3.38Å; F135-A426 HydrophobicContact CD1-CB 3.89Å; F135-A426 HydrophobicContact CE1-CB 3.75Å
136	T	72.6	Confident	72.8	Confident	31 Å²	31	64.5 Å²	64.5	19%	0.19	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	142.9	176.7	56.1	0	0	0	0	109.7	E134 L424 N425	E134-T136 HydrophobicContact CG-CG2 4.19Å; T136-L424 WeakPolarHBondContact O-CA 3.25Å; T136-N425 PolarHBondContact N-O 3.34Å; T136-N425 PolarHBondContact O-N 3.49Å; T136-N425 PolarHBondContact OG1-O 3.26Å
137	S	68	Low	71.9	Confident	22 Å²	22	63.1 Å²	63.1	15%	0.154	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145.2	179.1	-168.7	0	0	0	0	111.2	I139 V423	S137-I139 VanDerWaalsContact C-N 3.32Å; S137-I139 PolarHBondContact OG-N 2.89Å; S137-V423 WeakPolarHBondContact CA-O 3.46Å; S137-V423 WeakPolarHBondContact CB-O 3.4Å; S137-V423 WeakPolarHBondContact OG-CG1 3.39Å; S137-V423 PolarHBondContact OG-O 2.93Å
138	W	64.5	Low	71.5	Confident	180 Å²	180	65.5 Å²	65.5	68%	0.682	32%	0.323	S	S	*	.	S	Bend	trans	-79.8	-16.1	170.3	64.7	-87.2	0	0	0	112.7	P140 H422 V423	W138-P140 WeakPolarHBondContact O-CD 3.32Å; W138-H422 PolarHBondContact NE1-O 2.95Å; W138-V423 VanDerWaalsContact CD1-CA 3.43Å; W138-V423 HydrophobicContact CD2-CG1 4.03Å; W138-V423 HydrophobicContact CG-CG1 3.89Å; W138-V423 HydrophobicContact CZ2-CG1 4.19Å; W138-V423 HydrophobicContact CZ2-CG2 4.03Å
139	I	63.8	Low	71.2	Confident	62 Å²	62	65.6 Å²	65.6	32%	0.318	32%	0.324	S	S	.	.	S	Bend	trans	-74.1	121.5	173.2	-75.3	170.4	0	0	0	108.7	S137 L142 V423	S137-I139 VanDerWaalsContact C-N 3.32Å; S137-I139 PolarHBondContact OG-N 2.89Å; I139-L142 HydrophobicContact CB-CB 4.32Å; I139-L142 HydrophobicContact CB-CD1 3.82Å; I139-L142 HydrophobicContact CB-CG 4.19Å; I139-L142 HydrophobicContact CD1-CD1 3.86Å; I139-L142 HydrophobicContact CG1-CD1 4.43Å; I139-L142 HydrophobicContact CG2-CB 4.15Å; I139-L142 HydrophobicContact CG2-CD1 3.69Å; I139-L142 HydrophobicContact CG2-CG 3.7Å; I139-L142 PolarHBondContact O-N 2.83Å; I139-V423 HydrophobicContact CB-CG1 3.89Å; I139-V423 HydrophobicContact CD1-CB 4.26Å; I139-V423 HydrophobicContact CD1-CG1 3.33Å; I139-V423 HydrophobicContact CD1-CG2 4.09Å; I139-V423 HydrophobicContact CG1-CG1 3.36Å
140	P	50.8	Low	71.1	Confident	107 Å²	107	67.9 Å²	67.9	70%	0.695	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	141.8	170.9	-21.2	32.9	0	0	0	110.2	W138 L142	W138-P140 WeakPolarHBondContact O-CD 3.32Å; P140-L142 VanDerWaalsContact C-N 3.32Å; P140-L142 PolarHBondContact O-N 2.82Å
141	L	53.8	Low	71	Confident	91 Å²	91	66.6 Å²	66.6	48%	0.476	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	-35.1	-177.2	-48.8	169.9	0	0	0	116.2	S143 R144 I589	L141-S143 PolarHBondContact O-N 2.83Å; L141-R144 PolarHBondContact O-N 2.99Å; L141-R144 VanDerWaalsContact O-N 3.14Å; L141-I589 HydrophobicContact CD1-CD1 3.79Å
142	L	53.4	Low	71.1	Confident	75 Å²	75	70 Å²	70	39%	0.393	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-63.8	-30.5	174.9	-75.7	-176.5	0	0	0	112.3	I139 P140 R144 I145 C146	I139-L142 HydrophobicContact CB-CB 4.32Å; I139-L142 HydrophobicContact CB-CD1 3.82Å; I139-L142 HydrophobicContact CB-CG 4.19Å; I139-L142 HydrophobicContact CD1-CD1 3.86Å; I139-L142 HydrophobicContact CG1-CD1 4.43Å; I139-L142 HydrophobicContact CG2-CB 4.15Å; I139-L142 HydrophobicContact CG2-CD1 3.69Å; I139-L142 HydrophobicContact CG2-CG 3.7Å; I139-L142 PolarHBondContact O-N 2.83Å; P140-L142 VanDerWaalsContact C-N 3.32Å; P140-L142 PolarHBondContact O-N 2.82Å; L142-R144 PolarHBondContact O-N 2.87Å; L142-I145 PolarHBondContact O-N 3.43Å; L142-I145 VanDerWaalsContact O-N 3.09Å; L142-C146 PolarHBondContact O-N 2.91Å; L142-C146 VanDerWaalsContact O-N 3.15Å; L142-C146 PolarHBondContact O-SG 3.44Å
143	S	53.5	Low	71.2	Confident	65 Å²	65	67.6 Å²	67.6	46%	0.455	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-62	-21.4	175.5	61.4	0	0	0	0	114.6	L141	L141-S143 PolarHBondContact O-N 2.83Å
144	R	54.5	Low	71.6	Confident	217 Å²	217	65.9 Å²	65.9	82%	0.819	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-80.6	-20	176.1	-76.4	-178.2	137.6	159.6	-4	113.3	L141 L142	L141-R144 PolarHBondContact O-N 2.99Å; L141-R144 VanDerWaalsContact O-N 3.14Å; L142-R144 PolarHBondContact O-N 2.87Å
145	I	59.1	Low	71.9	Confident	122 Å²	122	64.2 Å²	64.2	63%	0.626	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-18.5	-177.6	-54.6	170.5	0	0	0	110.4	L142	L142-I145 PolarHBondContact O-N 3.43Å; L142-I145 VanDerWaalsContact O-N 3.09Å
146	C	62.2	Low	72.5	Confident	20 Å²	20	62.8 Å²	62.8	14%	0.135	32%	0.317	C	S	.	.	S	Bend	trans	-57.1	123.5	173.1	-71.5	0	0	0	0	111.2	F135 L142	F135-C146 HydrophobicContact CB-CB 3.88Å; F135-C146 WeakPolarHBondContact O-CB 2.84Å; L142-C146 PolarHBondContact O-N 2.91Å; L142-C146 VanDerWaalsContact O-N 3.15Å; L142-C146 PolarHBondContact O-SG 3.44Å
147	P	71.6	Confident	73.3	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.032	32%	0.319	C	S	.	.			trans	-67.4	149.5	174.4	33.9	-40.4	0	0	0	109.5	W133 F135 L166 W174	W133-P147 HydrophobicContact CH2-CB 3.9Å; W133-P147 HydrophobicContact CH2-CG 3.88Å; W133-P147 HydrophobicContact CZ3-CB 4.29Å; W133-P147 HydrophobicContact CZ3-CG 3.94Å; F135-P147 HydrophobicContact CD2-CG 3.49Å; F135-P147 VanDerWaalsContact CD2-CG 3.49Å; F135-P147 HydrophobicContact CE2-CG 3.68Å; F135-P147 PolarHBondContact N-O 3.5Å; P147-L166 HydrophobicContact CB-CD2 4.29Å; P147-W174 HydrophobicContact CB-CD2 3.71Å; P147-W174 HydrophobicContact CB-CE3 4.04Å; P147-W174 HydrophobicContact CB-CG 4.18Å; P147-W174 HydrophobicContact CB-CH2 4.4Å; P147-W174 HydrophobicContact CB-CZ2 4.08Å; P147-W174 HydrophobicContact CB-CZ3 4.35Å; P147-W174 VanDerWaalsContact CD-CZ2 3.46Å; P147-W174 HydrophobicContact CG-CD2 3.91Å; P147-W174 VanDerWaalsContact CG-CE2 3.47Å; P147-W174 HydrophobicContact CG-CE3 4.08Å; P147-W174 HydrophobicContact CG-CH2 3.57Å; P147-W174 HydrophobicContact CG-CZ2 3.33Å; P147-W174 HydrophobicContact CG-CZ3 3.91Å
148	S	80.4	Confident	74.2	Confident	53 Å²	53	61.9 Å²	61.9	37%	0.371	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	151.7	165.9	54.5	0	0	0	0	108	W133	W133-S148 CarbonylContact O-C 3.47Å; W133-S148 WeakPolarHBondContact O-CA 3.49Å; W133-S148 VanDerWaalsContact O-CB 3.29Å; W133-S148 WeakPolarHBondContact O-CB 3.3Å
149	D	84.1	Confident	75.5	Confident	8 Å²	8	54.6 Å²	54.6	4%	0.043	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	159.4	170.8	-158.5	0.1	0	0	0	109.5	K132 W133 T165 L166	K132-D149 WeakPolarHBondContact CA-O 2.94Å; W133-D149 HydrophobicContact CZ2-CB 3.99Å; W133-D149 PolarHBondContact N-O 2.83Å; W133-D149 PolarHBondContact O-N 3.47Å; D149-T165 VanDerWaalsContact CG-OG1 3.3Å; D149-T165 WeakPolarHBondContact OD1-CB 3.41Å; D149-T165 PolarHBondContact OD1-N 3.1Å; D149-T165 PolarHBondContact OD1-OG1 3.46Å; D149-T165 PolarHBondContact OD2-N 3.3Å; D149-L166 HydrophobicContact CB-CB 4.14Å; D149-L166 PolarHBondContact OD2-N 3.2Å
150	V	87.3	Confident	76.8	Confident	55 Å²	55	52.8 Å²	52.8	33%	0.333	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	100.7	171.8	-177.6	0	0	0	0	107.4	E130 K132	E130-V150 HydrophobicContact CB-CG1 4.18Å; E130-V150 HydrophobicContact CG-CG1 4.46Å; K132-V150 HydrophobicContact CB-CG2 4.12Å; K132-V150 HydrophobicContact CD-CG2 4.23Å; K132-V150 HydrophobicContact CG-CG2 3.93Å
151	C	88.6	Confident	78.8	Confident	15 Å²	15	49.6 Å²	49.6	10%	0.101	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	126	175.3	-58.6	0	0	0	0	109.4	E130 M131 D163	E130-C151 WeakPolarHBondContact CA-O 3.45Å; M131-C151 HydrophobicContact CB-CB 4.44Å; M131-C151 HydrophobicContact CE-CB 4.09Å; M131-C151 PolarHBondContact N-O 2.93Å; M131-C151 PolarHBondContact O-N 3.32Å; C151-D163 VanDerWaalsContact CA-O 3.24Å; C151-D163 WeakPolarHBondContact CA-O 3.47Å
152	R	90.8	Very high	80.6	Confident	122 Å²	122	47.1 Å²	47.1	46%	0.46	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	130	175.6	-57.9	-179.2	179.3	152.9	-0.7	109.2	Y128 E130 W154 V162 D163	Y128-R152 HydrophobicContact CE2-CB 4.22Å; E130-R152 HydrophobicContact CG-CG 4.23Å; R152-W154 HydrophobicContact CB-CE3 4.19Å; R152-W154 HydrophobicContact CB-CH2 3.22Å; R152-W154 HydrophobicContact CB-CZ2 3.99Å; R152-W154 HydrophobicContact CB-CZ3 3.33Å; R152-W154 HydrophobicContact CG-CH2 4.07Å; R152-W154 WeakPolarHBondContact O-CZ3 3.4Å; R152-V162 CarbonylContact O-C 3.6Å; R152-V162 WeakPolarHBondContact O-CA 3.19Å; R152-D163 HydrophobicContact CB-CB 4.25Å; R152-D163 PolarHBondContact N-O 2.85Å; R152-D163 PolarHBondContact O-N 2.86Å
153	I	91.3	Very high	82.3	Confident	28 Å²	28	44.7 Å²	44.7	14%	0.144	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122.7	-172.9	-54.3	174.2	0	0	0	108.3	F127 Y128 M129 M131 L160 R161 V162	F127-I153 HydrophobicContact CE2-CG2 4.03Å; F127-I153 HydrophobicContact CZ-CG2 4.42Å; Y128-I153 WeakPolarHBondContact CA-O 3.29Å; Y128-I153 WeakPolarHBondContact CD2-O 3.14Å; M129-I153 HydrophobicContact CE-CD1 4.41Å; M129-I153 PolarHBondContact N-O 2.97Å; M129-I153 PolarHBondContact O-N 3.27Å; M131-I153 HydrophobicContact CB-CD1 4.49Å; I153-L160 HydrophobicContact CG2-CD1 3.83Å; I153-R161 WeakPolarHBondContact CA-O 3.06Å; I153-V162 HydrophobicContact CG1-CG1 4.49Å; I153-V162 HydrophobicContact CG1-CG2 4.43Å
154	W	91.6	Very high	83.9	Confident	18 Å²	18	42.3 Å²	42.3	7%	0.068	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.7	171.8	-62	-101.3	0	0	0	109.3	Y128 R152 L160 R161 D163 V464 V468 F469	Y128-W154 AromaticContact CD2-CD1 3.43Å; Y128-W154 VanDerWaalsContact CD2-CD1 3.43Å; Y128-W154 AromaticContact CD2-CD2 3.89Å; Y128-W154 HydrophobicContact CD2-CD2 3.89Å; Y128-W154 AromaticContact CD2-CE2 3.5Å; Y128-W154 VanDerWaalsContact CD2-CE2 3.5Å; Y128-W154 AromaticContact CD2-CG 3.87Å; Y128-W154 HydrophobicContact CD2-CG 3.87Å; Y128-W154 HydrophobicContact CD2-CZ2 4.16Å; Y128-W154 AromaticContact CD2-NE1 3.17Å; Y128-W154 HydrophobicContact CE2-CD2 4Å; Y128-W154 AromaticContact CE2-CE2 3.34Å; Y128-W154 HydrophobicContact CE2-CG 4.46Å; Y128-W154 HydrophobicContact CE2-CH2 4.29Å; Y128-W154 AromaticContact CE2-CZ2 3.51Å; Y128-W154 HydrophobicContact CE2-CZ2 3.51Å; Y128-W154 AromaticContact CE2-NE1 3.43Å; R152-W154 HydrophobicContact CB-CE3 4.19Å; R152-W154 HydrophobicContact CB-CH2 3.22Å; R152-W154 HydrophobicContact CB-CZ2 3.99Å; R152-W154 HydrophobicContact CB-CZ3 3.33Å; R152-W154 HydrophobicContact CG-CH2 4.07Å; R152-W154 WeakPolarHBondContact O-CZ3 3.4Å; W154-L160 CarbonylContact O-C 3.59Å; W154-L160 WeakPolarHBondContact O-CA 3.42Å; W154-R161 HydrophobicContact CB-CB 4.39Å; W154-R161 HydrophobicContact CE3-CB 4.17Å; W154-R161 HydrophobicContact CE3-CG 3.9Å; W154-R161 HydrophobicContact CZ3-CG 4.22Å; W154-R161 PolarHBondContact N-O 2.94Å; W154-R161 PolarHBondContact O-N 3.43Å; W154-D163 HydrophobicContact CH2-CB 4.36Å; W154-D163 WeakPolarHBondContact CH2-OD2 3.35Å; W154-D163 HydrophobicContact CZ3-CB 3.98Å; W154-D163 VanDerWaalsContact CZ3-CG 3.43Å; W154-D163 WeakPolarHBondContact CZ3-OD2 3.48Å; W154-V464 HydrophobicContact CB-CG1 4.22Å; W154-V464 HydrophobicContact CG-CG1 4.42Å; W154-V468 HydrophobicContact CB-CG1 4.19Å; W154-V468 HydrophobicContact CD2-CG1 3.92Å; W154-V468 HydrophobicContact CG-CG1 3.77Å; W154-F469 HydrophobicContact CB-CE1 4.33Å; W154-F469 HydrophobicContact CB-CZ 4.16Å
155	K	91.6	Very high	85.2	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.4	174.7	-176.9	-89.1	174.5	-163.1	0	108.9	I121 S124 D126 F127 G157 S159 L160 I386	I121-K155 WeakPolarHBondContact O-CE 3.46Å; I121-K155 PolarHBondContact O-NZ 2.87Å; S124-K155 PolarHBondContact O-NZ 2.82Å; S124-K155 WeakPolarHBondContact OG-CE 3.33Å; S124-K155 PolarHBondContact OG-NZ 2.96Å; S124-K155 VanDerWaalsContact OG-NZ 3.07Å; D126-K155 WeakPolarHBondContact CA-O 3.32Å; D126-K155 WeakPolarHBondContact CB-O 3.06Å; D126-K155 IonicContact OD1-NZ 3.75Å; F127-K155 HydrophobicContact CD1-CB 3.81Å; F127-K155 HydrophobicContact CD1-CD 4.15Å; F127-K155 HydrophobicContact CD1-CG 4.26Å; F127-K155 HydrophobicContact CE1-CB 3.54Å; F127-K155 HydrophobicContact CE1-CD 4.15Å; F127-K155 HydrophobicContact CE1-CG 3.86Å; F127-K155 HydrophobicContact CE2-CB 4.31Å; F127-K155 HydrophobicContact CG-CB 4.31Å; F127-K155 HydrophobicContact CZ-CB 3.82Å; F127-K155 HydrophobicContact CZ-CG 4.45Å; F127-K155 PolarHBondContact N-O 3.01Å; F127-K155 VanDerWaalsContact N-O 3.14Å; F127-K155 PolarHBondContact O-N 2.83Å; K155-G157 WeakPolarHBondContact CE-O 3.18Å; K155-G157 PolarHBondContact NZ-O 2.77Å; K155-G157 VanDerWaalsContact NZ-O 3.09Å; K155-S159 WeakPolarHBondContact CA-O 3.41Å; K155-L160 HydrophobicContact CB-CD1 4.22Å; K155-I386 HydrophobicContact CG-CD1 4.13Å
156	S	90.3	Very high	86.1	Confident	23 Å²	23	30.4 Å²	30.4	16%	0.161	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	122.7	172.1	-169.2	0	0	0	0	112	D126 A158 S159 F469	D126-S156 VanDerWaalsContact CG-CA 3.48Å; D126-S156 VanDerWaalsContact OD1-CA 3.29Å; D126-S156 WeakPolarHBondContact OD1-CA 3.36Å; D126-S156 WeakPolarHBondContact OD2-CB 3.33Å; D126-S156 PolarHBondContact OD2-OG 2.85Å; S156-A158 PolarHBondContact O-N 2.81Å; S156-S159 PolarHBondContact N-O 3.17Å; S156-S159 WeakPolarHBondContact O-CA 3.3Å; S156-S159 WeakPolarHBondContact O-CB 2.99Å; S156-S159 PolarHBondContact O-N 3.07Å; S156-F469 VanDerWaalsContact CB-CE2 3.47Å
157	G	88.3	Confident	86.8	Confident	22 Å²	22	32.4 Å²	32.4	23%	0.227	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	-127.3	-172.1	0	0	0	0	0	110.9	I121 D126 K155 S159	I121-G157 CarbonylContact C-O 3.57Å; I121-G157 VanDerWaalsContact O-O 3.06Å; D126-G157 PolarHBondContact OD1-N 2.82Å; K155-G157 WeakPolarHBondContact CE-O 3.18Å; K155-G157 PolarHBondContact NZ-O 2.77Å; K155-G157 VanDerWaalsContact NZ-O 3.09Å; G157-S159 VanDerWaalsContact C-N 3.33Å
158	A	87.6	Confident	86.6	Confident	12 Å²	12	33.4 Å²	33.4	10%	0.099	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	17.3	175.2	0	0	0	0	0	114	K122 S156 G185	K122-A158 HydrophobicContact CB-CB 4.23Å; S156-A158 PolarHBondContact O-N 2.81Å; A158-G185 WeakPolarHBondContact CB-O 3.46Å; A158-G185 PolarHBondContact O-N 2.85Å
159	S	90.9	Very high	85.4	Confident	26 Å²	26	35.1 Å²	35.1	18%	0.182	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	139.5	176.9	-57.8	0	0	0	0	111.6	K155 S156 G157 F183	K155-S159 WeakPolarHBondContact CA-O 3.41Å; S156-S159 PolarHBondContact N-O 3.17Å; S156-S159 WeakPolarHBondContact O-CA 3.3Å; S156-S159 WeakPolarHBondContact O-CB 2.99Å; S156-S159 PolarHBondContact O-N 3.07Å; G157-S159 VanDerWaalsContact C-N 3.33Å; S159-F183 CarbonylContact C-O 3.56Å; S159-F183 VanDerWaalsContact CA-O 3.23Å; S159-F183 WeakPolarHBondContact CA-O 3.47Å
160	L	91.8	Very high	83.9	Confident	24 Å²	24	38.9 Å²	38.9	13%	0.126	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	135.4	178.6	-179.2	73.1	0	0	0	108.8	I153 W154 K155 V162 I182 F183 I386	I153-L160 HydrophobicContact CG2-CD1 3.83Å; W154-L160 CarbonylContact O-C 3.59Å; W154-L160 WeakPolarHBondContact O-CA 3.42Å; K155-L160 HydrophobicContact CB-CD1 4.22Å; L160-V162 HydrophobicContact CD2-CG2 4.39Å; L160-V162 HydrophobicContact CG-CG2 4.32Å; L160-I182 CarbonylContact O-C 3.55Å; L160-F183 HydrophobicContact CB-CB 4.29Å; L160-F183 PolarHBondContact N-O 3.28Å; L160-F183 PolarHBondContact O-N 3.31Å; L160-I386 HydrophobicContact CD1-CD1 4.26Å; L160-I386 HydrophobicContact CD2-CG2 3.71Å
161	R	92.4	Very high	82.2	Confident	40 Å²	40	42.4 Å²	42.4	15%	0.151	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	133.3	170.6	174.2	174	169.1	172.5	-5	109.5	I153 W154 D163 S180 Y181 I182 V468 F469	I153-R161 WeakPolarHBondContact CA-O 3.06Å; W154-R161 HydrophobicContact CB-CB 4.39Å; W154-R161 HydrophobicContact CE3-CB 4.17Å; W154-R161 HydrophobicContact CE3-CG 3.9Å; W154-R161 HydrophobicContact CZ3-CG 4.22Å; W154-R161 PolarHBondContact N-O 2.94Å; W154-R161 PolarHBondContact O-N 3.43Å; R161-D163 WeakPolarHBondContact CG-OD1 3.38Å; R161-D163 IonicContact CZ-OD1 2.83Å; R161-D163 IonicContact CZ-OD2 3.7Å; R161-D163 IonicContact NE-OD1 3.6Å; R161-D163 PolarHBondContact NE-OD1 3.18Å; R161-D163 IonicContact NE-OD2 2.72Å; R161-D163 IonicContact NH2-OD1 3.92Å; R161-D163 PolarHBondContact NH2-OD1 2.73Å; R161-D163 IonicContact NH2-OD2 3.87Å; R161-D163 PolarHBondContact NH2-OD2 2.76Å; R161-S180 PolarHBondContact NH2-OG 3.45Å; R161-Y181 CarbonylContact C-O 3.52Å; R161-Y181 VanDerWaalsContact CA-O 3.29Å; R161-Y181 WeakPolarHBondContact CA-O 3.29Å; R161-I182 HydrophobicContact CB-CG1 4.33Å; R161-I182 HydrophobicContact CG-CG1 3.97Å; R161-V468 WeakPolarHBondContact CD-O 3.43Å; R161-V468 PolarHBondContact NH1-O 3.45Å; R161-F469 HydrophobicContact CB-CD1 3.93Å; R161-F469 HydrophobicContact CB-CE1 3.9Å
162	V	90.6	Very high	80.3	Confident	40 Å²	40	47.8 Å²	47.8	24%	0.242	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.4	174.3	-176.3	0	0	0	0	108.9	R152 I153 L160 S180 Y181	R152-V162 CarbonylContact O-C 3.6Å; R152-V162 WeakPolarHBondContact O-CA 3.19Å; I153-V162 HydrophobicContact CG1-CG1 4.49Å; I153-V162 HydrophobicContact CG1-CG2 4.43Å; L160-V162 HydrophobicContact CD2-CG2 4.39Å; L160-V162 HydrophobicContact CG-CG2 4.32Å; V162-S180 WeakPolarHBondContact O-CA 3.03Å; V162-Y181 PolarHBondContact N-O 3.01Å; V162-Y181 PolarHBondContact O-N 3.42Å
163	D	90.4	Very high	78.6	Confident	24 Å²	24	46 Å²	46	13%	0.128	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.4	172.3	-66.6	4.1	0	0	0	108.9	C151 R152 W154 R161 R179 S180	C151-D163 VanDerWaalsContact CA-O 3.24Å; C151-D163 WeakPolarHBondContact CA-O 3.47Å; R152-D163 HydrophobicContact CB-CB 4.25Å; R152-D163 PolarHBondContact N-O 2.85Å; R152-D163 PolarHBondContact O-N 2.86Å; W154-D163 HydrophobicContact CH2-CB 4.36Å; W154-D163 WeakPolarHBondContact CH2-OD2 3.35Å; W154-D163 HydrophobicContact CZ3-CB 3.98Å; W154-D163 VanDerWaalsContact CZ3-CG 3.43Å; W154-D163 WeakPolarHBondContact CZ3-OD2 3.48Å; R161-D163 WeakPolarHBondContact CG-OD1 3.38Å; R161-D163 IonicContact CZ-OD1 2.83Å; R161-D163 IonicContact CZ-OD2 3.7Å; R161-D163 IonicContact NE-OD1 3.6Å; R161-D163 PolarHBondContact NE-OD1 3.18Å; R161-D163 IonicContact NE-OD2 2.72Å; R161-D163 IonicContact NH2-OD1 3.92Å; R161-D163 PolarHBondContact NH2-OD1 2.73Å; R161-D163 IonicContact NH2-OD2 3.87Å; R161-D163 PolarHBondContact NH2-OD2 2.76Å; D163-R179 WeakPolarHBondContact CA-O 3.49Å; D163-S180 VanDerWaalsContact OD1-CB 3.22Å; D163-S180 WeakPolarHBondContact OD1-CB 3.3Å; D163-S180 PolarHBondContact OD1-OG 3.06Å; D163-S180 PolarHBondContact OD2-OG 2.95Å
164	A	85.9	Confident	77.4	Confident	14 Å²	14	49.1 Å²	49.1	12%	0.116	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	151.1	178.5	0	0	0	0	0	110.7	R179	A164-R179 PolarHBondContact N-O 3.07Å; A164-R179 PolarHBondContact O-N 2.79Å; A164-R179 VanDerWaalsContact O-N 3.07Å
165	T	83.1	Confident	76.5	Confident	60 Å²	60	51.9 Å²	51.9	37%	0.368	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	-19.6	176.8	75.1	0	0	0	0	113.8	D149 R176 G177	D149-T165 VanDerWaalsContact CG-OG1 3.3Å; D149-T165 WeakPolarHBondContact OD1-CB 3.41Å; D149-T165 PolarHBondContact OD1-N 3.1Å; D149-T165 PolarHBondContact OD1-OG1 3.46Å; D149-T165 PolarHBondContact OD2-N 3.3Å; T165-R176 CarbonylContact O-C 3.57Å; T165-R176 WeakPolarHBondContact O-CA 3.35Å; T165-G177 CarbonylContact C-O 3.48Å; T165-G177 VanDerWaalsContact CA-O 3.24Å; T165-G177 WeakPolarHBondContact CA-O 3.24Å; T165-G177 PolarHBondContact O-N 3.27Å; T165-G177 VanDerWaalsContact O-O 3.11Å
166	L	78.4	Confident	76	Confident	29 Å²	29	59.4 Å²	59.4	15%	0.152	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	113.7	170.9	-167.7	76	0	0	0	109.9	W133 P147 D149 W174 I175 R176	W133-L166 HydrophobicContact CH2-CD2 3.33Å; W133-L166 HydrophobicContact CZ2-CB 4.17Å; W133-L166 HydrophobicContact CZ2-CD2 3.21Å; W133-L166 HydrophobicContact CZ2-CG 4.27Å; P147-L166 HydrophobicContact CB-CD2 4.29Å; D149-L166 HydrophobicContact CB-CB 4.14Å; D149-L166 PolarHBondContact OD2-N 3.2Å; L166-W174 HydrophobicContact CD1-CB 3.8Å; L166-W174 HydrophobicContact CD1-CD2 4.5Å; L166-W174 HydrophobicContact CD1-CE3 4.13Å; L166-W174 HydrophobicContact CD1-CG 4.39Å; L166-W174 HydrophobicContact CD2-CE3 3.87Å; L166-W174 HydrophobicContact CD2-CZ3 4.28Å; L166-I175 WeakPolarHBondContact CD1-O 3.49Å; L166-R176 HydrophobicContact CD1-CG 3.88Å
167	L	75.4	Confident	75.8	Confident	63 Å²	63	58.9 Å²	58.9	33%	0.33	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-28.3	-174.3	-54	-172.3	0	0	0	112.5	I175 G177 R179	L167-I175 HydrophobicContact CB-CG2 4.1Å; L167-I175 PolarHBondContact N-O 3.14Å; L167-G177 WeakPolarHBondContact CD2-O 3.24Å; L167-R179 HydrophobicContact CD1-CG 3.83Å; L167-R179 HydrophobicContact CD2-CB 3.79Å; L167-R179 HydrophobicContact CD2-CG 3.28Å; L167-R179 HydrophobicContact CG-CG 4.19Å
168	G	67.6	Low	75.9	Confident	26 Å²	26	64.1 Å²	64.1	27%	0.268	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	173.6	-167.9	-179.7	0	0	0	0	0	113.2	I175	G168-I175 PolarHBondContact N-O 3.22Å; G168-I175 PolarHBondContact O-N 3.1Å
169	F	55.8	Low	75.9	Confident	89 Å²	89	65.9 Å²	65.9	39%	0.39	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	123.5	179	178.6	-104	0	0	0	107.7	M172 T173 W174	F169-M172 VanDerWaalsContact CE2-C 3.47Å; F169-M172 HydrophobicContact CZ-CB 4.36Å; F169-T173 WeakPolarHBondContact CA-O 3.39Å; F169-W174 HydrophobicContact CB-CE3 3.94Å; F169-W174 HydrophobicContact CB-CZ3 3.76Å; F169-W174 AromaticContact CD2-CD2 3.76Å; F169-W174 HydrophobicContact CD2-CD2 3.76Å; F169-W174 AromaticContact CD2-CE2 3.97Å; F169-W174 AromaticContact CD2-CE3 3.49Å; F169-W174 HydrophobicContact CD2-CE3 3.49Å; F169-W174 VanDerWaalsContact CD2-CE3 3.49Å; F169-W174 AromaticContact CD2-CH2 3.65Å; F169-W174 HydrophobicContact CD2-CH2 3.65Å; F169-W174 AromaticContact CD2-CZ2 3.91Å; F169-W174 HydrophobicContact CD2-CZ2 3.91Å; F169-W174 AromaticContact CD2-CZ3 3.46Å; F169-W174 HydrophobicContact CD2-CZ3 3.46Å; F169-W174 VanDerWaalsContact CD2-CZ3 3.46Å; F169-W174 HydrophobicContact CE2-CD2 4.29Å; F169-W174 HydrophobicContact CE2-CE3 4.36Å; F169-W174 AromaticContact CE2-CH2 3.93Å; F169-W174 HydrophobicContact CE2-CH2 3.93Å; F169-W174 AromaticContact CE2-CZ2 3.86Å; F169-W174 HydrophobicContact CE2-CZ2 3.86Å; F169-W174 HydrophobicContact CE2-CZ3 4.22Å; F169-W174 HydrophobicContact CG-CE3 4.14Å; F169-W174 HydrophobicContact CG-CH2 4.24Å; F169-W174 AromaticContact CG-CZ3 3.86Å; F169-W174 HydrophobicContact CG-CZ3 3.86Å
170	D	52.8	Low	75.9	Confident	86 Å²	86	64.7 Å²	64.7	46%	0.46	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.4	176.4	-175.5	33.1	0	0	0	109.4	M172 T173 I175	D170-M172 VanDerWaalsContact C-N 3.32Å; D170-M172 PolarHBondContact O-N 2.86Å; D170-T173 PolarHBondContact N-O 3.47Å; D170-T173 WeakPolarHBondContact O-CA 3.48Å; D170-T173 PolarHBondContact O-N 3.42Å; D170-T173 VanDerWaalsContact O-O 3.14Å; D170-T173 PolarHBondContact O-OG1 3.27Å; D170-I175 HydrophobicContact CB-CD1 3.76Å; D170-I175 HydrophobicContact CB-CG1 4.35Å
171	N	50.6	Low	75.8	Confident	130 Å²	130	67.7 Å²	67.7	70%	0.695	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.4	48.9	177.2	-62.2	-47.2	0	0	0	114.6	T173	N171-T173 PolarHBondContact O-N 2.76Å
172	M	49.2	Very low	75.7	Confident	128 Å²	128	66 Å²	66	63%	0.631	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	12.9	-177.6	-48	-169.1	-37	0	0	116	F169 D170	F169-M172 VanDerWaalsContact CE2-C 3.47Å; F169-M172 HydrophobicContact CZ-CB 4.36Å; D170-M172 VanDerWaalsContact C-N 3.32Å; D170-M172 PolarHBondContact O-N 2.86Å
173	T	54.5	Low	75.6	Confident	85 Å²	85	65.9 Å²	65.9	52%	0.521	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	137.7	179.3	64.5	0	0	0	0	111.7	F169 D170 N171 I175	F169-T173 WeakPolarHBondContact CA-O 3.39Å; D170-T173 PolarHBondContact N-O 3.47Å; D170-T173 WeakPolarHBondContact O-CA 3.48Å; D170-T173 PolarHBondContact O-N 3.42Å; D170-T173 VanDerWaalsContact O-O 3.14Å; D170-T173 PolarHBondContact O-OG1 3.27Å; N171-T173 PolarHBondContact O-N 2.76Å; T173-I175 PolarHBondContact O-N 2.84Å
174	W	66.3	Low	75.5	Confident	92 Å²	92	67.3 Å²	67.3	35%	0.348	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	120.2	177.6	-61.2	111.1	0	0	0	110.1	P147 L166 F169 R176	P147-W174 HydrophobicContact CB-CD2 3.71Å; P147-W174 HydrophobicContact CB-CE3 4.04Å; P147-W174 HydrophobicContact CB-CG 4.18Å; P147-W174 HydrophobicContact CB-CH2 4.4Å; P147-W174 HydrophobicContact CB-CZ2 4.08Å; P147-W174 HydrophobicContact CB-CZ3 4.35Å; P147-W174 VanDerWaalsContact CD-CZ2 3.46Å; P147-W174 HydrophobicContact CG-CD2 3.91Å; P147-W174 VanDerWaalsContact CG-CE2 3.47Å; P147-W174 HydrophobicContact CG-CE3 4.08Å; P147-W174 HydrophobicContact CG-CH2 3.57Å; P147-W174 HydrophobicContact CG-CZ2 3.33Å; P147-W174 HydrophobicContact CG-CZ3 3.91Å; L166-W174 HydrophobicContact CD1-CB 3.8Å; L166-W174 HydrophobicContact CD1-CD2 4.5Å; L166-W174 HydrophobicContact CD1-CE3 4.13Å; L166-W174 HydrophobicContact CD1-CG 4.39Å; L166-W174 HydrophobicContact CD2-CE3 3.87Å; L166-W174 HydrophobicContact CD2-CZ3 4.28Å; F169-W174 HydrophobicContact CB-CE3 3.94Å; F169-W174 HydrophobicContact CB-CZ3 3.76Å; F169-W174 AromaticContact CD2-CD2 3.76Å; F169-W174 HydrophobicContact CD2-CD2 3.76Å; F169-W174 AromaticContact CD2-CE2 3.97Å; F169-W174 AromaticContact CD2-CE3 3.49Å; F169-W174 HydrophobicContact CD2-CE3 3.49Å; F169-W174 VanDerWaalsContact CD2-CE3 3.49Å; F169-W174 AromaticContact CD2-CH2 3.65Å; F169-W174 HydrophobicContact CD2-CH2 3.65Å; F169-W174 AromaticContact CD2-CZ2 3.91Å; F169-W174 HydrophobicContact CD2-CZ2 3.91Å; F169-W174 AromaticContact CD2-CZ3 3.46Å; F169-W174 HydrophobicContact CD2-CZ3 3.46Å; F169-W174 VanDerWaalsContact CD2-CZ3 3.46Å; F169-W174 HydrophobicContact CE2-CD2 4.29Å; F169-W174 HydrophobicContact CE2-CE3 4.36Å; F169-W174 AromaticContact CE2-CH2 3.93Å; F169-W174 HydrophobicContact CE2-CH2 3.93Å; F169-W174 AromaticContact CE2-CZ2 3.86Å; F169-W174 HydrophobicContact CE2-CZ2 3.86Å; F169-W174 HydrophobicContact CE2-CZ3 4.22Å; F169-W174 HydrophobicContact CG-CE3 4.14Å; F169-W174 HydrophobicContact CG-CH2 4.24Å; F169-W174 AromaticContact CG-CZ3 3.86Å; F169-W174 HydrophobicContact CG-CZ3 3.86Å; W174-R176 PolarHBondContact O-N 2.91Å
175	I	72.9	Confident	75.4	Confident	77 Å²	77	67.3 Å²	67.3	40%	0.395	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	113.5	173.4	-54.4	175.2	0	0	0	107.4	L166 L167 G168 D170 T173	L166-I175 WeakPolarHBondContact CD1-O 3.49Å; L167-I175 HydrophobicContact CB-CG2 4.1Å; L167-I175 PolarHBondContact N-O 3.14Å; G168-I175 PolarHBondContact N-O 3.22Å; G168-I175 PolarHBondContact O-N 3.1Å; D170-I175 HydrophobicContact CB-CD1 3.76Å; D170-I175 HydrophobicContact CB-CG1 4.35Å; T173-I175 PolarHBondContact O-N 2.84Å
176	R	81.8	Confident	75.3	Confident	158 Å²	158	67.7 Å²	67.7	60%	0.596	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	145.9	176	-73.2	-178.3	174.8	142.5	1	110.8	T165 L166 W174	T165-R176 CarbonylContact O-C 3.57Å; T165-R176 WeakPolarHBondContact O-CA 3.35Å; L166-R176 HydrophobicContact CD1-CG 3.88Å; W174-R176 PolarHBondContact O-N 2.91Å
177	G	84.9	Confident	75	Confident	11 Å²	11	71.3 Å²	71.3	11%	0.113	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.3	153.7	175.3	0	0	0	0	0	110.3	T165 L167 R179 D198	T165-G177 CarbonylContact C-O 3.48Å; T165-G177 VanDerWaalsContact CA-O 3.24Å; T165-G177 WeakPolarHBondContact CA-O 3.24Å; T165-G177 PolarHBondContact O-N 3.27Å; T165-G177 VanDerWaalsContact O-O 3.11Å; L167-G177 WeakPolarHBondContact CD2-O 3.24Å; G177-R179 PolarHBondContact O-N 2.83Å; G177-D198 WeakPolarHBondContact CA-OD2 3.32Å
178	R	90.4	Very high	74.8	Confident	132 Å²	132	71.5 Å²	71.5	50%	0.498	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	104.2	-175.7	-67.5	-179.9	-60.5	144	10.2	110.2	H197 D198	R178-H197 HydrophobicContact CB-CB 3.9Å; R178-H197 PolarHBondContact NH2-O 3.2Å; R178-H197 PolarHBondContact O-N 3.44Å; R178-D198 IonicContact CZ-OD1 3.53Å; R178-D198 PolarHBondContact N-OD2 2.88Å; R178-D198 IonicContact NE-OD1 2.95Å; R178-D198 PolarHBondContact NE-OD1 2.82Å; R178-D198 IonicContact NH2-OD1 3.16Å; R178-D198 PolarHBondContact NH2-OD1 2.8Å
179	R	88.4	Confident	75.4	Confident	50 Å²	50	74.3 Å²	74.3	19%	0.189	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	139.7	177.3	-64	-69.3	169.7	142.2	-0.6	111.1	D163 A164 L167 G177 Y181 E194 V195 N196	D163-R179 WeakPolarHBondContact CA-O 3.49Å; A164-R179 PolarHBondContact N-O 3.07Å; A164-R179 PolarHBondContact O-N 2.79Å; A164-R179 VanDerWaalsContact O-N 3.07Å; L167-R179 HydrophobicContact CD1-CG 3.83Å; L167-R179 HydrophobicContact CD2-CB 3.79Å; L167-R179 HydrophobicContact CD2-CG 3.28Å; L167-R179 HydrophobicContact CG-CG 4.19Å; G177-R179 PolarHBondContact O-N 2.83Å; R179-Y181 HydrophobicContact CB-CE2 4.05Å; R179-E194 IonicContact CZ-OE1 3.34Å; R179-E194 IonicContact NE-OE1 2.85Å; R179-E194 IonicContact NH1-OE1 3.83Å; R179-E194 PolarHBondContact NH1-OE1 2.94Å; R179-V195 WeakPolarHBondContact CA-O 3.44Å; R179-N196 VanDerWaalsContact CZ-ND2 3.29Å; R179-N196 PolarHBondContact NH2-ND2 3.04Å
180	S	91.1	Very high	76.7	Confident	1 Å²	1	70.4 Å²	70.4	1%	0.007	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.2	168.5	-68.6	0	0	0	0	109.9	R161 V162 D163 V195 H197	R161-S180 PolarHBondContact NH2-OG 3.45Å; V162-S180 WeakPolarHBondContact O-CA 3.03Å; D163-S180 VanDerWaalsContact OD1-CB 3.22Å; D163-S180 WeakPolarHBondContact OD1-CB 3.3Å; D163-S180 PolarHBondContact OD1-OG 3.06Å; D163-S180 PolarHBondContact OD2-OG 2.95Å; S180-V195 PolarHBondContact N-O 2.86Å; S180-V195 WeakPolarHBondContact O-CB 2.8Å; S180-V195 PolarHBondContact O-N 2.74Å; S180-H197 WeakPolarHBondContact CB-NE2 3.37Å; S180-H197 PolarHBondContact OG-NE2 3.34Å
181	Y	89.5	Confident	78.3	Confident	87 Å²	87	67.5 Å²	67.5	34%	0.341	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	114.4	173.2	-59.6	-82.3	0	0	0	108	R161 V162 R179 M193 E194	R161-Y181 CarbonylContact C-O 3.52Å; R161-Y181 VanDerWaalsContact CA-O 3.29Å; R161-Y181 WeakPolarHBondContact CA-O 3.29Å; V162-Y181 PolarHBondContact N-O 3.01Å; V162-Y181 PolarHBondContact O-N 3.42Å; R179-Y181 HydrophobicContact CB-CE2 4.05Å; Y181-M193 WeakPolarHBondContact CA-O 2.85Å; Y181-E194 HydrophobicContact CD1-CB 4.41Å; Y181-E194 HydrophobicContact CD1-CG 4.15Å; Y181-E194 HydrophobicContact CE1-CB 4.36Å; Y181-E194 HydrophobicContact CE1-CG 3.73Å
182	I	89.6	Confident	80	Confident	3 Å²	3	64.2 Å²	64.2	2%	0.015	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	117.2	-178.8	-56.2	173.4	0	0	0	107.9	L160 R161 K184 L192 M193 V195 F469	L160-I182 CarbonylContact O-C 3.55Å; R161-I182 HydrophobicContact CB-CG1 4.33Å; R161-I182 HydrophobicContact CG-CG1 3.97Å; I182-K184 HydrophobicContact CG2-CG 4.33Å; I182-L192 CarbonylContact O-C 3.57Å; I182-L192 WeakPolarHBondContact O-CA 3.44Å; I182-M193 HydrophobicContact CB-CB 4.21Å; I182-M193 HydrophobicContact CG2-SD 4.48Å; I182-M193 PolarHBondContact N-O 3.43Å; I182-M193 PolarHBondContact O-N 2.91Å; I182-V195 HydrophobicContact CD1-CG2 3.95Å; I182-F469 HydrophobicContact CG2-CB 4.18Å; I182-F469 HydrophobicContact CG2-CD1 4.35Å
183	F	89.4	Confident	81.8	Confident	39 Å²	39	58.3 Å²	58.3	17%	0.171	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	133	171.9	177.4	-95.3	0	0	0	109.6	L118 S159 L160 A190 E191 L192 L389	L118-F183 HydrophobicContact CD2-CE1 3.7Å; L118-F183 HydrophobicContact CD2-CZ 3.81Å; S159-F183 CarbonylContact C-O 3.56Å; S159-F183 VanDerWaalsContact CA-O 3.23Å; S159-F183 WeakPolarHBondContact CA-O 3.47Å; L160-F183 HydrophobicContact CB-CB 4.29Å; L160-F183 PolarHBondContact N-O 3.28Å; L160-F183 PolarHBondContact O-N 3.31Å; F183-A190 HydrophobicContact CE2-CB 3.82Å; F183-A190 HydrophobicContact CZ-CB 3.95Å; F183-E191 CarbonylContact C-O 3.59Å; F183-E191 WeakPolarHBondContact CA-O 3.29Å; F183-L192 HydrophobicContact CB-CD1 4.34Å; F183-L389 HydrophobicContact CE1-CD2 3.96Å; F183-L389 HydrophobicContact CZ-CD2 3.9Å
184	K	88.3	Confident	83.5	Confident	54 Å²	54	57.3 Å²	57.3	24%	0.235	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	109.7	172.4	-66.1	-177.5	177.7	176.6	0	108.9	I182 A190 E191 F469	I182-K184 HydrophobicContact CG2-CG 4.33Å; K184-A190 CarbonylContact O-C 3.59Å; K184-A190 WeakPolarHBondContact O-CA 3.5Å; K184-E191 HydrophobicContact CB-CB 4.4Å; K184-E191 PolarHBondContact N-O 3.35Å; K184-E191 PolarHBondContact O-N 3.42Å; K184-F469 WeakPolarHBondContact CE-O 3.15Å; K184-F469 PolarHBondContact NZ-O 3.2Å
185	G	83.6	Confident	84.7	Confident	13 Å²	13	53 Å²	53	13%	0.134	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	135.9	169.6	0	0	0	0	0	111.2	A158	A158-G185 WeakPolarHBondContact CB-O 3.46Å; A158-G185 PolarHBondContact O-N 2.85Å
186	D	80.4	Confident	85.5	Confident	68 Å²	68	49.7 Å²	49.7	36%	0.364	24%	0.236	S	C	.	.			trans	-122.6	179	163.6	-171.8	29.7	0	0	0	109.5	L118 S188 H189	L118-D186 WeakPolarHBondContact CD1-O 3.24Å; D186-S188 PolarHBondContact O-N 3.43Å; D186-S188 VanDerWaalsContact O-N 3.15Å; D186-H189 WeakPolarHBondContact CB-CE1 2.93Å; D186-H189 WeakPolarHBondContact CB-ND1 3.43Å; D186-H189 PolarHBondContact N-O 3.32Å; D186-H189 IonicContact OD2-CE1 2.87Å; D186-H189 PolarHBondContact OD2-CE1 2.94Å; D186-H189 IonicContact OD2-ND1 2.82Å; D186-H189 PolarHBondContact OD2-ND1 3.3Å
187	D	72.8	Confident	86	Confident	105 Å²	105	43.8 Å²	43.8	56%	0.561	22%	0.215	S	C	*	.	S	Bend	trans	-63.8	-22.1	-174.5	-61.1	-17.3	0	0	0	113.1	K122	K122-D187 IonicContact NZ-OD1 3.34Å; K122-D187 PolarHBondContact NZ-OD1 3.03Å
188	S	72.1	Confident	86.2	Confident	68 Å²	68	47.2 Å²	47.2	48%	0.476	23%	0.231	S	C	.	.	S	Bend	trans	-132.3	-13.8	-175.5	58.7	0	0	0	0	115.7	D186 I209	D186-S188 PolarHBondContact O-N 3.43Å; D186-S188 VanDerWaalsContact O-N 3.15Å; S188-I209 PolarHBondContact O-N 3.26Å
189	H	79.4	Confident	86.2	Confident	85 Å²	85	46.5 Å²	46.5	39%	0.394	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	149.8	-177.5	67.3	-72.7	0	0	0	110.6	D186 F207	D186-H189 WeakPolarHBondContact CB-CE1 2.93Å; D186-H189 WeakPolarHBondContact CB-ND1 3.43Å; D186-H189 PolarHBondContact N-O 3.32Å; D186-H189 IonicContact OD2-CE1 2.87Å; D186-H189 PolarHBondContact OD2-CE1 2.94Å; D186-H189 IonicContact OD2-ND1 2.82Å; D186-H189 PolarHBondContact OD2-ND1 3.3Å; H189-F207 CarbonylContact C-O 3.53Å; H189-F207 VanDerWaalsContact CA-O 3.3Å; H189-F207 WeakPolarHBondContact CA-O 3.31Å
190	A	83.1	Confident	86.3	Confident	7 Å²	7	44.7 Å²	44.7	6%	0.058	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140	170.3	0	0	0	0	0	109.2	F183 K184 F207	F183-A190 HydrophobicContact CE2-CB 3.82Å; F183-A190 HydrophobicContact CZ-CB 3.95Å; K184-A190 CarbonylContact O-C 3.59Å; K184-A190 WeakPolarHBondContact O-CA 3.5Å; A190-F207 HydrophobicContact CB-CB 4.35Å; A190-F207 HydrophobicContact CB-CD2 4.45Å; A190-F207 PolarHBondContact N-O 2.81Å; A190-F207 PolarHBondContact O-N 2.79Å
191	E	86.4	Confident	86.3	Confident	25 Å²	25	46 Å²	46	12%	0.117	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123.9	175.4	-175.1	172.9	-132.9	0	0	108.3	F183 K184 M193 T204 E205 R206	F183-E191 CarbonylContact C-O 3.59Å; F183-E191 WeakPolarHBondContact CA-O 3.29Å; K184-E191 HydrophobicContact CB-CB 4.4Å; K184-E191 PolarHBondContact N-O 3.35Å; K184-E191 PolarHBondContact O-N 3.42Å; E191-M193 HydrophobicContact CG-CG 4Å; E191-T204 HydrophobicContact CG-CG2 3.73Å; E191-T204 VanDerWaalsContact OE1-CG2 3.29Å; E191-T204 WeakPolarHBondContact OE1-CG2 3.49Å; E191-E205 CarbonylContact C-O 3.59Å; E191-E205 WeakPolarHBondContact CA-O 3.4Å; E191-R206 HydrophobicContact CB-CG 4.41Å; E191-R206 HydrophobicContact CG-CG 4.01Å; E191-R206 IonicContact OE1-CZ 3.53Å; E191-R206 VanDerWaalsContact OE1-CZ 3.29Å; E191-R206 IonicContact OE1-NE 2.58Å; E191-R206 PolarHBondContact OE1-NE 2.82Å; E191-R206 IonicContact OE1-NH2 2.75Å; E191-R206 PolarHBondContact OE1-NH2 2.95Å
192	L	86.8	Confident	86.4	Confident	60 Å²	60	41.9 Å²	41.9	31%	0.314	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.1	171	-177.7	64.8	0	0	0	108.3	I182 F183 T204 E205 F207	I182-L192 CarbonylContact O-C 3.57Å; I182-L192 WeakPolarHBondContact O-CA 3.44Å; F183-L192 HydrophobicContact CB-CD1 4.34Å; L192-T204 WeakPolarHBondContact O-CA 3.41Å; L192-E205 PolarHBondContact N-O 3.36Å; L192-E205 PolarHBondContact O-N 3.36Å; L192-F207 HydrophobicContact CB-CE2 3.88Å
193	M	87.2	Confident	86.3	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.02	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.5	-179.8	-41.9	176.8	77.7	0	0	108.7	Y181 I182 E191 V202 D203 T204 V471	Y181-M193 WeakPolarHBondContact CA-O 2.85Å; I182-M193 HydrophobicContact CB-CB 4.21Å; I182-M193 HydrophobicContact CG2-SD 4.48Å; I182-M193 PolarHBondContact N-O 3.43Å; I182-M193 PolarHBondContact O-N 2.91Å; E191-M193 HydrophobicContact CG-CG 4Å; M193-V202 HydrophobicContact CB-CG1 4.2Å; M193-V202 HydrophobicContact CE-CG1 4.02Å; M193-D203 CarbonylContact C-O 3.57Å; M193-D203 VanDerWaalsContact CA-O 3.3Å; M193-D203 WeakPolarHBondContact CA-O 3.44Å; M193-T204 HydrophobicContact CE-CG2 4.42Å; M193-T204 HydrophobicContact CG-CG2 4.22Å; M193-V471 HydrophobicContact CE-CB 4.42Å; M193-V471 HydrophobicContact CE-CG2 3.32Å; M193-V471 HydrophobicContact SD-CG2 4.05Å
194	E	89.7	Confident	86.2	Confident	65 Å²	65	43.6 Å²	43.6	30%	0.304	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116.6	166.1	-174.1	-176.3	153.9	0	0	108.5	R179 Y181 V202 D203	R179-E194 IonicContact CZ-OE1 3.34Å; R179-E194 IonicContact NE-OE1 2.85Å; R179-E194 IonicContact NH1-OE1 3.83Å; R179-E194 PolarHBondContact NH1-OE1 2.94Å; Y181-E194 HydrophobicContact CD1-CB 4.41Å; Y181-E194 HydrophobicContact CD1-CG 4.15Å; Y181-E194 HydrophobicContact CE1-CB 4.36Å; Y181-E194 HydrophobicContact CE1-CG 3.73Å; E194-V202 WeakPolarHBondContact O-CA 3.29Å; E194-D203 HydrophobicContact CB-CB 4.46Å; E194-D203 PolarHBondContact N-O 2.84Å; E194-D203 PolarHBondContact O-N 2.82Å
195	V	90.8	Very high	85.9	Confident	1 Å²	1	45.4 Å²	45.4	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	114.7	-178.6	-177.6	0	0	0	0	109	R179 S180 I182 H197 V202 V471 Y475	R179-V195 WeakPolarHBondContact CA-O 3.44Å; S180-V195 PolarHBondContact N-O 2.86Å; S180-V195 WeakPolarHBondContact O-CB 2.8Å; S180-V195 PolarHBondContact O-N 2.74Å; I182-V195 HydrophobicContact CD1-CG2 3.95Å; V195-H197 VanDerWaalsContact CG1-CE1 3.45Å; V195-H197 WeakPolarHBondContact CG1-CE1 3.33Å; V195-V202 HydrophobicContact CB-CG2 4.22Å; V195-V202 HydrophobicContact CG1-CG2 3.94Å; V195-V202 HydrophobicContact CG2-CG1 4.12Å; V195-V202 HydrophobicContact CG2-CG2 3.92Å; V195-V471 HydrophobicContact CG2-CG2 3.99Å; V195-Y475 HydrophobicContact CG1-CD2 3.73Å; V195-Y475 HydrophobicContact CG1-CE2 3.57Å
196	N	91.2	Very high	85.8	Confident	8 Å²	8	53.2 Å²	53.2	4%	0.043	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	105.6	170.2	-175.6	-10.1	0	0	0	109.9	R179 D198 D199 G200 V201	R179-N196 VanDerWaalsContact CZ-ND2 3.29Å; R179-N196 PolarHBondContact NH2-ND2 3.04Å; N196-D198 VanDerWaalsContact C-N 3.31Å; N196-D198 PolarHBondContact OD1-N 3.03Å; N196-D199 PolarHBondContact ND2-OD2 2.93Å; N196-D199 PolarHBondContact OD1-N 3.14Å; N196-G200 VanDerWaalsContact O-CA 3.25Å; N196-G200 WeakPolarHBondContact O-CA 3.29Å; N196-G200 PolarHBondContact O-N 2.85Å; N196-V201 HydrophobicContact CB-CB 4.44Å; N196-V201 WeakPolarHBondContact CB-O 3.45Å; N196-V201 PolarHBondContact N-O 3.21Å; N196-V201 PolarHBondContact O-N 3Å; N196-V201 VanDerWaalsContact O-N 3.12Å
197	H	91.5	Very high	85.6	Confident	33 Å²	33	53 Å²	53	15%	0.153	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.2	-179	-68.4	-69.7	0	0	0	114.1	R178 S180 V195 Y475	R178-H197 HydrophobicContact CB-CB 3.9Å; R178-H197 PolarHBondContact NH2-O 3.2Å; R178-H197 PolarHBondContact O-N 3.44Å; S180-H197 WeakPolarHBondContact CB-NE2 3.37Å; S180-H197 PolarHBondContact OG-NE2 3.34Å; V195-H197 VanDerWaalsContact CG1-CE1 3.45Å; V195-H197 WeakPolarHBondContact CG1-CE1 3.33Å; H197-Y475 AromaticContact ND1-CE2 3.42Å; H197-Y475 WeakPolarHBondContact ND1-CE2 3.36Å; H197-Y475 AromaticContact ND1-CZ 3.51Å; H197-Y475 PolarHBondContact ND1-OH 3.41Å
198	D	89.9	Confident	86	Confident	83 Å²	83	51 Å²	51	44%	0.444	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-40.6	-179	-60.6	-35.1	0	0	0	110.5	G177 R178 N196	G177-D198 WeakPolarHBondContact CA-OD2 3.32Å; R178-D198 IonicContact CZ-OD1 3.53Å; R178-D198 PolarHBondContact N-OD2 2.88Å; R178-D198 IonicContact NE-OD1 2.95Å; R178-D198 PolarHBondContact NE-OD1 2.82Å; R178-D198 IonicContact NH2-OD1 3.16Å; R178-D198 PolarHBondContact NH2-OD1 2.8Å; N196-D198 VanDerWaalsContact C-N 3.31Å; N196-D198 PolarHBondContact OD1-N 3.03Å
199	D	89.6	Confident	86.2	Confident	117 Å²	117	48.5 Å²	48.5	63%	0.626	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-9.6	176.1	-60.3	-42.1	0	0	0	113.7	N196 V201	N196-D199 PolarHBondContact ND2-OD2 2.93Å; N196-D199 PolarHBondContact OD1-N 3.14Å; D199-V201 VanDerWaalsContact C-N 3.3Å; D199-V201 HydrophobicContact CB-CG2 3.91Å; D199-V201 PolarHBondContact O-N 2.88Å
200	G	91	Very high	86	Confident	13 Å²	13	48 Å²	48	13%	0.134	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	37.3	-174.3	0	0	0	0	0	112.6	N196 Y475 H476	N196-G200 VanDerWaalsContact O-CA 3.25Å; N196-G200 WeakPolarHBondContact O-CA 3.29Å; N196-G200 PolarHBondContact O-N 2.85Å; G200-Y475 CarbonylContact O-C 3.54Å; G200-Y475 VanDerWaalsContact O-CA 3.24Å; G200-Y475 WeakPolarHBondContact O-CA 3.17Å; G200-Y475 WeakPolarHBondContact O-CB 3.19Å; G200-H476 PolarHBondContact O-N 2.81Å
201	V	91	Very high	85.8	Confident	29 Å²	29	52.5 Å²	52.5	18%	0.176	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	141.5	-178.4	178	0	0	0	0	109.4	N196 D199 H476 R478	N196-V201 HydrophobicContact CB-CB 4.44Å; N196-V201 WeakPolarHBondContact CB-O 3.45Å; N196-V201 PolarHBondContact N-O 3.21Å; N196-V201 PolarHBondContact O-N 3Å; N196-V201 VanDerWaalsContact O-N 3.12Å; D199-V201 VanDerWaalsContact C-N 3.3Å; D199-V201 HydrophobicContact CB-CG2 3.91Å; D199-V201 PolarHBondContact O-N 2.88Å; V201-H476 CarbonylContact C-O 3.56Å; V201-H476 WeakPolarHBondContact CA-O 3.38Å; V201-R478 HydrophobicContact CG1-CB 4.28Å
202	V	91.1	Very high	85.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	123.2	172.4	-178.2	0	0	0	0	110.2	M193 E194 V195 V471 Y475 H476 R477 R478	M193-V202 HydrophobicContact CB-CG1 4.2Å; M193-V202 HydrophobicContact CE-CG1 4.02Å; E194-V202 WeakPolarHBondContact O-CA 3.29Å; V195-V202 HydrophobicContact CB-CG2 4.22Å; V195-V202 HydrophobicContact CG1-CG2 3.94Å; V195-V202 HydrophobicContact CG2-CG1 4.12Å; V195-V202 HydrophobicContact CG2-CG2 3.92Å; V202-V471 HydrophobicContact CB-CG1 4.42Å; V202-V471 HydrophobicContact CG1-CG2 4.1Å; V202-V471 HydrophobicContact CG2-CB 4.43Å; V202-V471 HydrophobicContact CG2-CG1 3.44Å; V202-V471 VanDerWaalsContact CG2-CG1 3.44Å; V202-V471 HydrophobicContact CG2-CG2 4.07Å; V202-Y475 HydrophobicContact CG2-CD2 3.96Å; V202-H476 PolarHBondContact N-O 3.2Å; V202-R477 HydrophobicContact CB-CG 4.46Å; V202-R477 CarbonylContact O-C 3.57Å; V202-R477 WeakPolarHBondContact O-CA 3.41Å; V202-R478 PolarHBondContact O-N 3.23Å
203	D	86.9	Confident	84.6	Confident	51 Å²	51	53.7 Å²	53.7	27%	0.273	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	132	166.8	-65.5	-58.1	0	0	0	107.7	M193 E194 R478	M193-D203 CarbonylContact C-O 3.57Å; M193-D203 VanDerWaalsContact CA-O 3.3Å; M193-D203 WeakPolarHBondContact CA-O 3.44Å; E194-D203 HydrophobicContact CB-CB 4.46Å; E194-D203 PolarHBondContact N-O 2.84Å; E194-D203 PolarHBondContact O-N 2.82Å; D203-R478 WeakPolarHBondContact OD1-CB 3.33Å; D203-R478 WeakPolarHBondContact OD1-CD 3.43Å
204	T	87.3	Confident	84.1	Confident	26 Å²	26	61 Å²	61	16%	0.16	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	122.9	-175.8	-58.1	0	0	0	0	109.9	E191 L192 M193 R206	E191-T204 HydrophobicContact CG-CG2 3.73Å; E191-T204 VanDerWaalsContact OE1-CG2 3.29Å; E191-T204 WeakPolarHBondContact OE1-CG2 3.49Å; L192-T204 WeakPolarHBondContact O-CA 3.41Å; M193-T204 HydrophobicContact CE-CG2 4.42Å; M193-T204 HydrophobicContact CG-CG2 4.22Å; T204-R206 HydrophobicContact CG2-CG 4.32Å
205	E	81.9	Confident	83.5	Confident	93 Å²	93	62.2 Å²	62.2	44%	0.435	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.5	175.7	-62.9	-174.7	167.6	0	0	108.9	E191 L192 F207	E191-E205 CarbonylContact C-O 3.59Å; E191-E205 WeakPolarHBondContact CA-O 3.4Å; L192-E205 PolarHBondContact N-O 3.36Å; L192-E205 PolarHBondContact O-N 3.36Å; E205-F207 HydrophobicContact CB-CE2 3.76Å; E205-F207 HydrophobicContact CB-CZ 3.71Å; E205-F207 WeakPolarHBondContact OE2-CZ 3.14Å
206	R	81.4	Confident	83	Confident	176 Å²	176	63.2 Å²	63.2	66%	0.664	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.2	124.3	-179.3	-70.7	179.2	177.3	-173.1	-6.8	109.1	E191 T204	E191-R206 HydrophobicContact CB-CG 4.41Å; E191-R206 HydrophobicContact CG-CG 4.01Å; E191-R206 IonicContact OE1-CZ 3.53Å; E191-R206 VanDerWaalsContact OE1-CZ 3.29Å; E191-R206 IonicContact OE1-NE 2.58Å; E191-R206 PolarHBondContact OE1-NE 2.82Å; E191-R206 IonicContact OE1-NH2 2.75Å; E191-R206 PolarHBondContact OE1-NH2 2.95Å; T204-R206 HydrophobicContact CG2-CG 4.32Å
207	F	77.8	Confident	82.6	Confident	64 Å²	64	65.9 Å²	65.9	28%	0.281	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	115.9	-178.2	-52	-88.6	0	0	0	108.3	H189 A190 L192 E205 E212	H189-F207 CarbonylContact C-O 3.53Å; H189-F207 VanDerWaalsContact CA-O 3.3Å; H189-F207 WeakPolarHBondContact CA-O 3.31Å; A190-F207 HydrophobicContact CB-CB 4.35Å; A190-F207 HydrophobicContact CB-CD2 4.45Å; A190-F207 PolarHBondContact N-O 2.81Å; A190-F207 PolarHBondContact O-N 2.79Å; L192-F207 HydrophobicContact CB-CE2 3.88Å; E205-F207 HydrophobicContact CB-CE2 3.76Å; E205-F207 HydrophobicContact CB-CZ 3.71Å; E205-F207 WeakPolarHBondContact OE2-CZ 3.14Å; F207-E212 WeakPolarHBondContact CA-OE1 3.41Å; F207-E212 VanDerWaalsContact CB-OE1 3.28Å; F207-E212 WeakPolarHBondContact CB-OE1 3.23Å; F207-E212 WeakPolarHBondContact CD1-OE1 3.29Å
208	N	79.9	Confident	82.2	Confident	64 Å²	64	67.7 Å²	67.7	34%	0.342	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	105.7	168	-176.9	-29.9	0	0	0	107.6	S210 Q211 E212	N208-S210 PolarHBondContact O-N 2.96Å; N208-S210 VanDerWaalsContact O-N 3.15Å; N208-S210 PolarHBondContact OD1-N 2.9Å; N208-S210 VanDerWaalsContact OD1-N 3.09Å; N208-S210 PolarHBondContact OD1-OG 2.93Å; N208-Q211 HydrophobicContact CB-CB 3.99Å; N208-Q211 PolarHBondContact O-N 3.04Å; N208-Q211 VanDerWaalsContact O-N 3.14Å; N208-Q211 PolarHBondContact OD1-N 2.79Å; N208-E212 WeakPolarHBondContact O-CB 3.37Å; N208-E212 WeakPolarHBondContact O-CG 3.43Å; N208-E212 PolarHBondContact O-N 3.07Å
209	I	76.4	Confident	81.9	Confident	14 Å²	14	71.5 Å²	71.5	7%	0.072	36%	0.358	C	S	.	.	H	α-helix	trans	-57.4	-37.1	-172.7	-58	169.1	0	0	0	110.8	V114 P115 L118 S188 M213	V114-I209 HydrophobicContact CB-CD1 4.3Å; V114-I209 HydrophobicContact CG1-CD1 3.74Å; V114-I209 HydrophobicContact CG1-CG1 4.42Å; P115-I209 HydrophobicContact CG-CD1 4.43Å; P115-I209 HydrophobicContact CG-CG2 4.22Å; L118-I209 HydrophobicContact CD1-CD1 4.09Å; S188-I209 PolarHBondContact O-N 3.26Å; I209-M213 WeakPolarHBondContact O-CB 3.4Å; I209-M213 PolarHBondContact O-N 2.79Å; I209-M213 VanDerWaalsContact O-N 3.16Å
210	S	75	Confident	81.5	Confident	74 Å²	74	69.2 Å²	69.2	52%	0.517	35%	0.351	S	S	.	.	H	α-helix	trans	-71.9	-42.9	-179.7	63.2	0	0	0	0	113.1	N208 M213 E214	N208-S210 PolarHBondContact O-N 2.96Å; N208-S210 VanDerWaalsContact O-N 3.15Å; N208-S210 PolarHBondContact OD1-N 2.9Å; N208-S210 VanDerWaalsContact OD1-N 3.09Å; N208-S210 PolarHBondContact OD1-OG 2.93Å; S210-M213 WeakPolarHBondContact O-CB 3.48Å; S210-M213 PolarHBondContact O-N 2.96Å; S210-E214 PolarHBondContact O-N 3.46Å
211	Q	78.1	Confident	81.2	Confident	102 Å²	102	71 Å²	71	48%	0.477	36%	0.356	S	S	.	.	H	α-helix	trans	-70	-42.4	178.9	-173.1	-177	-20.6	0	0	111.3	N208 M213 E214 E215	N208-Q211 HydrophobicContact CB-CB 3.99Å; N208-Q211 PolarHBondContact O-N 3.04Å; N208-Q211 VanDerWaalsContact O-N 3.14Å; N208-Q211 PolarHBondContact OD1-N 2.79Å; Q211-M213 VanDerWaalsContact C-N 3.25Å; Q211-M213 PolarHBondContact O-N 3.11Å; Q211-E214 PolarHBondContact O-N 2.78Å; Q211-E214 VanDerWaalsContact O-N 3.08Å; Q211-E215 PolarHBondContact NE2-OE1 3.36Å; Q211-E215 PolarHBondContact O-N 2.85Å; Q211-E215 VanDerWaalsContact O-N 3.11Å
212	E	74.6	Confident	81	Confident	40 Å²	40	75.8 Å²	75.8	19%	0.187	38%	0.376	C	S	.	.	H	α-helix	trans	-63	-34.7	177.1	-73.3	178.7	-169.6	0	0	111.8	L111 F207 N208 E214 E215 V216	L111-E212 HydrophobicContact CD1-CB 3.87Å; L111-E212 HydrophobicContact CD2-CB 4.35Å; F207-E212 WeakPolarHBondContact CA-OE1 3.41Å; F207-E212 VanDerWaalsContact CB-OE1 3.28Å; F207-E212 WeakPolarHBondContact CB-OE1 3.23Å; F207-E212 WeakPolarHBondContact CD1-OE1 3.29Å; N208-E212 WeakPolarHBondContact O-CB 3.37Å; N208-E212 WeakPolarHBondContact O-CG 3.43Å; N208-E212 PolarHBondContact O-N 3.07Å; E212-E214 VanDerWaalsContact C-N 3.3Å; E212-E214 PolarHBondContact O-N 2.84Å; E212-E215 PolarHBondContact O-N 3.32Å; E212-V216 VanDerWaalsContact O-CG2 3.29Å; E212-V216 WeakPolarHBondContact O-CG2 3.48Å; E212-V216 PolarHBondContact O-N 2.9Å; E212-V216 VanDerWaalsContact O-N 3.11Å
213	M	74.6	Confident	80.8	Confident	70 Å²	70	76.3 Å²	76.3	35%	0.345	38%	0.38	S	S	.	.	H	α-helix	trans	-60.8	-38.5	173.6	-164	71.3	66.5	0	0	112.5	L111 I209 S210 Q211	L111-M213 HydrophobicContact CB-CE 3.57Å; L111-M213 HydrophobicContact CB-SD 4.12Å; I209-M213 WeakPolarHBondContact O-CB 3.4Å; I209-M213 PolarHBondContact O-N 2.79Å; I209-M213 VanDerWaalsContact O-N 3.16Å; S210-M213 WeakPolarHBondContact O-CB 3.48Å; S210-M213 PolarHBondContact O-N 2.96Å; Q211-M213 VanDerWaalsContact C-N 3.25Å; Q211-M213 PolarHBondContact O-N 3.11Å
214	E	76.1	Confident	80.9	Confident	159 Å²	159	76.6 Å²	76.6	74%	0.743	39%	0.39	S	S	*	.	H	α-helix	trans	-72.7	-32.3	178.7	-69.3	-178.3	179.2	0	0	112.2	S210 Q211 E212	S210-E214 PolarHBondContact O-N 3.46Å; Q211-E214 PolarHBondContact O-N 2.78Å; Q211-E214 VanDerWaalsContact O-N 3.08Å; E212-E214 VanDerWaalsContact C-N 3.3Å; E212-E214 PolarHBondContact O-N 2.84Å
215	E	77.4	Confident	81	Confident	90 Å²	90	83.4 Å²	83.4	42%	0.421	42%	0.42	S	S	.	.	H	α-helix	trans	-77.1	-22.7	179.1	-69.5	177.8	-169	0	0	113.2	Q211 E212 T217 S220	Q211-E215 PolarHBondContact NE2-OE1 3.36Å; Q211-E215 PolarHBondContact O-N 2.85Å; Q211-E215 VanDerWaalsContact O-N 3.11Å; E212-E215 PolarHBondContact O-N 3.32Å; E215-T217 PolarHBondContact O-N 3.15Å; E215-S220 PolarHBondContact O-OG 3.21Å
216	V	80.8	Confident	81.4	Confident	22 Å²	22	87 Å²	87	13%	0.133	44%	0.436	C	S	.	.			trans	-74.7	91.3	174.4	174.2	0	0	0	0	109.9	Y104 A107 L111 E212 M221	Y104-V216 HydrophobicContact CD2-CG1 4.13Å; Y104-V216 HydrophobicContact CE2-CG1 4.26Å; A107-V216 HydrophobicContact CB-CG1 3.75Å; A107-V216 HydrophobicContact CB-CG2 4.04Å; L111-V216 HydrophobicContact CD1-CG2 3.75Å; E212-V216 VanDerWaalsContact O-CG2 3.29Å; E212-V216 WeakPolarHBondContact O-CG2 3.48Å; E212-V216 PolarHBondContact O-N 2.9Å; E212-V216 VanDerWaalsContact O-N 3.11Å; V216-M221 HydrophobicContact CB-CE 4.35Å; V216-M221 HydrophobicContact CG1-CE 4.1Å; V216-M221 HydrophobicContact CG2-CE 3.89Å
217	T	82.8	Confident	81.7	Confident	63 Å²	63	81.2 Å²	81.2	39%	0.387	42%	0.417	S	S	.	.			trans	-115.6	159.7	173.2	66.9	0	0	0	0	110	E215 E219 S220 M221	E215-T217 PolarHBondContact O-N 3.15Å; T217-E219 PolarHBondContact O-N 3.09Å; T217-S220 PolarHBondContact N-OG 2.69Å; T217-S220 PolarHBondContact O-N 3.35Å; T217-S220 PolarHBondContact O-OG 3.01Å; T217-S220 PolarHBondContact OG1-N 2.83Å; T217-S220 VanDerWaalsContact OG1-N 3.15Å; T217-S220 PolarHBondContact OG1-OG 3.23Å; T217-S220 VanDerWaalsContact OG1-OG 3.09Å; T217-M221 VanDerWaalsContact O-CG 3.32Å; T217-M221 WeakPolarHBondContact O-CG 3.28Å; T217-M221 PolarHBondContact O-N 3.25Å
218	L	82.4	Confident	82.4	Confident	71 Å²	71	78.6 Å²	78.6	37%	0.372	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-34.8	176.1	-172.4	67.6	0	0	0	111.2	Q100 Y104 M221	Q100-L218 HydrophobicContact CG-CD1 3.9Å; Q100-L218 HydrophobicContact CG-CG 4.34Å; Q100-L218 PolarHBondContact NE2-O 2.69Å; Y104-L218 HydrophobicContact CD1-CD1 4.4Å; Y104-L218 HydrophobicContact CD2-CB 4.31Å; Y104-L218 HydrophobicContact CG-CD1 3.99Å; L218-M221 PolarHBondContact O-N 3Å
219	E	83.1	Confident	82.9	Confident	164 Å²	164	78 Å²	78	77%	0.766	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-36.1	179.7	-64.9	-176.3	176.9	0	0	112.6	T217 M221	T217-E219 PolarHBondContact O-N 3.09Å; E219-M221 PolarHBondContact O-N 2.98Å
220	S	82.3	Confident	83.5	Confident	69 Å²	69	81.2 Å²	81.2	48%	0.483	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-14.8	176.2	60.2	0	0	0	0	113.7	E215 T217	E215-S220 PolarHBondContact O-OG 3.21Å; T217-S220 PolarHBondContact N-OG 2.69Å; T217-S220 PolarHBondContact O-N 3.35Å; T217-S220 PolarHBondContact O-OG 3.01Å; T217-S220 PolarHBondContact OG1-N 2.83Å; T217-S220 VanDerWaalsContact OG1-N 3.15Å; T217-S220 PolarHBondContact OG1-OG 3.23Å; T217-S220 VanDerWaalsContact OG1-OG 3.09Å
221	M	85	Confident	84.2	Confident	49 Å²	49	79 Å²	79	24%	0.241	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	24.7	-176.8	-65.2	-67.5	160.1	0	0	114.1	Q100 A107 V216 T217 L218 E219 P223	Q100-M221 WeakPolarHBondContact CG-O 3.49Å; A107-M221 HydrophobicContact CB-CE 3.93Å; A107-M221 HydrophobicContact CB-SD 4.46Å; V216-M221 HydrophobicContact CB-CE 4.35Å; V216-M221 HydrophobicContact CG1-CE 4.1Å; V216-M221 HydrophobicContact CG2-CE 3.89Å; T217-M221 VanDerWaalsContact O-CG 3.32Å; T217-M221 WeakPolarHBondContact O-CG 3.28Å; T217-M221 PolarHBondContact O-N 3.25Å; L218-M221 PolarHBondContact O-N 3Å; E219-M221 PolarHBondContact O-N 2.98Å; M221-P223 WeakPolarHBondContact O-CD 3.43Å
222	Q	85.3	Confident	84.8	Confident	130 Å²	130	75.7 Å²	75.7	61%	0.607	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-66.5	123.1	175.8	-75.9	-173	8.1	0	0	110.9
223	P	88.1	Confident	85.6	Confident	12 Å²	12	76.3 Å²	76.3	8%	0.078	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-72.3	147.3	178.2	31.1	-35.3	0	0	0	110.2	Q96 L99 M221 V228	Q96-P223 HydrophobicContact CG-CG 3.87Å; L99-P223 HydrophobicContact CB-CG 4.29Å; L99-P223 HydrophobicContact CD2-CB 3.46Å; L99-P223 VanDerWaalsContact CD2-CB 3.46Å; L99-P223 HydrophobicContact CD2-CG 3.86Å; L99-P223 HydrophobicContact CG-CB 3.86Å; L99-P223 HydrophobicContact CG-CG 4.04Å; M221-P223 WeakPolarHBondContact O-CD 3.43Å; P223-V228 HydrophobicContact CB-CG2 4.26Å; P223-V228 HydrophobicContact CG-CG2 4.08Å
224	A	89.3	Confident	86.3	Confident	57 Å²	57	75.2 Å²	75.2	47%	0.471	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-66.1	142.2	175.8	0	0	0	0	0	110.7	Q226 E227 V228	A224-Q226 PolarHBondContact O-N 3.15Å; A224-E227 HydrophobicContact CB-CB 4.34Å; A224-E227 WeakPolarHBondContact O-CB 3.28Å; A224-E227 PolarHBondContact O-N 2.94Å; A224-V228 PolarHBondContact O-N 3.34Å; A224-V228 VanDerWaalsContact O-N 3.15Å
225	E	89.9	Confident	86.8	Confident	169 Å²	169	69.2 Å²	69.2	79%	0.79	37%	0.367	S	S	*	.	H	α-helix	trans	-56.7	-36.3	177.9	-66.4	-177.7	175.5	0	0	112.2	E227 V228 A229	E225-E227 VanDerWaalsContact C-N 3.31Å; E225-E227 PolarHBondContact O-N 3.09Å; E225-V228 PolarHBondContact O-N 3.4Å; E225-A229 VanDerWaalsContact O-CB 3.32Å; E225-A229 WeakPolarHBondContact O-CB 3.47Å; E225-A229 PolarHBondContact O-N 3.22Å
226	Q	88.9	Confident	87.4	Confident	169 Å²	169	65.4 Å²	65.4	79%	0.79	35%	0.35	S	S	*	.	H	α-helix	trans	-62.7	-37	175.5	-67.3	-179.1	-9	0	0	112.6	A224 K230	A224-Q226 PolarHBondContact O-N 3.15Å; Q226-K230 VanDerWaalsContact O-CB 3.29Å; Q226-K230 WeakPolarHBondContact O-CB 3.49Å; Q226-K230 PolarHBondContact O-N 2.48Å
227	E	88.1	Confident	87.5	Confident	54 Å²	54	65.6 Å²	65.6	25%	0.252	35%	0.351	S	S	.	.	H	α-helix	trans	-70.4	-38.8	178.4	176.2	174.5	-170.3	0	0	111.1	L99 A224 E225 R231	L99-E227 HydrophobicContact CD2-CG 4.43Å; A224-E227 HydrophobicContact CB-CB 4.34Å; A224-E227 WeakPolarHBondContact O-CB 3.28Å; A224-E227 PolarHBondContact O-N 2.94Å; E225-E227 VanDerWaalsContact C-N 3.31Å; E225-E227 PolarHBondContact O-N 3.09Å; E227-R231 PolarHBondContact O-N 3.26Å; E227-R231 IonicContact OE1-CZ 3.86Å; E227-R231 IonicContact OE1-NH1 2.83Å; E227-R231 PolarHBondContact OE1-NH1 3.17Å; E227-R231 IonicContact OE1-NH2 2.98Å; E227-R231 PolarHBondContact OE1-NH2 3.05Å
228	V	91.8	Very high	87.6	Confident	9 Å²	9	63.5 Å²	63.5	6%	0.055	34%	0.337	C	S	.	.	H	α-helix	trans	-65.3	-47.8	173.1	177.5	0	0	0	0	110.6	P92 V95 Q96 L99 P223 A224 E225 K230 R231 L232	P92-V228 HydrophobicContact CB-CG1 4.18Å; V95-V228 HydrophobicContact CB-CG1 4.12Å; V95-V228 HydrophobicContact CG1-CG1 3.94Å; Q96-V228 HydrophobicContact CB-CG2 4.31Å; L99-V228 HydrophobicContact CD2-CG2 4.16Å; P223-V228 HydrophobicContact CB-CG2 4.26Å; P223-V228 HydrophobicContact CG-CG2 4.08Å; A224-V228 PolarHBondContact O-N 3.34Å; A224-V228 VanDerWaalsContact O-N 3.15Å; E225-V228 PolarHBondContact O-N 3.4Å; V228-K230 VanDerWaalsContact C-N 3.33Å; V228-K230 PolarHBondContact O-N 3.26Å; V228-R231 PolarHBondContact O-N 3.4Å; V228-L232 HydrophobicContact CG1-CD1 4.11Å; V228-L232 WeakPolarHBondContact O-CG 3.01Å; V228-L232 PolarHBondContact O-N 2.99Å; V228-L232 VanDerWaalsContact O-N 3.09Å
229	A	90.7	Very high	87.3	Confident	50 Å²	50	61.2 Å²	61.2	41%	0.413	33%	0.326	S	S	.	.	H	α-helix	trans	-61.1	-40.7	178.4	0	0	0	0	0	112.1	E225 R231 L232 T233	E225-A229 VanDerWaalsContact O-CB 3.32Å; E225-A229 WeakPolarHBondContact O-CB 3.47Å; E225-A229 PolarHBondContact O-N 3.22Å; A229-R231 PolarHBondContact O-N 2.74Å; A229-L232 PolarHBondContact O-N 3.07Å; A229-T233 VanDerWaalsContact O-CG2 3.31Å; A229-T233 WeakPolarHBondContact O-CG2 3.19Å; A229-T233 PolarHBondContact O-N 2.61Å; A229-T233 VanDerWaalsContact O-N 3.1Å; A229-T233 PolarHBondContact O-OG1 3.24Å
230	K	89.2	Confident	86.9	Confident	82 Å²	82	55.8 Å²	55.8	36%	0.357	30%	0.3	S	S	.	.	H	α-helix	trans	-56.4	-50.8	174.1	-172.7	-177	-172.9	-174.8	0	110.5	Q226 V228 L232 T233 T234 N489 E492	Q226-K230 VanDerWaalsContact O-CB 3.29Å; Q226-K230 WeakPolarHBondContact O-CB 3.49Å; Q226-K230 PolarHBondContact O-N 2.48Å; V228-K230 VanDerWaalsContact C-N 3.33Å; V228-K230 PolarHBondContact O-N 3.26Å; K230-L232 VanDerWaalsContact C-N 3.3Å; K230-L232 PolarHBondContact O-N 3.12Å; K230-T233 CarbonylContact O-C 3.6Å; K230-T233 PolarHBondContact O-N 3.33Å; K230-T233 PolarHBondContact O-OG1 3.08Å; K230-T233 VanDerWaalsContact O-OG1 3.07Å; K230-T234 HydrophobicContact CG-CG2 4.13Å; K230-T234 WeakPolarHBondContact O-CB 3.34Å; K230-T234 VanDerWaalsContact O-CG2 3.28Å; K230-T234 WeakPolarHBondContact O-CG2 3.41Å; K230-T234 PolarHBondContact O-N 3.34Å; K230-T234 PolarHBondContact O-OG1 3.01Å; K230-N489 PolarHBondContact NZ-OD1 3.43Å; K230-N489 VanDerWaalsContact NZ-OD1 3.08Å; K230-E492 WeakPolarHBondContact CE-OE2 3.33Å; K230-E492 IonicContact NZ-OE2 3.47Å; K230-E492 PolarHBondContact NZ-OE2 2.75Å
231	R	90.3	Very high	86.6	Confident	29 Å²	29	55.1 Å²	55.1	11%	0.109	29%	0.291	C	S	.	.	H	α-helix	trans	-61.2	-37.3	-179.9	-73.5	-169.3	170.3	90.2	9.3	113.5	V87 E227 V228 A229 T233 T234 E492	V87-R231 VanDerWaalsContact CG1-O 3.32Å; V87-R231 WeakPolarHBondContact CG1-O 3.24Å; V87-R231 HydrophobicContact CG2-CB 4.21Å; E227-R231 PolarHBondContact O-N 3.26Å; E227-R231 IonicContact OE1-CZ 3.86Å; E227-R231 IonicContact OE1-NH1 2.83Å; E227-R231 PolarHBondContact OE1-NH1 3.17Å; E227-R231 IonicContact OE1-NH2 2.98Å; E227-R231 PolarHBondContact OE1-NH2 3.05Å; V228-R231 PolarHBondContact O-N 3.4Å; A229-R231 PolarHBondContact O-N 2.74Å; R231-T233 VanDerWaalsContact C-N 3.28Å; R231-T233 PolarHBondContact O-N 3.24Å; R231-T234 PolarHBondContact O-OG1 3.15Å; R231-E492 IonicContact NH2-OE1 2.72Å
232	L	91	Very high	86.1	Confident	31 Å²	31	54.5 Å²	54.5	16%	0.162	29%	0.289	C	S	.	.	H	α-helix	trans	-70.9	-21.4	177.3	-70.3	171.3	0	0	0	113.7	P92 V95 V228 A229 K230 H289	P92-L232 HydrophobicContact CB-CD1 3.81Å; V95-L232 HydrophobicContact CG2-CD2 4Å; V228-L232 HydrophobicContact CG1-CD1 4.11Å; V228-L232 WeakPolarHBondContact O-CG 3.01Å; V228-L232 PolarHBondContact O-N 2.99Å; V228-L232 VanDerWaalsContact O-N 3.09Å; A229-L232 PolarHBondContact O-N 3.07Å; K230-L232 VanDerWaalsContact C-N 3.3Å; K230-L232 PolarHBondContact O-N 3.12Å; L232-H289 PolarHBondContact O-CD2 3.48Å; L232-H289 VanDerWaalsContact O-CD2 3.24Å
233	T	89.9	Confident	85.6	Confident	53 Å²	53	51.4 Å²	51.4	33%	0.325	28%	0.279	S	S	.	.	H	α-helix	trans	-107.4	-1.4	-176.9	56.8	0	0	0	0	113.3	A229 K230 R231 L290 E294	A229-T233 VanDerWaalsContact O-CG2 3.31Å; A229-T233 WeakPolarHBondContact O-CG2 3.19Å; A229-T233 PolarHBondContact O-N 2.61Å; A229-T233 VanDerWaalsContact O-N 3.1Å; A229-T233 PolarHBondContact O-OG1 3.24Å; K230-T233 CarbonylContact O-C 3.6Å; K230-T233 PolarHBondContact O-N 3.33Å; K230-T233 PolarHBondContact O-OG1 3.08Å; K230-T233 VanDerWaalsContact O-OG1 3.07Å; R231-T233 VanDerWaalsContact C-N 3.28Å; R231-T233 PolarHBondContact O-N 3.24Å; T233-L290 VanDerWaalsContact C-CD2 3.5Å; T233-E294 WeakPolarHBondContact CB-OE1 3.17Å; T233-E294 VanDerWaalsContact CG2-OE1 3.28Å; T233-E294 WeakPolarHBondContact CG2-OE1 3.28Å
234	T	89.4	Confident	84.8	Confident	48 Å²	48	58.7 Å²	58.7	29%	0.294	31%	0.309	S	S	.	.	S	Bend	trans	-110.9	151.2	175.8	57.5	0	0	0	0	111.5	K230 R231 H289	K230-T234 HydrophobicContact CG-CG2 4.13Å; K230-T234 WeakPolarHBondContact O-CB 3.34Å; K230-T234 VanDerWaalsContact O-CG2 3.28Å; K230-T234 WeakPolarHBondContact O-CG2 3.41Å; K230-T234 PolarHBondContact O-N 3.34Å; K230-T234 PolarHBondContact O-OG1 3.01Å; R231-T234 PolarHBondContact O-OG1 3.15Å; T234-H289 PolarHBondContact O-CE1 3.41Å; T234-H289 PolarHBondContact O-NE2 2.78Å
235	P	88.1	Confident	84.3	Confident	32 Å²	32	60.3 Å²	60.3	21%	0.208	31%	0.31	C	S	.	.			trans	-65.9	143.7	177.3	28.8	-34	0	0	0	110.8	V237 T285 T287 L290 I298	P235-V237 HydrophobicContact CG-CG2 4.44Å; P235-V237 PolarHBondContact O-N 2.96Å; P235-T285 HydrophobicContact CB-CG2 3.82Å; P235-T287 HydrophobicContact CB-CG2 4.1Å; P235-L290 HydrophobicContact CB-CD1 4.19Å; P235-I298 HydrophobicContact CG-CD1 4.37Å
236	I	88.9	Confident	83.9	Confident	11 Å²	11	53.6 Å²	53.6	6%	0.056	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	116.9	174.5	-61	155.7	0	0	0	107	W80 Q84 V87 T285 R286	W80-I236 HydrophobicContact CE3-CG2 4.3Å; W80-I236 HydrophobicContact CZ3-CG2 3.79Å; Q84-I236 HydrophobicContact CB-CG2 3.85Å; Q84-I236 HydrophobicContact CG-CG2 3.76Å; Q84-I236 WeakPolarHBondContact O-CD1 3.22Å; V87-I236 HydrophobicContact CB-CD1 3.9Å; V87-I236 HydrophobicContact CB-CG1 3.99Å; V87-I236 HydrophobicContact CG1-CD1 3.77Å; V87-I236 HydrophobicContact CG1-CG1 3.59Å; I236-T285 CarbonylContact O-C 3.12Å; I236-T285 WeakPolarHBondContact O-CA 3.44Å; I236-R286 HydrophobicContact CB-CB 4.06Å; I236-R286 HydrophobicContact CD1-CB 4.39Å; I236-R286 PolarHBondContact N-O 2.88Å; I236-R286 PolarHBondContact O-N 2.95Å
237	V	83.8	Confident	83.7	Confident	25 Å²	25	47.1 Å²	47.1	15%	0.152	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	130.1	178.9	-177.1	0	0	0	0	109.5	P235 I283 R284 T285 Q495	P235-V237 HydrophobicContact CG-CG2 4.44Å; P235-V237 PolarHBondContact O-N 2.96Å; V237-I283 HydrophobicContact CG1-CG2 3.85Å; V237-R284 CarbonylContact C-O 3.6Å; V237-R284 WeakPolarHBondContact CA-O 3.38Å; V237-T285 HydrophobicContact CG2-CG2 4.17Å; V237-Q495 VanDerWaalsContact CG2-NE2 3.3Å
238	N	83.3	Confident	83.6	Confident	19 Å²	19	47.2 Å²	47.2	10%	0.102	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.7	166.6	-174.3	17.5	0	0	0	109.2	H79 W80 R284	H79-N238 PolarHBondContact O-ND2 3.5Å; W80-N238 HydrophobicContact CE3-CB 3.96Å; W80-N238 HydrophobicContact CH2-CB 3.83Å; W80-N238 HydrophobicContact CZ3-CB 3.36Å; N238-R284 PolarHBondContact N-O 3.16Å; N238-R284 PolarHBondContact O-N 3.49Å
239	T	77.8	Confident	83.5	Confident	23 Å²	23	51.9 Å²	51.9	14%	0.141	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	120.1	176.9	-60.1	0	0	0	0	108.5	V281 V282 I283	T239-V281 HydrophobicContact CG2-CG1 3.85Å; T239-V282 WeakPolarHBondContact CA-O 3.34Å; T239-I283 HydrophobicContact CG2-CG1 3.97Å
240	F	74.4	Confident	83.5	Confident	51 Å²	51	53.5 Å²	53.5	22%	0.224	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	155.7	176.4	65.6	-88.8	0	0	0	111.1	D242 V282 R284	F240-D242 HydrophobicContact CE2-CB 4.49Å; F240-V282 HydrophobicContact CE1-CB 4.05Å; F240-V282 HydrophobicContact CE1-CG1 4.02Å; F240-V282 HydrophobicContact CE2-CB 4Å; F240-V282 HydrophobicContact CE2-CG2 4.27Å; F240-V282 HydrophobicContact CZ-CB 3.74Å; F240-V282 HydrophobicContact CZ-CG1 3.83Å; F240-V282 HydrophobicContact CZ-CG2 4.31Å; F240-V282 PolarHBondContact N-O 3.42Å; F240-V282 PolarHBondContact O-N 3.29Å; F240-R284 HydrophobicContact CE1-CG 4.35Å
241	L	74.6	Confident	83.4	Confident	54 Å²	54	51 Å²	51	28%	0.283	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.4	172.2	-179.8	66.6	0	0	0	108.5	T243 I246 V279 V281 F403	L241-T243 HydrophobicContact CD2-CG2 4.13Å; L241-T243 HydrophobicContact CG-CG2 4.13Å; L241-T243 PolarHBondContact O-N 3.29Å; L241-I246 HydrophobicContact CD1-CD1 4.45Å; L241-I246 HydrophobicContact CD2-CD1 4Å; L241-I246 HydrophobicContact CG-CD1 4.19Å; L241-V279 HydrophobicContact CD1-CG1 3.5Å; L241-V281 HydrophobicContact CD1-CG2 4.16Å; L241-F403 HydrophobicContact CD2-CD2 3.95Å; L241-F403 HydrophobicContact CD2-CE2 4.47Å
242	D	76.3	Confident	83.2	Confident	36 Å²	36	55.8 Å²	55.8	19%	0.193	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	103.6	173	-171.8	2.4	0	0	0	109.4	F240 K244 N280 V282	F240-D242 HydrophobicContact CE2-CB 4.49Å; D242-K244 PolarHBondContact OD1-N 3.48Å; D242-N280 HydrophobicContact CB-CB 4.15Å; D242-N280 PolarHBondContact N-O 2.86Å; D242-V282 HydrophobicContact CB-CG2 4.28Å
243	T	73.1	Confident	82.7	Confident	66 Å²	66	57.3 Å²	57.3	41%	0.405	30%	0.298	S	S	.	.			trans	-88.9	-8.2	-174.5	57.1	0	0	0	0	113.3	L241 D245 I246 L406	L241-T243 HydrophobicContact CD2-CG2 4.13Å; L241-T243 HydrophobicContact CG-CG2 4.13Å; L241-T243 PolarHBondContact O-N 3.29Å; T243-D245 VanDerWaalsContact C-N 3.34Å; T243-D245 PolarHBondContact O-N 3.25Å; T243-I246 HydrophobicContact CG2-CD1 4.18Å; T243-L406 HydrophobicContact CG2-CD1 3.78Å; T243-L406 HydrophobicContact CG2-CD2 3.8Å; T243-L406 HydrophobicContact CG2-CG 4.39Å
244	K	72.6	Confident	81.7	Confident	164 Å²	164	57.1 Å²	57.1	71%	0.713	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-36.2	-171.8	-65.5	176.2	-176	171.6	0	112.8	D242	D242-K244 PolarHBondContact OD1-N 3.48Å
245	D	77.3	Confident	80.7	Confident	92 Å²	92	62 Å²	62	49%	0.492	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	2.8	-172.7	-64.1	-32	0	0	0	113.6	T243 A247 N278	T243-D245 VanDerWaalsContact C-N 3.34Å; T243-D245 PolarHBondContact O-N 3.25Å; D245-A247 PolarHBondContact O-N 2.79Å; D245-N278 HydrophobicContact CB-CB 4.2Å; D245-N278 VanDerWaalsContact O-CB 3.24Å; D245-N278 WeakPolarHBondContact O-CB 3.4Å; D245-N278 PolarHBondContact O-ND2 2.81Å; D245-N278 VanDerWaalsContact O-ND2 3.14Å
246	I	82.1	Confident	79.2	Confident	27 Å²	27	68 Å²	68	14%	0.138	36%	0.359	C	S	.	.			trans	-63.2	121.6	-179.8	-63.4	179.3	0	0	0	109	L241 T243 F248 V276 L406	L241-I246 HydrophobicContact CD1-CD1 4.45Å; L241-I246 HydrophobicContact CD2-CD1 4Å; L241-I246 HydrophobicContact CG-CD1 4.19Å; T243-I246 HydrophobicContact CG2-CD1 4.18Å; I246-F248 HydrophobicContact CG2-CE2 4.15Å; I246-F248 HydrophobicContact CG2-CZ 4.1Å; I246-V276 HydrophobicContact CG2-CG1 3.88Å; I246-L406 HydrophobicContact CD1-CD1 4.27Å
247	A	84.5	Confident	77.9	Confident	33 Å²	33	71.2 Å²	71.2	27%	0.273	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	134.1	-179.7	0	0	0	0	0	110.7	D245 N277	D245-A247 PolarHBondContact O-N 2.79Å; A247-N277 PolarHBondContact N-O 2.8Å; A247-N277 VanDerWaalsContact N-O 3.16Å; A247-N277 PolarHBondContact O-N 2.86Å
248	F	87.2	Confident	77	Confident	57 Å²	57	80.4 Å²	80.4	25%	0.25	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	118.6	172.6	-59.7	-82.2	0	0	0	109.3	I246 S275 V276 L369 K407 P409	I246-F248 HydrophobicContact CG2-CE2 4.15Å; I246-F248 HydrophobicContact CG2-CZ 4.1Å; F248-S275 WeakPolarHBondContact CA-O 3.5Å; F248-V276 HydrophobicContact CD1-CB 4.48Å; F248-V276 HydrophobicContact CD1-CG1 4.19Å; F248-V276 HydrophobicContact CD1-CG2 3.91Å; F248-V276 HydrophobicContact CE1-CB 4.41Å; F248-V276 HydrophobicContact CE1-CG1 3.82Å; F248-V276 HydrophobicContact CE1-CG2 3.82Å; F248-V276 HydrophobicContact CZ-CG1 4.47Å; F248-L369 HydrophobicContact CD1-CD1 4.08Å; F248-L369 HydrophobicContact CE1-CD1 3.61Å; F248-K407 WeakPolarHBondContact CE2-O 3.24Å; F248-P409 HydrophobicContact CB-CG 4.04Å; F248-P409 HydrophobicContact CD1-CG 3.96Å; F248-P409 HydrophobicContact CG-CG 3.92Å
249	E	89.7	Confident	76.6	Confident	107 Å²	107	88.7 Å²	88.7	50%	0.5	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	137.7	179.7	-74.3	177.3	-151.1	0	0	110.9	C251 F274 S275 N277	E249-C251 PolarHBondContact O-N 3.32Å; E249-F274 CarbonylContact O-C 3.53Å; E249-F274 VanDerWaalsContact O-CA 3.29Å; E249-F274 WeakPolarHBondContact O-CA 3.39Å; E249-S275 PolarHBondContact N-O 2.92Å; E249-S275 PolarHBondContact O-N 2.87Å; E249-N277 PolarHBondContact OE1-ND2 2.95Å; E249-N277 VanDerWaalsContact OE1-ND2 3.07Å; E249-N277 PolarHBondContact OE2-ND2 2.87Å
250	R	90.3	Very high	76.9	Confident	84 Å²	84	92.2 Å²	92.2	32%	0.317	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	120.6	177.2	-160.7	146.5	-154.4	-141.4	4.1	110.1	D261	R250-D261 VanDerWaalsContact CD-CG 3.45Å; R250-D261 WeakPolarHBondContact CD-OD2 3.37Å; R250-D261 HydrophobicContact CG-CB 3.99Å; R250-D261 IonicContact CZ-OD2 3.29Å; R250-D261 IonicContact NE-OD2 3.76Å; R250-D261 IonicContact NH1-OD2 2.89Å; R250-D261 PolarHBondContact NH1-OD2 3.26Å
251	C	87.4	Confident	77.5	Confident	30 Å²	30	93.1 Å²	93.1	20%	0.203	49%	0.485	C	S	.	.			trans	-64.3	140	172.7	-68.2	0	0	0	0	108.8	E249 K262 V273 S275	E249-C251 PolarHBondContact O-N 3.32Å; C251-K262 HydrophobicContact CB-CB 3.96Å; C251-K262 HydrophobicContact CB-CD 4.07Å; C251-K262 WeakPolarHBondContact O-CB 3.49Å; C251-K262 PolarHBondContact O-N 3.23Å; C251-V273 HydrophobicContact CB-CB 4.09Å; C251-V273 HydrophobicContact CB-CG1 4.02Å; C251-V273 PolarHBondContact N-O 3.16Å; C251-S275 PolarHBondContact SG-N 2.92Å; C251-S275 VanDerWaalsContact SG-N 3.44Å
252	K	86.3	Confident	78.1	Confident	128 Å²	128	93.4 Å²	93.4	56%	0.557	49%	0.485	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	139.8	177.8	-60.6	-174.7	-179.9	-176.8	0	110.2	R259 T260	K252-R259 HydrophobicContact CB-CB 4.06Å; K252-R259 HydrophobicContact CB-CG 4.49Å; K252-R259 HydrophobicContact CD-CB 4.04Å; K252-T260 CarbonylContact C-O 3.51Å; K252-T260 WeakPolarHBondContact CA-O 2.92Å; K252-T260 WeakPolarHBondContact CB-O 3.21Å
253	S	78.8	Confident	78.8	Confident	63 Å²	63	94.9 Å²	94.9	44%	0.441	50%	0.495	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	148.8	175.1	-165.9	0	0	0	0	110.1	T260	S253-T260 PolarHBondContact N-O 3.08Å; S253-T260 PolarHBondContact O-N 3.01Å; S253-T260 PolarHBondContact O-OG1 2.91Å
254	G	70.6	Confident	79.6	Confident	49 Å²	49	94.7 Å²	94.7	51%	0.505	49%	0.49	S	S	.	.			trans	145	154.4	176.9	0	0	0	0	0	114.4	W258	G254-W258 WeakPolarHBondContact CA-O 3.06Å
255	I	67.6	Low	80.4	Confident	150 Å²	150	91.5 Å²	91.5	77%	0.769	49%	0.488	S	S	*	.	S	Bend	trans	-108	140.8	179.2	-61.5	169.4	0	0	0	108.1
256	L	57.6	Low	80.8	Confident	159 Å²	159	87.9 Å²	87.9	83%	0.832	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	62.4	173.1	-111.7	81.5	0	0	0	115.3	W258	L256-W258 PolarHBondContact O-N 3.35Å
257	G	61.4	Low	80.8	Confident	78 Å²	78	90.5 Å²	90.5	80%	0.804	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	-17.1	166.9	0	0	0	0	0	116.5	R259	G257-R259 PolarHBondContact O-N 3.06Å
258	W	65	Low	80.6	Confident	219 Å²	219	92.2 Å²	92.2	83%	0.83	50%	0.504	S	S	*	.			trans	-85.2	90.3	169.7	-57.5	93.8	0	0	0	109.1	G254 L256	G254-W258 WeakPolarHBondContact CA-O 3.06Å; L256-W258 PolarHBondContact O-N 3.35Å
259	R	74.8	Confident	80.6	Confident	193 Å²	193	91.5 Å²	91.5	73%	0.728	50%	0.501	S	S	*	.			trans	-99.3	113.2	177.7	-73.6	-174.7	-179.2	177.3	1.1	109.7	K252 G257	K252-R259 HydrophobicContact CB-CB 4.06Å; K252-R259 HydrophobicContact CB-CG 4.49Å; K252-R259 HydrophobicContact CD-CB 4.04Å; G257-R259 PolarHBondContact O-N 3.06Å
260	T	83.1	Confident	80.6	Confident	96 Å²	96	91.9 Å²	91.9	59%	0.589	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	157	169.5	53.1	0	0	0	0	110.2	K252 S253 K262	K252-T260 CarbonylContact C-O 3.51Å; K252-T260 WeakPolarHBondContact CA-O 2.92Å; K252-T260 WeakPolarHBondContact CB-O 3.21Å; S253-T260 PolarHBondContact N-O 3.08Å; S253-T260 PolarHBondContact O-N 3.01Å; S253-T260 PolarHBondContact O-OG1 2.91Å; T260-K262 PolarHBondContact O-N 3.19Å
261	D	86.8	Confident	80.7	Confident	70 Å²	70	87.9 Å²	87.9	37%	0.374	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	134.5	175	-69.5	-21.8	0	0	0	110.2	R250 T263	R250-D261 VanDerWaalsContact CD-CG 3.45Å; R250-D261 WeakPolarHBondContact CD-OD2 3.37Å; R250-D261 HydrophobicContact CG-CB 3.99Å; R250-D261 IonicContact CZ-OD2 3.29Å; R250-D261 IonicContact NE-OD2 3.76Å; R250-D261 IonicContact NH1-OD2 2.89Å; R250-D261 PolarHBondContact NH1-OD2 3.26Å; D261-T263 PolarHBondContact O-N 2.79Å
262	K	88.3	Confident	81	Confident	61 Å²	61	89.6 Å²	89.6	27%	0.265	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-78.8	121.1	-176.2	-168.5	179.5	-173.7	-156.1	0	109.6	C251 T260 E264 V273	C251-K262 HydrophobicContact CB-CB 3.96Å; C251-K262 HydrophobicContact CB-CD 4.07Å; C251-K262 WeakPolarHBondContact O-CB 3.49Å; C251-K262 PolarHBondContact O-N 3.23Å; T260-K262 PolarHBondContact O-N 3.19Å; K262-E264 WeakPolarHBondContact CE-OE1 3.35Å; K262-E264 IonicContact NZ-OE1 2.71Å; K262-E264 PolarHBondContact NZ-OE1 2.83Å; K262-V273 HydrophobicContact CB-CB 4.28Å; K262-V273 HydrophobicContact CB-CG2 4.41Å; K262-V273 HydrophobicContact CD-CB 4.27Å; K262-V273 HydrophobicContact CD-CG1 4.39Å; K262-V273 HydrophobicContact CD-CG2 4.26Å; K262-V273 HydrophobicContact CG-CB 4.26Å; K262-V273 HydrophobicContact CG-CG2 4Å; K262-V273 PolarHBondContact O-N 3.16Å; K262-V273 VanDerWaalsContact O-N 3.11Å
263	T	89.8	Confident	81.3	Confident	66 Å²	66	83.5 Å²	83.5	41%	0.405	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	143.3	166.6	55.6	0	0	0	0	109.1	D261 E270 A271	D261-T263 PolarHBondContact O-N 2.79Å; T263-E270 PolarHBondContact OG1-OE1 2.82Å; T263-A271 VanDerWaalsContact CA-O 3.3Å; T263-A271 WeakPolarHBondContact CA-O 3.25Å
264	E	91.3	Very high	82	Confident	63 Å²	63	81.8 Å²	81.8	29%	0.294	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	143.9	176.5	-72.2	-175.1	-177.1	0	0	109.1	K262 A271 V273 W370	K262-E264 WeakPolarHBondContact CE-OE1 3.35Å; K262-E264 IonicContact NZ-OE1 2.71Å; K262-E264 PolarHBondContact NZ-OE1 2.83Å; E264-A271 PolarHBondContact N-O 3.3Å; E264-A271 PolarHBondContact O-N 3.14Å; E264-V273 HydrophobicContact CB-CG2 4.13Å; E264-V273 HydrophobicContact CG-CG2 3.95Å; E264-W370 PolarHBondContact OE2-NE1 3.05Å
265	S	88.4	Confident	82.9	Confident	96 Å²	96	80.8 Å²	80.8	67%	0.671	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.3	171.3	-173.7	0	0	0	0	109.6	F269	S265-F269 CarbonylContact C-O 3.55Å; S265-F269 WeakPolarHBondContact CA-O 3.32Å
266	V	86	Confident	83.9	Confident	16 Å²	16	74 Å²	74	10%	0.097	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.9	177	-178.8	0	0	0	0	108	G268 F269 W370 V414 K415	V266-G268 PolarHBondContact O-N 2.82Å; V266-G268 VanDerWaalsContact O-N 3.08Å; V266-F269 PolarHBondContact N-O 2.81Å; V266-F269 PolarHBondContact O-N 3.4Å; V266-W370 HydrophobicContact CG2-CG 4.32Å; V266-V414 HydrophobicContact CB-CG2 3.98Å; V266-V414 HydrophobicContact CG1-CG2 4.32Å; V266-V414 HydrophobicContact CG2-CG2 4.44Å; V266-K415 HydrophobicContact CG1-CB 4.09Å; V266-K415 HydrophobicContact CG2-CB 4.46Å
267	N	81.9	Confident	85.2	Confident	83 Å²	83	67.5 Å²	67.5	44%	0.444	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	29.1	-179.8	-65.9	-27.9	0	0	0	114.7	F430	N267-F430 PolarHBondContact ND2-O 2.89Å
268	G	81.3	Confident	86.1	Confident	69 Å²	69	67.3 Å²	67.3	71%	0.711	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.6	-0.4	-178.6	0	0	0	0	0	114.8	V266	V266-G268 PolarHBondContact O-N 2.82Å; V266-G268 VanDerWaalsContact O-N 3.08Å
269	F	86.1	Confident	86.8	Confident	41 Å²	41	57.9 Å²	57.9	18%	0.18	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132.8	173.7	-61.6	-74.8	0	0	0	110.6	S265 V266 A271 H375 P376 V414	S265-F269 CarbonylContact C-O 3.55Å; S265-F269 WeakPolarHBondContact CA-O 3.32Å; V266-F269 PolarHBondContact N-O 2.81Å; V266-F269 PolarHBondContact O-N 3.4Å; F269-A271 PolarHBondContact O-N 3.3Å; F269-H375 AromaticContact CD2-CD2 4Å; F269-H375 AromaticContact CE2-CD2 3.78Å; F269-H375 AromaticContact CZ-CD2 3.84Å; F269-P376 HydrophobicContact CZ-CG 4.32Å; F269-V414 HydrophobicContact CB-CG1 4.32Å; F269-V414 HydrophobicContact CD2-CG1 4.37Å; F269-V414 HydrophobicContact CG-CG1 4.47Å
270	E	90.4	Very high	87	Confident	116 Å²	116	49.4 Å²	49.4	54%	0.542	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	122.3	168.3	-169.8	174.9	-174.3	0	0	109.1	T263 S372	T263-E270 PolarHBondContact OG1-OE1 2.82Å; E270-S372 WeakPolarHBondContact O-CB 3.5Å; E270-S372 PolarHBondContact O-OG 3.23Å
271	A	92.6	Very high	86.6	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	134.3	-175.8	0	0	0	0	0	111.7	T263 E264 F269 W370 M371 V414	T263-A271 VanDerWaalsContact CA-O 3.3Å; T263-A271 WeakPolarHBondContact CA-O 3.25Å; E264-A271 PolarHBondContact N-O 3.3Å; E264-A271 PolarHBondContact O-N 3.14Å; F269-A271 PolarHBondContact O-N 3.3Å; A271-W370 HydrophobicContact CB-CB 3.86Å; A271-M371 CarbonylContact C-O 3.59Å; A271-M371 WeakPolarHBondContact CA-O 3.26Å; A271-V414 HydrophobicContact CB-CG2 3.61Å
272	K	93.4	Very high	86.3	Confident	65 Å²	65	43.7 Å²	43.7	28%	0.283	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	126.5	172.1	-56.4	179.8	177.9	168	0	107.8	F274 M371 E373	K272-F274 HydrophobicContact CB-CD2 4.36Å; K272-F274 HydrophobicContact CB-CE2 3.6Å; K272-F274 HydrophobicContact CB-CZ 4.22Å; K272-F274 WeakPolarHBondContact O-CD2 3.49Å; K272-M371 PolarHBondContact N-O 3.34Å; K272-M371 PolarHBondContact O-N 3.21Å; K272-E373 IonicContact NZ-OE1 3.95Å; K272-E373 PolarHBondContact NZ-OE1 3.05Å; K272-E373 IonicContact NZ-OE2 3.67Å; K272-E373 PolarHBondContact NZ-OE2 3Å
273	V	93.2	Very high	86	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.9	-176.7	-167.3	0	0	0	0	110.5	C251 K262 E264 T368 W370	C251-V273 HydrophobicContact CB-CB 4.09Å; C251-V273 HydrophobicContact CB-CG1 4.02Å; C251-V273 PolarHBondContact N-O 3.16Å; K262-V273 HydrophobicContact CB-CB 4.28Å; K262-V273 HydrophobicContact CB-CG2 4.41Å; K262-V273 HydrophobicContact CD-CB 4.27Å; K262-V273 HydrophobicContact CD-CG1 4.39Å; K262-V273 HydrophobicContact CD-CG2 4.26Å; K262-V273 HydrophobicContact CG-CB 4.26Å; K262-V273 HydrophobicContact CG-CG2 4Å; K262-V273 PolarHBondContact O-N 3.16Å; K262-V273 VanDerWaalsContact O-N 3.11Å; E264-V273 HydrophobicContact CB-CG2 4.13Å; E264-V273 HydrophobicContact CG-CG2 3.95Å; V273-T368 HydrophobicContact CG1-CG2 3.63Å; V273-W370 HydrophobicContact CG1-CD2 4.33Å; V273-W370 HydrophobicContact CG1-CZ2 4.2Å; V273-W370 HydrophobicContact CG2-CG 4.41Å
274	F	91.5	Very high	85.8	Confident	26 Å²	26	41.7 Å²	41.7	11%	0.114	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	135.5	179.5	-66.2	-90.6	0	0	0	111	E249 K272 T368 L369 M371 P409	E249-F274 CarbonylContact O-C 3.53Å; E249-F274 VanDerWaalsContact O-CA 3.29Å; E249-F274 WeakPolarHBondContact O-CA 3.39Å; K272-F274 HydrophobicContact CB-CD2 4.36Å; K272-F274 HydrophobicContact CB-CE2 3.6Å; K272-F274 HydrophobicContact CB-CZ 4.22Å; K272-F274 WeakPolarHBondContact O-CD2 3.49Å; F274-T368 CarbonylContact O-C 3.56Å; F274-T368 WeakPolarHBondContact O-CA 3.2Å; F274-T368 WeakPolarHBondContact O-CG2 3.23Å; F274-L369 HydrophobicContact CB-CB 4.43Å; F274-L369 PolarHBondContact N-O 3.4Å; F274-L369 PolarHBondContact O-N 3.01Å; F274-M371 HydrophobicContact CD2-CB 4.19Å; F274-M371 HydrophobicContact CD2-CG 3.8Å; F274-M371 HydrophobicContact CE2-CB 4Å; F274-M371 HydrophobicContact CE2-CG 4.02Å; F274-P409 HydrophobicContact CD1-CB 4.44Å; F274-P409 HydrophobicContact CD1-CG 4.14Å; F274-P409 HydrophobicContact CD2-CB 4.2Å; F274-P409 HydrophobicContact CD2-CG 4.18Å; F274-P409 HydrophobicContact CE1-CB 4.11Å; F274-P409 HydrophobicContact CE1-CG 4.27Å; F274-P409 HydrophobicContact CE2-CB 3.83Å; F274-P409 HydrophobicContact CE2-CG 4.3Å; F274-P409 HydrophobicContact CG-CB 4.49Å; F274-P409 HydrophobicContact CG-CG 4.09Å; F274-P409 HydrophobicContact CZ-CB 3.79Å; F274-P409 HydrophobicContact CZ-CG 4.35Å
275	S	90.4	Very high	85.6	Confident	29 Å²	29	38.7 Å²	38.7	20%	0.203	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	132.1	165.5	-171.1	0	0	0	0	108.6	F248 E249 C251 N277	F248-S275 WeakPolarHBondContact CA-O 3.5Å; E249-S275 PolarHBondContact N-O 2.92Å; E249-S275 PolarHBondContact O-N 2.87Å; C251-S275 PolarHBondContact SG-N 2.92Å; C251-S275 VanDerWaalsContact SG-N 3.44Å; S275-N277 PolarHBondContact OG-OD1 2.99Å; S275-N277 VanDerWaalsContact OG-OD1 3.04Å
276	V	87.9	Confident	85.6	Confident	7 Å²	7	34.2 Å²	34.2	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	108.9	173.1	-165.1	0	0	0	0	107.7	I246 F248 V279 K366 G367 L369	I246-V276 HydrophobicContact CG2-CG1 3.88Å; F248-V276 HydrophobicContact CD1-CB 4.48Å; F248-V276 HydrophobicContact CD1-CG1 4.19Å; F248-V276 HydrophobicContact CD1-CG2 3.91Å; F248-V276 HydrophobicContact CE1-CB 4.41Å; F248-V276 HydrophobicContact CE1-CG1 3.82Å; F248-V276 HydrophobicContact CE1-CG2 3.82Å; F248-V276 HydrophobicContact CZ-CG1 4.47Å; V276-V279 HydrophobicContact CB-CG2 4.23Å; V276-V279 HydrophobicContact CG1-CG2 3.42Å; V276-V279 VanDerWaalsContact CG1-CG2 3.42Å; V276-K366 CarbonylContact O-C 3.6Å; V276-K366 VanDerWaalsContact O-CA 3.29Å; V276-K366 WeakPolarHBondContact O-CA 3.16Å; V276-G367 PolarHBondContact N-O 3.4Å; V276-G367 PolarHBondContact O-N 3.44Å; V276-L369 HydrophobicContact CG2-CB 4.38Å; V276-L369 HydrophobicContact CG2-CD1 3.43Å; V276-L369 VanDerWaalsContact CG2-CD1 3.43Å; V276-L369 HydrophobicContact CG2-CG 3.62Å
277	N	85.7	Confident	85.8	Confident	22 Å²	22	34.5 Å²	34.5	12%	0.118	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	156.4	-178.3	-64.9	-28	0	0	0	110.6	A247 E249 S275 V279	A247-N277 PolarHBondContact N-O 2.8Å; A247-N277 VanDerWaalsContact N-O 3.16Å; A247-N277 PolarHBondContact O-N 2.86Å; E249-N277 PolarHBondContact OE1-ND2 2.95Å; E249-N277 VanDerWaalsContact OE1-ND2 3.07Å; E249-N277 PolarHBondContact OE2-ND2 2.87Å; S275-N277 PolarHBondContact OG-OD1 2.99Å; S275-N277 VanDerWaalsContact OG-OD1 3.04Å; N277-V279 VanDerWaalsContact C-N 3.31Å; N277-V279 PolarHBondContact O-N 3.21Å
278	N	81.1	Confident	86	Confident	74 Å²	74	31.3 Å²	31.3	40%	0.396	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	59.7	34	174.9	-51.9	-30	0	0	0	114.6	D245 N280	D245-N278 HydrophobicContact CB-CB 4.2Å; D245-N278 VanDerWaalsContact O-CB 3.24Å; D245-N278 WeakPolarHBondContact O-CB 3.4Å; D245-N278 PolarHBondContact O-ND2 2.81Å; D245-N278 VanDerWaalsContact O-ND2 3.14Å; N278-N280 VanDerWaalsContact C-N 3.32Å; N278-N280 PolarHBondContact O-N 2.98Å
279	V	78.2	Confident	86.4	Confident	22 Å²	22	28.8 Å²	28.8	13%	0.133	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	90.3	170.1	-175.4	0	0	0	0	107.2	L241 V276 N277 F365	L241-V279 HydrophobicContact CD1-CG1 3.5Å; V276-V279 HydrophobicContact CB-CG2 4.23Å; V276-V279 HydrophobicContact CG1-CG2 3.42Å; V276-V279 VanDerWaalsContact CG1-CG2 3.42Å; N277-V279 VanDerWaalsContact C-N 3.31Å; N277-V279 PolarHBondContact O-N 3.21Å; V279-F365 HydrophobicContact CB-CB 4.18Å; V279-F365 WeakPolarHBondContact CB-O 3.33Å; V279-F365 HydrophobicContact CG1-CB 4.36Å; V279-F365 PolarHBondContact N-O 2.62Å; V279-F365 PolarHBondContact O-N 3.04Å
280	N	79.2	Confident	86.5	Confident	15 Å²	15	27.2 Å²	27.2	8%	0.08	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.3	-178.8	-58.5	-32.3	0	0	0	109	D242 N278 T362 Q363 K364	D242-N280 HydrophobicContact CB-CB 4.15Å; D242-N280 PolarHBondContact N-O 2.86Å; N278-N280 VanDerWaalsContact C-N 3.32Å; N278-N280 PolarHBondContact O-N 2.98Å; N280-T362 HydrophobicContact CB-CG2 4.08Å; N280-Q363 CarbonylContact C-O 3.55Å; N280-Q363 WeakPolarHBondContact CA-O 3.49Å; N280-K364 VanDerWaalsContact OD1-CG 3.27Å; N280-K364 WeakPolarHBondContact OD1-CG 3.43Å
281	V	75.7	Confident	86.4	Confident	35 Å²	35	25.1 Å²	25.1	21%	0.212	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	116.6	167.5	180	0	0	0	0	107.2	T239 L241 I283 T362 Q363 F365	T239-V281 HydrophobicContact CG2-CG1 3.85Å; L241-V281 HydrophobicContact CD1-CG2 4.16Å; V281-I283 HydrophobicContact CG1-CG1 4.29Å; V281-T362 WeakPolarHBondContact O-CA 3.46Å; V281-Q363 PolarHBondContact N-O 3.16Å; V281-Q363 PolarHBondContact O-N 2.66Å; V281-F365 HydrophobicContact CB-CD2 4.42Å; V281-F365 HydrophobicContact CB-CE2 3.97Å; V281-F365 HydrophobicContact CG2-CD2 3.8Å; V281-F365 HydrophobicContact CG2-CE2 3.61Å
282	V	79.9	Confident	86.2	Confident	11 Å²	11	31.3 Å²	31.3	7%	0.067	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.7	179.7	-176.1	0	0	0	0	108.1	T239 F240 D242 R284 I360 R361 T362	T239-V282 WeakPolarHBondContact CA-O 3.34Å; F240-V282 HydrophobicContact CE1-CB 4.05Å; F240-V282 HydrophobicContact CE1-CG1 4.02Å; F240-V282 HydrophobicContact CE2-CB 4Å; F240-V282 HydrophobicContact CE2-CG2 4.27Å; F240-V282 HydrophobicContact CZ-CB 3.74Å; F240-V282 HydrophobicContact CZ-CG1 3.83Å; F240-V282 HydrophobicContact CZ-CG2 4.31Å; F240-V282 PolarHBondContact N-O 3.42Å; F240-V282 PolarHBondContact O-N 3.29Å; D242-V282 HydrophobicContact CB-CG2 4.28Å; V282-R284 HydrophobicContact CG1-CG 4.12Å; V282-I360 HydrophobicContact CG1-CG2 3.82Å; V282-R361 WeakPolarHBondContact CA-O 3.47Å; V282-T362 HydrophobicContact CG2-CG2 4.25Å
283	I	82.1	Confident	85.8	Confident	33 Å²	33	36.1 Å²	36.1	17%	0.169	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	115.3	176.3	-54.7	170.9	0	0	0	107.1	V237 T239 V281 R361	V237-I283 HydrophobicContact CG1-CG2 3.85Å; T239-I283 HydrophobicContact CG2-CG1 3.97Å; V281-I283 HydrophobicContact CG1-CG1 4.29Å; I283-R361 HydrophobicContact CB-CB 4.32Å; I283-R361 PolarHBondContact N-O 3.04Å; I283-R361 PolarHBondContact O-N 3.14Å
284	R	84.9	Confident	85.5	Confident	51 Å²	51	37.4 Å²	37.4	19%	0.192	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.2	175	-65.6	-173.1	178.5	169.3	-0.3	108.6	K78 W80 V237 N238 F240 V282 L358 T359 I360	K78-R284 PolarHBondContact O-NH1 3.21Å; W80-R284 HydrophobicContact CH2-CB 3.66Å; W80-R284 HydrophobicContact CZ2-CB 3.71Å; V237-R284 CarbonylContact C-O 3.6Å; V237-R284 WeakPolarHBondContact CA-O 3.38Å; N238-R284 PolarHBondContact N-O 3.16Å; N238-R284 PolarHBondContact O-N 3.49Å; F240-R284 HydrophobicContact CE1-CG 4.35Å; V282-R284 HydrophobicContact CG1-CG 4.12Å; R284-L358 HydrophobicContact CB-CD1 3.96Å; R284-L358 HydrophobicContact CG-CD1 4.48Å; R284-T359 WeakPolarHBondContact CA-O 3.42Å; R284-I360 HydrophobicContact CG-CG1 4.27Å; R284-I360 HydrophobicContact CG-CG2 4.36Å
285	T	87.1	Confident	85.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	127.4	177.6	-54	0	0	0	0	109.7	P235 I236 V237 T287 R302 L358 T359	P235-T285 HydrophobicContact CB-CG2 3.82Å; I236-T285 CarbonylContact O-C 3.12Å; I236-T285 WeakPolarHBondContact O-CA 3.44Å; V237-T285 HydrophobicContact CG2-CG2 4.17Å; T285-T287 HydrophobicContact CG2-CG2 4.17Å; T285-R302 PolarHBondContact OG1-NH2 3.17Å; T285-L358 WeakPolarHBondContact O-CA 3.44Å; T285-T359 PolarHBondContact N-O 2.7Å; T285-T359 PolarHBondContact O-N 3.35Å
286	R	89.1	Confident	84.9	Confident	3 Å²	3	39.7 Å²	39.7	1%	0.011	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.1	173.7	-79.3	173.2	70	175.2	0.8	110.7	W80 E85 S88 I236 E288 I356 E357 L358	W80-R286 HydrophobicContact CH2-CB 4.45Å; W80-R286 HydrophobicContact CH2-CG 3.84Å; W80-R286 HydrophobicContact CZ2-CG 3.66Å; E85-R286 IonicContact OE1-NH1 3.49Å; E85-R286 PolarHBondContact OE1-NH1 2.9Å; E85-R286 IonicContact OE2-CZ 3.94Å; E85-R286 IonicContact OE2-NH1 2.86Å; E85-R286 PolarHBondContact OE2-NH1 3.31Å; E85-R286 IonicContact OE2-NH2 2.74Å; E85-R286 PolarHBondContact OE2-NH2 2.67Å; E85-R286 VanDerWaalsContact OE2-NH2 3.16Å; S88-R286 VanDerWaalsContact CB-NH2 3.27Å; S88-R286 PolarHBondContact OG-NH2 2.72Å; I236-R286 HydrophobicContact CB-CB 4.06Å; I236-R286 HydrophobicContact CD1-CB 4.39Å; I236-R286 PolarHBondContact N-O 2.88Å; I236-R286 PolarHBondContact O-N 2.95Å; R286-E288 WeakPolarHBondContact CB-OE2 3.35Å; R286-E288 IonicContact CZ-OE1 2.6Å; R286-E288 IonicContact NE-OE1 3.81Å; R286-E288 PolarHBondContact NE-OE1 3.15Å; R286-E288 IonicContact NE-OE2 2.72Å; R286-E288 IonicContact NH2-OE1 2.77Å; R286-E288 PolarHBondContact NH2-OE1 2.94Å; R286-I356 HydrophobicContact CG-CG2 4.14Å; R286-E357 VanDerWaalsContact CA-O 3.31Å; R286-E357 WeakPolarHBondContact CA-O 3.49Å; R286-L358 HydrophobicContact CG-CD1 4.03Å
287	T	89.9	Confident	84.6	Confident	22 Å²	22	45 Å²	45	14%	0.135	23%	0.232	C	C	.	.			trans	-131.5	2.7	-174.1	55.2	0	0	0	0	114.5	P235 T285 H289 L290 K295 E357	P235-T287 HydrophobicContact CB-CG2 4.1Å; T285-T287 HydrophobicContact CG2-CG2 4.17Å; T287-H289 PolarHBondContact O-N 3.43Å; T287-H289 VanDerWaalsContact O-N 3.15Å; T287-L290 HydrophobicContact CG2-CD1 4.11Å; T287-L290 WeakPolarHBondContact O-CB 3.3Å; T287-L290 PolarHBondContact O-N 3.35Å; T287-K295 WeakPolarHBondContact O-CE 3.38Å; T287-E357 PolarHBondContact N-O 3.09Å; T287-E357 PolarHBondContact OG1-OE2 3.14Å; T287-E357 VanDerWaalsContact OG1-OE2 3.04Å
288	E	87.1	Confident	84.2	Confident	15 Å²	15	45 Å²	45	7%	0.07	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.5	-172.6	63.6	-85.4	-167.4	0	0	115.3	S88 R286 R354 P355 E357	S88-E288 WeakPolarHBondContact CB-OE1 3.45Å; R286-E288 WeakPolarHBondContact CB-OE2 3.35Å; R286-E288 IonicContact CZ-OE1 2.6Å; R286-E288 IonicContact NE-OE1 3.81Å; R286-E288 PolarHBondContact NE-OE1 3.15Å; R286-E288 IonicContact NE-OE2 2.72Å; R286-E288 IonicContact NH2-OE1 2.77Å; R286-E288 PolarHBondContact NH2-OE1 2.94Å; E288-R354 HydrophobicContact CG-CB 4.49Å; E288-P355 WeakPolarHBondContact CB-O 3.36Å; E288-E357 HydrophobicContact CB-CB 4.18Å; E288-E357 HydrophobicContact CB-CG 4.22Å; E288-E357 PolarHBondContact OE2-N 3.19Å
289	H	88.2	Confident	83.8	Confident	16 Å²	16	47.7 Å²	47.7	7%	0.074	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-15.9	176.1	63.3	-63.9	0	0	0	113.1	L232 T234 T287	L232-H289 PolarHBondContact O-CD2 3.48Å; L232-H289 VanDerWaalsContact O-CD2 3.24Å; T234-H289 PolarHBondContact O-CE1 3.41Å; T234-H289 PolarHBondContact O-NE2 2.78Å; T287-H289 PolarHBondContact O-N 3.43Å; T287-H289 VanDerWaalsContact O-N 3.15Å
290	L	89.2	Confident	83.3	Confident	8 Å²	8	50.2 Å²	50.2	4%	0.042	26%	0.259	C	S	.	.	S	Bend	trans	-81.4	149.8	-177.1	-58.6	179.6	0	0	0	112	T233 P235 T287 E294 K295 I298	T233-L290 VanDerWaalsContact C-CD2 3.5Å; P235-L290 HydrophobicContact CB-CD1 4.19Å; T287-L290 HydrophobicContact CG2-CD1 4.11Å; T287-L290 WeakPolarHBondContact O-CB 3.3Å; T287-L290 PolarHBondContact O-N 3.35Å; L290-E294 HydrophobicContact CB-CB 4.34Å; L290-K295 HydrophobicContact CB-CG 3.96Å; L290-K295 VanDerWaalsContact O-CE 3.24Å; L290-K295 WeakPolarHBondContact O-CE 3.27Å; L290-I298 HydrophobicContact CD1-CD1 3.55Å
291	T	88.4	Confident	82.4	Confident	73 Å²	73	55.4 Å²	55.4	45%	0.448	28%	0.282	S	S	.	.			trans	-74.1	158.5	170.5	63.5	0	0	0	0	111.7	E293 E294 K295	T291-E293 PolarHBondContact O-N 3.35Å; T291-E294 WeakPolarHBondContact CB-OE2 3.18Å; T291-E294 PolarHBondContact N-OE2 3.49Å; T291-E294 PolarHBondContact O-N 2.89Å; T291-E294 WeakPolarHBondContact OG1-CB 3.29Å; T291-E294 WeakPolarHBondContact OG1-CG 3.47Å; T291-E294 PolarHBondContact OG1-N 2.86Å; T291-E294 PolarHBondContact OG1-OE2 2.92Å; T291-K295 WeakPolarHBondContact O-CG 3.5Å; T291-K295 PolarHBondContact O-N 3.48Å
292	D	87.1	Confident	81.7	Confident	130 Å²	130	55.6 Å²	55.6	70%	0.695	28%	0.279	S	S	*	.	H	α-helix	trans	-61.8	-32.1	177.9	-66.1	-30.8	0	0	0	112.5	A296	D292-A296 VanDerWaalsContact O-CB 3.27Å; D292-A296 WeakPolarHBondContact O-CB 3.39Å; D292-A296 PolarHBondContact O-N 3.49Å
293	E	86.8	Confident	80.3	Confident	166 Å²	166	59.3 Å²	59.3	78%	0.776	30%	0.299	S	S	*	.	H	α-helix	trans	-65.4	-44.6	174.7	-65	-179.4	-177.5	0	0	111.8	T291 A296 R297	T291-E293 PolarHBondContact O-N 3.35Å; E293-A296 PolarHBondContact O-N 3.38Å; E293-R297 PolarHBondContact O-N 3.39Å
294	E	86.7	Confident	78.5	Confident	28 Å²	28	62.8 Å²	62.8	13%	0.131	32%	0.321	C	S	.	.	H	α-helix	trans	-66.4	-43.4	176.2	-69.6	164.1	146.5	0	0	111.3	T233 L290 T291 A296 R297 I298	T233-E294 WeakPolarHBondContact CB-OE1 3.17Å; T233-E294 VanDerWaalsContact CG2-OE1 3.28Å; T233-E294 WeakPolarHBondContact CG2-OE1 3.28Å; L290-E294 HydrophobicContact CB-CB 4.34Å; T291-E294 WeakPolarHBondContact CB-OE2 3.18Å; T291-E294 PolarHBondContact N-OE2 3.49Å; T291-E294 PolarHBondContact O-N 2.89Å; T291-E294 WeakPolarHBondContact OG1-CB 3.29Å; T291-E294 WeakPolarHBondContact OG1-CG 3.47Å; T291-E294 PolarHBondContact OG1-N 2.86Å; T291-E294 PolarHBondContact OG1-OE2 2.92Å; E294-A296 VanDerWaalsContact C-N 3.3Å; E294-A296 PolarHBondContact O-N 3.15Å; E294-R297 WeakPolarHBondContact O-CB 3.44Å; E294-R297 PolarHBondContact O-N 2.89Å; E294-I298 WeakPolarHBondContact O-CB 3.38Å; E294-I298 WeakPolarHBondContact O-CD1 3.48Å; E294-I298 VanDerWaalsContact O-CG1 3.24Å; E294-I298 WeakPolarHBondContact O-CG1 3.48Å; E294-I298 PolarHBondContact O-N 3.45Å
295	K	86.1	Confident	76.2	Confident	43 Å²	43	61.6 Å²	61.6	19%	0.187	32%	0.319	C	S	.	.	H	α-helix	trans	-58.6	-43.2	173.9	-69.8	175.5	-171.2	175.1	0	111	T287 L290 T291 I298 K299 E357	T287-K295 WeakPolarHBondContact O-CE 3.38Å; L290-K295 HydrophobicContact CB-CG 3.96Å; L290-K295 VanDerWaalsContact O-CE 3.24Å; L290-K295 WeakPolarHBondContact O-CE 3.27Å; T291-K295 WeakPolarHBondContact O-CG 3.5Å; T291-K295 PolarHBondContact O-N 3.48Å; K295-I298 PolarHBondContact O-N 3.41Å; K295-K299 WeakPolarHBondContact O-CB 3.12Å; K295-K299 PolarHBondContact O-N 2.85Å; K295-E357 WeakPolarHBondContact CE-OE2 3.32Å; K295-E357 IonicContact NZ-OE1 3.6Å; K295-E357 PolarHBondContact NZ-OE1 3.37Å; K295-E357 IonicContact NZ-OE2 2.68Å; K295-E357 PolarHBondContact NZ-OE2 2.86Å
296	A	82.7	Confident	74.2	Confident	59 Å²	59	64.4 Å²	64.4	49%	0.488	33%	0.332	S	S	.	.	H	α-helix	trans	-64.4	-43.1	177.2	0	0	0	0	0	112	D292 E293 E294 K299 S300	D292-A296 VanDerWaalsContact O-CB 3.27Å; D292-A296 WeakPolarHBondContact O-CB 3.39Å; D292-A296 PolarHBondContact O-N 3.49Å; E293-A296 PolarHBondContact O-N 3.38Å; E294-A296 VanDerWaalsContact C-N 3.3Å; E294-A296 PolarHBondContact O-N 3.15Å; A296-K299 PolarHBondContact O-N 2.94Å; A296-S300 WeakPolarHBondContact O-CB 3.09Å; A296-S300 PolarHBondContact O-N 2.85Å
297	R	81.3	Confident	72.1	Confident	119 Å²	119	69.4 Å²	69.4	45%	0.449	37%	0.367	S	S	.	.	H	α-helix	trans	-57.9	-52.2	173.9	-175.4	179	68.1	-128.8	0.1	111	E293 E294 K299 S300 E301	E293-R297 PolarHBondContact O-N 3.39Å; E294-R297 WeakPolarHBondContact O-CB 3.44Å; E294-R297 PolarHBondContact O-N 2.89Å; R297-K299 VanDerWaalsContact C-N 3.33Å; R297-K299 PolarHBondContact O-N 3.44Å; R297-S300 PolarHBondContact O-N 3.38Å; R297-S300 VanDerWaalsContact O-N 3.17Å; R297-S300 PolarHBondContact O-OG 3.11Å; R297-E301 PolarHBondContact O-N 3.11Å; R297-E301 VanDerWaalsContact O-N 3.09Å
298	I	76.8	Confident	69.5	Low	23 Å²	23	73.3 Å²	73.3	12%	0.118	39%	0.387	C	S	.	.	H	α-helix	trans	-62.8	-40.1	179.8	-66.2	158.4	0	0	0	111.4	P235 L290 E294 K295 S300 E301 R302	P235-I298 HydrophobicContact CG-CD1 4.37Å; L290-I298 HydrophobicContact CD1-CD1 3.55Å; E294-I298 WeakPolarHBondContact O-CB 3.38Å; E294-I298 WeakPolarHBondContact O-CD1 3.48Å; E294-I298 VanDerWaalsContact O-CG1 3.24Å; E294-I298 WeakPolarHBondContact O-CG1 3.48Å; E294-I298 PolarHBondContact O-N 3.45Å; K295-I298 PolarHBondContact O-N 3.41Å; I298-S300 VanDerWaalsContact C-N 3.35Å; I298-E301 PolarHBondContact O-N 3.38Å; I298-R302 WeakPolarHBondContact O-CB 3.32Å; I298-R302 PolarHBondContact O-N 2.86Å
299	K	73.4	Confident	67.6	Low	130 Å²	130	74.9 Å²	74.9	57%	0.565	40%	0.395	S	S	*	.	H	α-helix	trans	-66.7	-37.3	177.1	-169.6	174.8	-177	178.5	0	111.7	K295 A296 R297 E301 R302 N303	K295-K299 WeakPolarHBondContact O-CB 3.12Å; K295-K299 PolarHBondContact O-N 2.85Å; A296-K299 PolarHBondContact O-N 2.94Å; R297-K299 VanDerWaalsContact C-N 3.33Å; R297-K299 PolarHBondContact O-N 3.44Å; K299-E301 VanDerWaalsContact C-N 3.32Å; K299-R302 PolarHBondContact O-N 3.17Å; K299-N303 WeakPolarHBondContact O-CB 3.29Å; K299-N303 PolarHBondContact O-N 2.91Å; K299-N303 PolarHBondContact O-ND2 3.45Å; K299-N303 PolarHBondContact O-OD1 3.4Å
300	S	67.1	Low	65.6	Low	75 Å²	75	78 Å²	78	52%	0.524	43%	0.432	S	S	.	.	H	α-helix	trans	-65.2	-36.4	175.6	75.8	0	0	0	0	112.4	A296 R297 I298	A296-S300 WeakPolarHBondContact O-CB 3.09Å; A296-S300 PolarHBondContact O-N 2.85Å; R297-S300 PolarHBondContact O-N 3.38Å; R297-S300 VanDerWaalsContact O-N 3.17Å; R297-S300 PolarHBondContact O-OG 3.11Å; I298-S300 VanDerWaalsContact C-N 3.35Å
301	E	61.9	Low	63.9	Low	123 Å²	123	79.5 Å²	79.5	58%	0.575	44%	0.441	S	S	*	.	H	α-helix	trans	-68.8	-37	172.7	-69	171	-172.3	0	0	111.5	R297 I298 K299 L305	R297-E301 PolarHBondContact O-N 3.11Å; R297-E301 VanDerWaalsContact O-N 3.09Å; I298-E301 PolarHBondContact O-N 3.38Å; K299-E301 VanDerWaalsContact C-N 3.32Å; E301-L305 WeakPolarHBondContact O-CD1 3.09Å
302	R	60.4	Low	62.2	Low	40 Å²	40	81.5 Å²	81.5	15%	0.151	45%	0.453	C	S	.	.	H	α-helix	trans	-76.6	-37.4	-179.4	-88.4	-178.7	159.6	172.7	-6.8	115.6	T285 I298 K299 V304 L305 E306	T285-R302 PolarHBondContact OG1-NH2 3.17Å; I298-R302 WeakPolarHBondContact O-CB 3.32Å; I298-R302 PolarHBondContact O-N 2.86Å; K299-R302 PolarHBondContact O-N 3.17Å; R302-V304 PolarHBondContact O-N 3.4Å; R302-L305 WeakPolarHBondContact O-CB 3.14Å; R302-L305 PolarHBondContact O-N 3.44Å; R302-E306 PolarHBondContact O-N 3.37Å
303	N	49.5	Very low	60.8	Low	89 Å²	89	78.1 Å²	78.1	48%	0.476	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.1	-173.9	-76.9	-12.6	0	0	0	113.6	K299 L305	K299-N303 WeakPolarHBondContact O-CB 3.29Å; K299-N303 PolarHBondContact O-N 2.91Å; K299-N303 PolarHBondContact O-ND2 3.45Å; K299-N303 PolarHBondContact O-OD1 3.4Å; N303-L305 PolarHBondContact O-N 2.9Å
304	V	44.1	Very low	59.5	Low	106 Å²	106	75.8 Å²	75.8	64%	0.642	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-16	175.3	-178.7	0	0	0	0	112	R302	R302-V304 PolarHBondContact O-N 3.4Å
305	L	37.7	Very low	58.4	Low	26 Å²	26	80.1 Å²	80.1	14%	0.136	44%	0.442	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-15.9	-162.5	-60.1	159.8	0	0	0	113.6	E301 R302 N303 L503	E301-L305 WeakPolarHBondContact O-CD1 3.09Å; R302-L305 WeakPolarHBondContact O-CB 3.14Å; R302-L305 PolarHBondContact O-N 3.44Å; N303-L305 PolarHBondContact O-N 2.9Å; L305-L503 HydrophobicContact CB-CD2 3.8Å; L305-L503 HydrophobicContact CD1-CB 4.31Å; L305-L503 HydrophobicContact CD1-CD1 3.22Å; L305-L503 HydrophobicContact CD1-CD2 3.34Å; L305-L503 HydrophobicContact CD1-CG 3.66Å; L305-L503 HydrophobicContact CD2-CB 3.57Å; L305-L503 HydrophobicContact CD2-CD1 4.11Å; L305-L503 HydrophobicContact CD2-CD2 3.71Å; L305-L503 HydrophobicContact CD2-CG 3.88Å; L305-L503 HydrophobicContact CG-CB 4.44Å; L305-L503 HydrophobicContact CG-CD1 4.2Å; L305-L503 HydrophobicContact CG-CD2 3.73Å; L305-L503 HydrophobicContact CG-CG 4.22Å
306	E	45.9	Very low	57.5	Low	59 Å²	59	81.2 Å²	81.2	28%	0.276	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-83.3	-19.2	-175.6	-75.1	174.8	-173.4	0	0	113.7	R302 L308 R361	R302-E306 PolarHBondContact O-N 3.37Å; E306-L308 PolarHBondContact O-N 3.49Å; E306-R361 IonicContact OE1-CZ 2.99Å; E306-R361 IonicContact OE1-NH1 2.8Å; E306-R361 IonicContact OE1-NH2 2.86Å; E306-R361 PolarHBondContact OE1-NH2 3.32Å
307	S	43.1	Very low	56.4	Low	108 Å²	108	83.2 Å²	83.2	76%	0.755	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-68.2	-7	-171.7	-172	0	0	0	0	115.2
308	L	37	Very low	55	Low	103 Å²	103	78.8 Å²	78.8	54%	0.539	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-138.6	-1.4	-164.3	-100.3	136.9	0	0	0	115.9	E306 Q506	E306-L308 PolarHBondContact O-N 3.49Å; L308-Q506 VanDerWaalsContact CD1-CD 3.45Å; L308-Q506 HydrophobicContact CD1-CG 3.87Å; L308-Q506 VanDerWaalsContact CD2-NE2 3.28Å
309	L	45.4	Very low	54	Low	49 Å²	49	82.6 Å²	82.6	26%	0.257	47%	0.466	S	S	.	.	S	Bend	trans	-93.2	-4.5	-176.4	-78	167.3	0	0	0	114.9	T311 F421	L309-T311 HydrophobicContact CB-CG2 3.97Å; L309-T311 PolarHBondContact O-N 2.97Å; L309-F421 HydrophobicContact CD2-CD1 4.38Å; L309-F421 HydrophobicContact CD2-CE1 3.32Å; L309-F421 HydrophobicContact CD2-CZ 3.79Å
310	G	47	Very low	52.9	Low	81 Å²	81	79.4 Å²	79.4	84%	0.835	47%	0.47	S	S	*	.			trans	52.9	27.1	177	0	0	0	0	0	113.8
311	T	54.2	Low	51.4	Low	40 Å²	40	83.7 Å²	83.7	25%	0.245	49%	0.487	C	S	.	.			trans	-78.4	136.1	-175.2	42.9	0	0	0	0	110.6	L309 E313	L309-T311 HydrophobicContact CB-CG2 3.97Å; L309-T311 PolarHBondContact O-N 2.97Å; T311-E313 PolarHBondContact O-N 3.35Å
312	V	51.5	Low	50.6	Low	115 Å²	115	84.9 Å²	84.9	70%	0.697	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	107.8	168.3	-179.4	0	0	0	0	107.4
313	E	57.9	Low	49.8	Very low	59 Å²	59	89.5 Å²	89.5	28%	0.276	53%	0.529	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.1	172.7	-59	-157.5	145.4	0	0	110.3	T311 H315 R361	T311-E313 PolarHBondContact O-N 3.35Å; E313-H315 IonicContact OE2-CD2 3.74Å; E313-H315 IonicContact OE2-CE1 3.07Å; E313-H315 IonicContact OE2-NE2 2.64Å; E313-H315 PolarHBondContact OE2-NE2 3.05Å; E313-R361 HydrophobicContact CG-CG 4.34Å; E313-R361 IonicContact OE1-CZ 3.75Å; E313-R361 IonicContact OE1-NE 2.9Å; E313-R361 PolarHBondContact OE1-NE 3.05Å; E313-R361 IonicContact OE1-NH2 3.3Å; E313-R361 PolarHBondContact OE1-NH2 3.11Å
314	Q	60.3	Low	50	Low	116 Å²	116	89.7 Å²	89.7	54%	0.542	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	110.1	167	-169.3	175.7	0.2	0	0	108.2	I316 I360	Q314-I316 HydrophobicContact CG-CG1 4.23Å; Q314-I360 PolarHBondContact N-O 2.84Å; Q314-I360 PolarHBondContact O-N 2.78Å
315	H	63.6	Low	50.1	Low	120 Å²	120	93.4 Å²	93.4	56%	0.556	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.8	121.5	172.3	-71.6	-80.6	0	0	0	109.1	E313 T359	E313-H315 IonicContact OE2-CD2 3.74Å; E313-H315 IonicContact OE2-CE1 3.07Å; E313-H315 IonicContact OE2-NE2 2.64Å; E313-H315 PolarHBondContact OE2-NE2 3.05Å; H315-T359 WeakPolarHBondContact CE1-CG2 3.3Å; H315-T359 PolarHBondContact CE1-OG1 3.32Å; H315-T359 PolarHBondContact ND1-OG1 3.45Å
316	I	65.9	Low	50.9	Low	65 Å²	65	101 Å²	101	33%	0.333	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.2	101	175.2	-57.3	173.1	0	0	0	106.2	Q314 L358 I360	Q314-I316 HydrophobicContact CG-CG1 4.23Å; I316-L358 WeakPolarHBondContact CA-O 3.29Å; I316-L358 HydrophobicContact CB-CB 4.37Å; I316-L358 HydrophobicContact CD1-CD2 4.39Å; I316-L358 PolarHBondContact N-O 3.41Å; I316-L358 PolarHBondContact O-N 3.38Å; I316-I360 HydrophobicContact CD1-CD1 4.13Å
317	S	61.2	Low	51.6	Low	101 Å²	101	100.5 Å²	100.5	71%	0.706	57%	0.574	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.3	127.2	171.9	60.4	0	0	0	0	109.8	Q319	S317-Q319 PolarHBondContact O-N 3.42Å
318	A	51.7	Low	52.5	Low	27 Å²	27	99 Å²	99	22%	0.223	56%	0.561	C	S	.	*			trans	-74.4	108.7	170.6	0	0	0	0	0	111.8	P355 I356	A318-P355 HydrophobicContact CB-CB 3.59Å; A318-I356 WeakPolarHBondContact CB-O 3.46Å; A318-I356 PolarHBondContact N-O 3.18Å; A318-I356 VanDerWaalsContact N-O 3.16Å
319	Q	56	Low	53.8	Low	102 Å²	102	98.7 Å²	98.7	48%	0.477	57%	0.573	S	S	.	*			trans	44.2	131.9	151.8	-71.4	168.4	-5.9	0	0	122.1	S317	S317-Q319 PolarHBondContact O-N 3.42Å
320	G	48.7	Very low	54.8	Low	63 Å²	63	98.7 Å²	98.7	65%	0.649	58%	0.575	S	S	*	*			trans	-71.6	158.5	168	0	0	0	0	0	114.3	L322	G320-L322 PolarHBondContact O-N 3.04Å
321	N	37.1	Very low	56.3	Low	166 Å²	166	95.7 Å²	95.7	89%	0.888	54%	0.54	S	S	*	.			trans	-37	93.9	-177.3	-79.7	-28.1	0	0	0	115
322	L	44.7	Very low	57.2	Low	147 Å²	147	95.6 Å²	95.6	77%	0.77	54%	0.54	S	S	*	.			trans	-124.6	79.2	162.1	-84.5	153.4	0	0	0	108.1	G320 L324	G320-L322 PolarHBondContact O-N 3.04Å; L322-L324 PolarHBondContact O-N 3.4Å; L322-L324 VanDerWaalsContact O-N 3.09Å
323	T	43.8	Very low	58.2	Low	137 Å²	137	91.1 Å²	91.1	84%	0.84	51%	0.513	S	S	*	.			trans	-68.6	100.2	169.6	36.3	0	0	0	0	109.6
324	L	54.3	Low	59.4	Low	94 Å²	94	89.2 Å²	89.2	49%	0.492	51%	0.508	S	S	.	.			trans	-82.5	145.2	168.6	-76.8	155.5	0	0	0	110.1	L322 Y326 A327 A334	L322-L324 PolarHBondContact O-N 3.4Å; L322-L324 VanDerWaalsContact O-N 3.09Å; L324-Y326 PolarHBondContact O-N 2.61Å; L324-A327 WeakPolarHBondContact O-CB 3.42Å; L324-A327 PolarHBondContact O-N 3.13Å; L324-A334 HydrophobicContact CB-CB 4.26Å; L324-A334 HydrophobicContact CD1-CB 4.42Å
325	E	45.5	Very low	60.7	Low	183 Å²	183	83.9 Å²	83.9	86%	0.855	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-14.3	-176.6	-82.2	-177.7	148.1	0	0	115.3
326	Y	53.9	Low	61.8	Low	187 Å²	187	80.7 Å²	80.7	73%	0.733	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.8	13.8	-177	-58.9	-81.4	0	0	0	114	L324 T328	L324-Y326 PolarHBondContact O-N 2.61Å; Y326-T328 PolarHBondContact O-N 3.18Å
327	A	59.8	Low	62.9	Low	47 Å²	47	79.6 Å²	79.6	39%	0.388	47%	0.469	S	S	.	.			trans	-68.9	128.3	179.4	0	0	0	0	0	111.6	L324 P332	L324-A327 WeakPolarHBondContact O-CB 3.42Å; L324-A327 PolarHBondContact O-N 3.13Å; A327-P332 VanDerWaalsContact CB-O 3.23Å; A327-P332 WeakPolarHBondContact CB-O 3.14Å
328	T	63.4	Low	64.2	Low	77 Å²	77	77.8 Å²	77.8	47%	0.472	45%	0.449	S	S	.	.	B	Isolated β-bridge	trans	-107.9	162.9	170	64.6	0	0	0	0	110.2	Y326 T330 N331 P332	Y326-T328 PolarHBondContact O-N 3.18Å; T328-T330 PolarHBondContact O-N 3.47Å; T328-N331 PolarHBondContact N-O 3.41Å; T328-N331 VanDerWaalsContact N-O 3.08Å; T328-N331 CarbonylContact O-C 3.57Å; T328-N331 PolarHBondContact O-N 3.37Å; T328-N331 WeakPolarHBondContact OG1-CB 3.43Å; T328-N331 PolarHBondContact OG1-N 2.94Å; T328-P332 WeakPolarHBondContact O-CA 3.39Å; T328-P332 VanDerWaalsContact O-N 3.15Å
329	A	63.1	Low	66	Low	97 Å²	97	78.8 Å²	78.8	80%	0.802	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-23.8	177.8	0	0	0	0	0	113.5
330	T	68	Low	67.7	Low	48 Å²	48	73.9 Å²	73.9	29%	0.294	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-2.6	-178.3	56.5	0	0	0	0	113.1	L56 T328 G353	L56-T330 WeakPolarHBondContact O-CB 3.19Å; L56-T330 WeakPolarHBondContact O-CG2 3.35Å; T328-T330 PolarHBondContact O-N 3.47Å; T330-G353 WeakPolarHBondContact O-CA 3.35Å; T330-G353 PolarHBondContact O-N 3.3Å
331	N	77.1	Confident	69.7	Low	19 Å²	19	71.3 Å²	71.3	10%	0.102	40%	0.397	C	S	.	.	B	Isolated β-bridge	trans	-144.8	70.8	170.9	-176.2	8.3	0	0	0	109.1	T328 T333 A334 I335	T328-N331 PolarHBondContact N-O 3.41Å; T328-N331 VanDerWaalsContact N-O 3.08Å; T328-N331 CarbonylContact O-C 3.57Å; T328-N331 PolarHBondContact O-N 3.37Å; T328-N331 WeakPolarHBondContact OG1-CB 3.43Å; T328-N331 PolarHBondContact OG1-N 2.94Å; N331-T333 PolarHBondContact O-N 3.16Å; N331-A334 PolarHBondContact O-N 3.11Å; N331-A334 VanDerWaalsContact O-N 3.16Å; N331-A334 PolarHBondContact OD1-N 3.33Å; N331-I335 PolarHBondContact ND2-N 2.76Å; N331-I335 VanDerWaalsContact ND2-N 3.18Å; N331-I335 PolarHBondContact ND2-O 3.09Å; N331-I335 PolarHBondContact OD1-N 3.22Å
332	P	72.8	Confident	72.2	Confident	37 Å²	37	66.4 Å²	66.4	24%	0.24	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.5	-173.1	27.1	-34.8	0	0	0	112.5	A327 T328 G353 P355	A327-P332 VanDerWaalsContact CB-O 3.23Å; A327-P332 WeakPolarHBondContact CB-O 3.14Å; T328-P332 WeakPolarHBondContact O-CA 3.39Å; T328-P332 VanDerWaalsContact O-N 3.15Å; P332-G353 WeakPolarHBondContact CD-O 3.46Å; P332-G353 WeakPolarHBondContact CG-O 3.39Å; P332-P355 HydrophobicContact CG-CG 4.16Å
333	T	73.8	Confident	74.3	Confident	21 Å²	21	63.5 Å²	63.5	13%	0.129	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	8	179.8	62.2	0	0	0	0	113.1	N331 I335 R350 D351	N331-T333 PolarHBondContact O-N 3.16Å; T333-I335 VanDerWaalsContact C-N 3.28Å; T333-I335 PolarHBondContact O-N 3.05Å; T333-I335 WeakPolarHBondContact OG1-CD1 3.42Å; T333-I335 WeakPolarHBondContact OG1-CG1 3.49Å; T333-R350 HydrophobicContact CG2-CB 4.16Å; T333-R350 HydrophobicContact CG2-CG 4.06Å; T333-R350 PolarHBondContact O-NE 2.61Å; T333-R350 PolarHBondContact O-NH2 3.15Å; T333-D351 PolarHBondContact OG1-O 2.99Å
334	A	82.4	Confident	76.4	Confident	20 Å²	20	64.1 Å²	64.1	17%	0.165	36%	0.359	C	S	.	.			trans	50.9	40.4	176.8	0	0	0	0	0	114.4	L324 N331 T336	L324-A334 HydrophobicContact CB-CB 4.26Å; L324-A334 HydrophobicContact CD1-CB 4.42Å; N331-A334 PolarHBondContact O-N 3.11Å; N331-A334 VanDerWaalsContact O-N 3.16Å; N331-A334 PolarHBondContact OD1-N 3.33Å; A334-T336 PolarHBondContact O-N 3.16Å
335	I	87	Confident	78.1	Confident	3 Å²	3	63 Å²	63	2%	0.015	35%	0.351	C	S	.	.			trans	-65.2	128.1	176.4	-61.8	165.1	0	0	0	109.4	N331 T333 E339 Y340 L347 R350 I352	N331-I335 PolarHBondContact ND2-N 2.76Å; N331-I335 VanDerWaalsContact ND2-N 3.18Å; N331-I335 PolarHBondContact ND2-O 3.09Å; N331-I335 PolarHBondContact OD1-N 3.22Å; T333-I335 VanDerWaalsContact C-N 3.28Å; T333-I335 PolarHBondContact O-N 3.05Å; T333-I335 WeakPolarHBondContact OG1-CD1 3.42Å; T333-I335 WeakPolarHBondContact OG1-CG1 3.49Å; I335-E339 HydrophobicContact CG2-CB 3.99Å; I335-Y340 HydrophobicContact CG2-CD2 4.38Å; I335-L347 HydrophobicContact CD1-CD1 4.39Å; I335-L347 HydrophobicContact CD1-CD2 4.19Å; I335-L347 HydrophobicContact CG1-CD2 4.16Å; I335-L347 HydrophobicContact CG2-CD2 3.94Å; I335-R350 HydrophobicContact CD1-CB 4.17Å; I335-I352 HydrophobicContact CD1-CG2 4.21Å
336	T	88.4	Confident	80	Confident	53 Å²	53	61 Å²	61	33%	0.325	35%	0.345	S	S	.	.			trans	-82.6	158.4	176.2	84.7	0	0	0	0	111.3	A334 E338 E339 Y340	A334-T336 PolarHBondContact O-N 3.16Å; T336-E338 VanDerWaalsContact CB-OE2 3.24Å; T336-E338 WeakPolarHBondContact CB-OE2 3.45Å; T336-E338 PolarHBondContact O-N 3.34Å; T336-E338 PolarHBondContact OG1-N 3.25Å; T336-E338 PolarHBondContact OG1-OE2 3.29Å; T336-E339 PolarHBondContact N-OE2 3.01Å; T336-E339 PolarHBondContact O-N 3.09Å; T336-E339 VanDerWaalsContact O-N 3.13Å; T336-E339 PolarHBondContact OG1-N 2.68Å; T336-Y340 WeakPolarHBondContact O-CB 3.4Å; T336-Y340 PolarHBondContact O-N 2.89Å
337	P	87.6	Confident	81.4	Confident	43 Å²	43	52.9 Å²	52.9	28%	0.279	32%	0.315	S	S	.	.	H	α-helix	trans	-55.3	-36.9	174.4	-15.8	22.4	0	0	0	112.6	Y340 F341	P337-Y340 PolarHBondContact O-N 3.16Å; P337-F341 HydrophobicContact CB-CD2 4.32Å; P337-F341 WeakPolarHBondContact O-CB 3.3Å; P337-F341 VanDerWaalsContact O-CD2 3.27Å; P337-F341 WeakPolarHBondContact O-CD2 3.35Å; P337-F341 PolarHBondContact O-N 2.97Å
338	E	88.4	Confident	82.5	Confident	62 Å²	62	53.2 Å²	53.2	29%	0.29	32%	0.322	S	S	.	.	H	α-helix	trans	-68.5	-35.4	179.8	-55.4	77	-166.4	0	0	112.2	I6 T336 N342	I6-E338 HydrophobicContact CB-CG 4.45Å; I6-E338 HydrophobicContact CG2-CB 4.26Å; I6-E338 HydrophobicContact CG2-CG 3.78Å; T336-E338 VanDerWaalsContact CB-OE2 3.24Å; T336-E338 WeakPolarHBondContact CB-OE2 3.45Å; T336-E338 PolarHBondContact O-N 3.34Å; T336-E338 PolarHBondContact OG1-N 3.25Å; T336-E338 PolarHBondContact OG1-OE2 3.29Å; E338-N342 WeakPolarHBondContact O-CB 3.1Å; E338-N342 PolarHBondContact O-N 2.98Å
339	E	90.1	Very high	83.2	Confident	48 Å²	48	55.4 Å²	55.4	22%	0.224	33%	0.331	C	S	.	.	H	α-helix	trans	-71.3	-42.3	172	-66.5	-178.5	163.4	0	0	111.3	R45 I335 T336 F345 L347 R350	R45-E339 PolarHBondContact NH2-O 2.68Å; I335-E339 HydrophobicContact CG2-CB 3.99Å; T336-E339 PolarHBondContact N-OE2 3.01Å; T336-E339 PolarHBondContact O-N 3.09Å; T336-E339 VanDerWaalsContact O-N 3.13Å; T336-E339 PolarHBondContact OG1-N 2.68Å; E339-F345 HydrophobicContact CB-CD1 4Å; E339-F345 HydrophobicContact CB-CE1 3.89Å; E339-F345 HydrophobicContact CB-CZ 4.34Å; E339-F345 HydrophobicContact CG-CD1 4.34Å; E339-F345 HydrophobicContact CG-CE1 3.87Å; E339-F345 HydrophobicContact CG-CE2 4.25Å; E339-F345 HydrophobicContact CG-CZ 3.81Å; E339-L347 HydrophobicContact CB-CD2 4.39Å; E339-R350 IonicContact OE2-CZ 3.07Å; E339-R350 IonicContact OE2-NH1 2.68Å; E339-R350 PolarHBondContact OE2-NH1 3.09Å; E339-R350 IonicContact OE2-NH2 3.19Å; E339-R350 PolarHBondContact OE2-NH2 3.15Å
340	Y	90.9	Very high	84.1	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-67	-49.3	-175.8	-174.6	-93.8	0	0	0	112.5	W21 D43 R45 R47 L52 I335 T336 P337 N342 I352	W21-Y340 HydrophobicContact CE3-CD1 4.12Å; W21-Y340 HydrophobicContact CE3-CE1 4.47Å; W21-Y340 HydrophobicContact CE3-CG 4.29Å; W21-Y340 HydrophobicContact CH2-CD2 4.05Å; W21-Y340 AromaticContact CH2-CG 3.91Å; W21-Y340 HydrophobicContact CH2-CG 3.91Å; W21-Y340 AromaticContact CZ3-CD1 3.75Å; W21-Y340 HydrophobicContact CZ3-CD1 3.75Å; W21-Y340 AromaticContact CZ3-CD2 3.69Å; W21-Y340 HydrophobicContact CZ3-CD2 3.69Å; W21-Y340 HydrophobicContact CZ3-CE1 4.18Å; W21-Y340 HydrophobicContact CZ3-CE2 4.11Å; W21-Y340 AromaticContact CZ3-CG 3.5Å; W21-Y340 HydrophobicContact CZ3-CG 3.5Å; W21-Y340 VanDerWaalsContact CZ3-CG 3.5Å; D43-Y340 WeakPolarHBondContact OD2-CE1 3.47Å; D43-Y340 VanDerWaalsContact OD2-CZ 3.3Å; D43-Y340 PolarHBondContact OD2-OH 2.76Å; R45-Y340 HydrophobicContact CG-CD2 4.31Å; R45-Y340 HydrophobicContact CG-CE1 4.23Å; R45-Y340 HydrophobicContact CG-CE2 3.8Å; R45-Y340 PolarHBondContact NE-O 2.95Å; R45-Y340 PolarHBondContact NH2-O 3Å; R47-Y340 PolarHBondContact NH1-OH 3.44Å; L52-Y340 HydrophobicContact CD1-CE1 4.3Å; I335-Y340 HydrophobicContact CG2-CD2 4.38Å; T336-Y340 WeakPolarHBondContact O-CB 3.4Å; T336-Y340 PolarHBondContact O-N 2.89Å; P337-Y340 PolarHBondContact O-N 3.16Å; Y340-N342 VanDerWaalsContact C-N 3.33Å; Y340-I352 HydrophobicContact CD2-CG2 4.11Å; Y340-I352 HydrophobicContact CE2-CD1 3.85Å; Y340-I352 HydrophobicContact CE2-CG1 4.1Å; Y340-I352 HydrophobicContact CE2-CG2 4.15Å
341	F	91.8	Very high	84.9	Confident	9 Å²	9	52.5 Å²	52.5	4%	0.039	30%	0.296	C	S	.	.	S	Bend	trans	-86.5	0.8	-175.3	-69.7	-71.1	0	0	0	114	I10 F14 H17 W21 D43 P44 L52 P337 P343	I10-F341 HydrophobicContact CD1-CB 4.06Å; I10-F341 HydrophobicContact CD1-CD2 4.43Å; I10-F341 HydrophobicContact CG1-CB 3.99Å; I10-F341 HydrophobicContact CG2-CB 3.93Å; I10-F341 HydrophobicContact CG2-CD1 4.28Å; I10-F341 HydrophobicContact CG2-CD2 3.54Å; I10-F341 HydrophobicContact CG2-CE2 4.11Å; I10-F341 HydrophobicContact CG2-CG 3.65Å; F14-F341 HydrophobicContact CB-CD1 4.3Å; F14-F341 HydrophobicContact CB-CE1 4.22Å; F14-F341 AromaticContact CD2-CD1 3.95Å; F14-F341 HydrophobicContact CD2-CD1 3.95Å; F14-F341 HydrophobicContact CG-CD1 4.2Å; F14-F341 HydrophobicContact CG-CE1 4.5Å; H17-F341 HydrophobicContact CB-CE1 3.59Å; H17-F341 HydrophobicContact CB-CZ 3.79Å; W21-F341 HydrophobicContact CB-CE2 4.32Å; W21-F341 HydrophobicContact CD2-CE2 4.29Å; W21-F341 HydrophobicContact CE3-CE2 4.2Å; W21-F341 HydrophobicContact CE3-CZ 4.46Å; W21-F341 HydrophobicContact CG-CE2 4.34Å; D43-F341 HydrophobicContact CB-CE1 4.28Å; P44-F341 WeakPolarHBondContact CG-O 3.39Å; L52-F341 HydrophobicContact CD2-CZ 4.36Å; P337-F341 HydrophobicContact CB-CD2 4.32Å; P337-F341 WeakPolarHBondContact O-CB 3.3Å; P337-F341 VanDerWaalsContact O-CD2 3.27Å; P337-F341 WeakPolarHBondContact O-CD2 3.35Å; P337-F341 PolarHBondContact O-N 2.97Å; F341-P343 WeakPolarHBondContact O-CD 3.43Å
342	N	90.2	Very high	85.4	Confident	62 Å²	62	51.8 Å²	51.8	33%	0.332	29%	0.292	S	S	.	.			trans	-86.4	111.5	173.5	-177.4	-2.8	0	0	0	110.5	R45 E338 Y340 D344 F345	R45-N342 PolarHBondContact NH2-O 2.82Å; E338-N342 WeakPolarHBondContact O-CB 3.1Å; E338-N342 PolarHBondContact O-N 2.98Å; Y340-N342 VanDerWaalsContact C-N 3.33Å; N342-D344 PolarHBondContact O-N 3.27Å; N342-D344 PolarHBondContact OD1-N 2.81Å; N342-F345 HydrophobicContact CB-CB 3.8Å; N342-F345 PolarHBondContact O-N 3.32Å
343	P	87.3	Confident	85.9	Confident	87 Å²	87	50.4 Å²	50.4	57%	0.565	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.7	-179.6	27.1	-34.9	0	0	0	113	P44 F341 F345	P44-P343 HydrophobicContact CB-CB 4.19Å; F341-P343 WeakPolarHBondContact O-CD 3.43Å; P343-F345 VanDerWaalsContact C-N 3.35Å
344	D	88.8	Confident	86.3	Confident	150 Å²	150	54.9 Å²	54.9	80%	0.802	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-7.2	-177.9	-57.5	-43.9	0	0	0	112.6	N342	N342-D344 PolarHBondContact O-N 3.27Å; N342-D344 PolarHBondContact OD1-N 2.81Å
345	F	88.9	Confident	86.3	Confident	71 Å²	71	57.2 Å²	57.2	31%	0.311	31%	0.312	S	S	.	.			trans	-86.8	119.6	177.2	-166.2	-89	0	0	0	110.4	R45 E339 N342 P343 L347	R45-F345 PolarHBondContact NH1-O 3.19Å; R45-F345 PolarHBondContact NH2-O 2.69Å; E339-F345 HydrophobicContact CB-CD1 4Å; E339-F345 HydrophobicContact CB-CE1 3.89Å; E339-F345 HydrophobicContact CB-CZ 4.34Å; E339-F345 HydrophobicContact CG-CD1 4.34Å; E339-F345 HydrophobicContact CG-CE1 3.87Å; E339-F345 HydrophobicContact CG-CE2 4.25Å; E339-F345 HydrophobicContact CG-CZ 3.81Å; N342-F345 HydrophobicContact CB-CB 3.8Å; N342-F345 PolarHBondContact O-N 3.32Å; P343-F345 VanDerWaalsContact C-N 3.35Å; F345-L347 HydrophobicContact CD1-CD2 3.88Å; F345-L347 HydrophobicContact CD1-CG 4.31Å; F345-L347 HydrophobicContact CE1-CD2 3.9Å
346	D	86.2	Confident	86.2	Confident	139 Å²	139	58.3 Å²	58.3	74%	0.743	32%	0.318	S	S	*	.			trans	-83.8	116.7	176	-174.3	10.3	0	0	0	110.6	G348	D346-G348 VanDerWaalsContact C-N 3.32Å; D346-G348 PolarHBondContact OD1-N 2.93Å
347	L	83.6	Confident	86.1	Confident	18 Å²	18	59 Å²	59	9%	0.094	32%	0.318	C	S	.	.			trans	-83.8	-8.3	177.9	-68.8	170.6	0	0	0	112.4	I335 E339 F345 D349 R350	I335-L347 HydrophobicContact CD1-CD1 4.39Å; I335-L347 HydrophobicContact CD1-CD2 4.19Å; I335-L347 HydrophobicContact CG1-CD2 4.16Å; I335-L347 HydrophobicContact CG2-CD2 3.94Å; E339-L347 HydrophobicContact CB-CD2 4.39Å; F345-L347 HydrophobicContact CD1-CD2 3.88Å; F345-L347 HydrophobicContact CD1-CG 4.31Å; F345-L347 HydrophobicContact CE1-CD2 3.9Å; L347-D349 PolarHBondContact O-N 3.29Å; L347-R350 HydrophobicContact CB-CB 4.5Å; L347-R350 VanDerWaalsContact O-CB 3.32Å; L347-R350 WeakPolarHBondContact O-CB 3.31Å; L347-R350 PolarHBondContact O-N 3.4Å
348	G	83.8	Confident	86.1	Confident	53 Å²	53	58.2 Å²	58.2	55%	0.546	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-129	-171	0	0	0	0	0	110.9	D346 R350	D346-G348 VanDerWaalsContact C-N 3.32Å; D346-G348 PolarHBondContact OD1-N 2.93Å; G348-R350 VanDerWaalsContact C-N 3.32Å
349	D	76.9	Confident	86	Confident	123 Å²	123	55.9 Å²	55.9	66%	0.658	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	3	177.8	-53.4	-45.3	0	0	0	113.9	L347	L347-D349 PolarHBondContact O-N 3.29Å
350	R	82.3	Confident	85.8	Confident	62 Å²	62	54.9 Å²	54.9	23%	0.234	30%	0.297	C	S	.	.			trans	-76.8	138.7	178	-63.6	166.5	63.1	-155.5	0.8	110.2	T333 I335 E339 L347 G348	T333-R350 HydrophobicContact CG2-CB 4.16Å; T333-R350 HydrophobicContact CG2-CG 4.06Å; T333-R350 PolarHBondContact O-NE 2.61Å; T333-R350 PolarHBondContact O-NH2 3.15Å; I335-R350 HydrophobicContact CD1-CB 4.17Å; E339-R350 IonicContact OE2-CZ 3.07Å; E339-R350 IonicContact OE2-NH1 2.68Å; E339-R350 PolarHBondContact OE2-NH1 3.09Å; E339-R350 IonicContact OE2-NH2 3.19Å; E339-R350 PolarHBondContact OE2-NH2 3.15Å; L347-R350 HydrophobicContact CB-CB 4.5Å; L347-R350 VanDerWaalsContact O-CB 3.32Å; L347-R350 WeakPolarHBondContact O-CB 3.31Å; L347-R350 PolarHBondContact O-N 3.4Å; G348-R350 VanDerWaalsContact C-N 3.32Å
351	D	85.3	Confident	85.3	Confident	22 Å²	22	56.6 Å²	56.6	12%	0.118	30%	0.303	C	S	.	.			trans	-145.4	166.7	171.3	-151.5	-13.3	0	0	0	110.2	R47 K78 T333	R47-D351 IonicContact CZ-OD1 2.7Å; R47-D351 IonicContact CZ-OD2 2.94Å; R47-D351 IonicContact NH1-OD1 3.76Å; R47-D351 PolarHBondContact NH1-OD1 3.3Å; R47-D351 IonicContact NH1-OD2 3.54Å; R47-D351 IonicContact NH2-OD1 3.83Å; R47-D351 PolarHBondContact NH2-OD1 3.18Å; R47-D351 IonicContact NH2-OD2 2.69Å; R47-D351 PolarHBondContact NH2-OD2 3.34Å; K78-D351 IonicContact NZ-OD2 3.86Å; K78-D351 PolarHBondContact NZ-OD2 2.84Å; T333-D351 PolarHBondContact OG1-O 2.99Å
352	I	86.5	Confident	84.8	Confident	4 Å²	4	58.4 Å²	58.4	2%	0.021	32%	0.315	C	S	.	.	S	Bend	trans	-78.9	162.2	168.1	57.8	168	0	0	0	110.5	W21 L52 L56 I335 Y340	W21-I352 HydrophobicContact CH2-CG2 3.73Å; W21-I352 HydrophobicContact CZ3-CD1 4.48Å; W21-I352 HydrophobicContact CZ3-CG2 3.87Å; L52-I352 HydrophobicContact CD1-CD1 3.27Å; L56-I352 HydrophobicContact CD2-CB 4.31Å; L56-I352 HydrophobicContact CD2-CD1 4.13Å; L56-I352 HydrophobicContact CG-CD1 4.3Å; I335-I352 HydrophobicContact CD1-CG2 4.21Å; Y340-I352 HydrophobicContact CD2-CG2 4.11Å; Y340-I352 HydrophobicContact CE2-CD1 3.85Å; Y340-I352 HydrophobicContact CE2-CG1 4.1Å; Y340-I352 HydrophobicContact CE2-CG2 4.15Å
353	G	83.6	Confident	84	Confident	8 Å²	8	57 Å²	57	8%	0.082	31%	0.307	C	S	.	.	S	Bend	trans	78	-164.7	-174.5	0	0	0	0	0	112.3	S55 T330 P332	S55-G353 WeakPolarHBondContact O-CA 3.48Å; T330-G353 WeakPolarHBondContact O-CA 3.35Å; T330-G353 PolarHBondContact O-N 3.3Å; P332-G353 WeakPolarHBondContact CD-O 3.46Å; P332-G353 WeakPolarHBondContact CG-O 3.39Å
354	R	81.6	Confident	83.5	Confident	115 Å²	115	60.3 Å²	60.3	43%	0.434	31%	0.312	S	S	.	.	S	Bend	trans	-66.5	144	178.2	-65.1	-168.7	-174.3	-155	3.8	110.7	S88 T89 E288 I356	S88-R354 WeakPolarHBondContact O-CD 3.39Å; T89-R354 VanDerWaalsContact O-CZ 3.22Å; T89-R354 PolarHBondContact O-NE 3.36Å; T89-R354 PolarHBondContact O-NH2 3.08Å; E288-R354 HydrophobicContact CG-CB 4.49Å; R354-I356 PolarHBondContact O-N 3.11Å
355	P	82.9	Confident	82.8	Confident	69 Å²	69	55 Å²	55	45%	0.448	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-57.1	127.6	174.1	-22.4	34.2	0	0	0	110.6	E288 A318 P332	E288-P355 WeakPolarHBondContact CB-O 3.36Å; A318-P355 HydrophobicContact CB-CB 3.59Å; P332-P355 HydrophobicContact CG-CG 4.16Å
356	I	84.8	Confident	82.5	Confident	27 Å²	27	58.4 Å²	58.4	14%	0.138	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-80.6	127.5	-172.4	-59.5	173.8	0	0	0	109.9	R286 A318 R354 L358	R286-I356 HydrophobicContact CG-CG2 4.14Å; A318-I356 WeakPolarHBondContact CB-O 3.46Å; A318-I356 PolarHBondContact N-O 3.18Å; A318-I356 VanDerWaalsContact N-O 3.16Å; R354-I356 PolarHBondContact O-N 3.11Å; I356-L358 HydrophobicContact CG2-CB 4.01Å
357	E	87.7	Confident	82.6	Confident	68 Å²	68	52.2 Å²	52.2	32%	0.318	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	102.1	169.5	-70.5	179.9	-172.4	0	0	108.3	R286 T287 E288 K295	R286-E357 VanDerWaalsContact CA-O 3.31Å; R286-E357 WeakPolarHBondContact CA-O 3.49Å; T287-E357 PolarHBondContact N-O 3.09Å; T287-E357 PolarHBondContact OG1-OE2 3.14Å; T287-E357 VanDerWaalsContact OG1-OE2 3.04Å; E288-E357 HydrophobicContact CB-CB 4.18Å; E288-E357 HydrophobicContact CB-CG 4.22Å; E288-E357 PolarHBondContact OE2-N 3.19Å; K295-E357 WeakPolarHBondContact CE-OE2 3.32Å; K295-E357 IonicContact NZ-OE1 3.6Å; K295-E357 PolarHBondContact NZ-OE1 3.37Å; K295-E357 IonicContact NZ-OE2 2.68Å; K295-E357 PolarHBondContact NZ-OE2 2.86Å
358	L	87.5	Confident	82.9	Confident	25 Å²	25	53.2 Å²	53.2	13%	0.131	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.5	-171.4	174.5	62.6	0	0	0	111.6	W80 R284 T285 R286 I316 I356 I360	W80-L358 HydrophobicContact CZ2-CD1 3.89Å; R284-L358 HydrophobicContact CB-CD1 3.96Å; R284-L358 HydrophobicContact CG-CD1 4.48Å; T285-L358 WeakPolarHBondContact O-CA 3.44Å; R286-L358 HydrophobicContact CG-CD1 4.03Å; I316-L358 WeakPolarHBondContact CA-O 3.29Å; I316-L358 HydrophobicContact CB-CB 4.37Å; I316-L358 HydrophobicContact CD1-CD2 4.39Å; I316-L358 PolarHBondContact N-O 3.41Å; I316-L358 PolarHBondContact O-N 3.38Å; I356-L358 HydrophobicContact CG2-CB 4.01Å; L358-I360 HydrophobicContact CD1-CG1 4.17Å; L358-I360 HydrophobicContact CD2-CD1 3.93Å; L358-I360 HydrophobicContact CD2-CG1 3.95Å; L358-I360 HydrophobicContact CG-CD1 4.36Å; L358-I360 HydrophobicContact CG-CG1 3.83Å
359	T	85.8	Confident	83.2	Confident	13 Å²	13	50.9 Å²	50.9	8%	0.08	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	124.5	165.4	-53.1	0	0	0	0	109.3	R284 T285 H315 R361	R284-T359 WeakPolarHBondContact CA-O 3.42Å; T285-T359 PolarHBondContact N-O 2.7Å; T285-T359 PolarHBondContact O-N 3.35Å; H315-T359 WeakPolarHBondContact CE1-CG2 3.3Å; H315-T359 PolarHBondContact CE1-OG1 3.32Å; H315-T359 PolarHBondContact ND1-OG1 3.45Å; T359-R361 HydrophobicContact CG2-CG 4.4Å
360	I	85.2	Confident	84	Confident	28 Å²	28	45.5 Å²	45.5	14%	0.144	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	125.2	173.4	-50.8	-177.9	0	0	0	108.8	V282 R284 Q314 I316 L358	V282-I360 HydrophobicContact CG1-CG2 3.82Å; R284-I360 HydrophobicContact CG-CG1 4.27Å; R284-I360 HydrophobicContact CG-CG2 4.36Å; Q314-I360 PolarHBondContact N-O 2.84Å; Q314-I360 PolarHBondContact O-N 2.78Å; I316-I360 HydrophobicContact CD1-CD1 4.13Å; L358-I360 HydrophobicContact CD1-CG1 4.17Å; L358-I360 HydrophobicContact CD2-CD1 3.93Å; L358-I360 HydrophobicContact CD2-CG1 3.95Å; L358-I360 HydrophobicContact CG-CD1 4.36Å; L358-I360 HydrophobicContact CG-CG1 3.83Å
361	R	81.1	Confident	84.5	Confident	35 Å²	35	42.6 Å²	42.6	13%	0.132	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128	171	-63.2	-177.6	175.9	166.6	4.6	108.8	V282 I283 E306 E313 T359	V282-R361 WeakPolarHBondContact CA-O 3.47Å; I283-R361 HydrophobicContact CB-CB 4.32Å; I283-R361 PolarHBondContact N-O 3.04Å; I283-R361 PolarHBondContact O-N 3.14Å; E306-R361 IonicContact OE1-CZ 2.99Å; E306-R361 IonicContact OE1-NH1 2.8Å; E306-R361 IonicContact OE1-NH2 2.86Å; E306-R361 PolarHBondContact OE1-NH2 3.32Å; E313-R361 HydrophobicContact CG-CG 4.34Å; E313-R361 IonicContact OE1-CZ 3.75Å; E313-R361 IonicContact OE1-NE 2.9Å; E313-R361 PolarHBondContact OE1-NE 3.05Å; E313-R361 IonicContact OE1-NH2 3.3Å; E313-R361 PolarHBondContact OE1-NH2 3.11Å; T359-R361 HydrophobicContact CG2-CG 4.4Å
362	T	80.6	Confident	84.8	Confident	47 Å²	47	41.6 Å²	41.6	29%	0.288	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	117.6	176	-59.4	0	0	0	0	109	N280 V281 V282	N280-T362 HydrophobicContact CB-CG2 4.08Å; V281-T362 WeakPolarHBondContact O-CA 3.46Å; V282-T362 HydrophobicContact CG2-CG2 4.25Å
363	Q	74	Confident	84.9	Confident	32 Å²	32	46.6 Å²	46.6	15%	0.15	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	124.4	174.4	-166.5	171.5	4.9	0	0	109.4	N280 V281 F365	N280-Q363 CarbonylContact C-O 3.55Å; N280-Q363 WeakPolarHBondContact CA-O 3.49Å; V281-Q363 PolarHBondContact N-O 3.16Å; V281-Q363 PolarHBondContact O-N 2.66Å; Q363-F365 HydrophobicContact CB-CE2 3.77Å; Q363-F365 HydrophobicContact CB-CZ 4.18Å; Q363-F365 HydrophobicContact CG-CD2 4.24Å; Q363-F365 HydrophobicContact CG-CE1 4.13Å; Q363-F365 HydrophobicContact CG-CE2 3.5Å; Q363-F365 VanDerWaalsContact CG-CE2 3.5Å; Q363-F365 HydrophobicContact CG-CZ 3.47Å; Q363-F365 VanDerWaalsContact CG-CZ 3.47Å
364	K	76.6	Confident	85	Confident	157 Å²	157	53.4 Å²	53.4	68%	0.683	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	124	-179.8	-54.8	-161.8	173.6	179	0	109.6	N280	N280-K364 VanDerWaalsContact OD1-CG 3.27Å; N280-K364 WeakPolarHBondContact OD1-CG 3.43Å
365	F	75.3	Confident	85.1	Confident	39 Å²	39	48.7 Å²	48.7	17%	0.171	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	152.5	174.4	-60.3	-87	0	0	0	110.3	V279 V281 Q363	V279-F365 HydrophobicContact CB-CB 4.18Å; V279-F365 WeakPolarHBondContact CB-O 3.33Å; V279-F365 HydrophobicContact CG1-CB 4.36Å; V279-F365 PolarHBondContact N-O 2.62Å; V279-F365 PolarHBondContact O-N 3.04Å; V281-F365 HydrophobicContact CB-CD2 4.42Å; V281-F365 HydrophobicContact CB-CE2 3.97Å; V281-F365 HydrophobicContact CG2-CD2 3.8Å; V281-F365 HydrophobicContact CG2-CE2 3.61Å; Q363-F365 HydrophobicContact CB-CE2 3.77Å; Q363-F365 HydrophobicContact CB-CZ 4.18Å; Q363-F365 HydrophobicContact CG-CD2 4.24Å; Q363-F365 HydrophobicContact CG-CE1 4.13Å; Q363-F365 HydrophobicContact CG-CE2 3.5Å; Q363-F365 VanDerWaalsContact CG-CE2 3.5Å; Q363-F365 HydrophobicContact CG-CZ 3.47Å; Q363-F365 VanDerWaalsContact CG-CZ 3.47Å
366	K	82.3	Confident	85.1	Confident	143 Å²	143	48.7 Å²	48.7	62%	0.622	24%	0.238	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-124.6	119	169.5	-68	-174.2	179.6	-177.2	0	107.9	V276 P419	V276-K366 CarbonylContact O-C 3.6Å; V276-K366 VanDerWaalsContact O-CA 3.29Å; V276-K366 WeakPolarHBondContact O-CA 3.16Å; K366-P419 WeakPolarHBondContact O-CD 3.41Å; K366-P419 WeakPolarHBondContact O-CG 3.29Å
367	G	86.9	Confident	85	Confident	9 Å²	9	47.7 Å²	47.7	9%	0.093	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	167.6	177.7	0	0	0	0	0	111.9	V276 E417	V276-G367 PolarHBondContact N-O 3.4Å; V276-G367 PolarHBondContact O-N 3.44Å; G367-E417 CarbonylContact C-O 3.54Å; G367-E417 WeakPolarHBondContact CA-O 3.45Å
368	T	90.1	Very high	84.9	Confident	39 Å²	39	46.3 Å²	46.3	24%	0.239	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135.3	163.4	-49.8	0	0	0	0	109.4	V273 F274 W370 E417	V273-T368 HydrophobicContact CG1-CG2 3.63Å; F274-T368 CarbonylContact O-C 3.56Å; F274-T368 WeakPolarHBondContact O-CA 3.2Å; F274-T368 WeakPolarHBondContact O-CG2 3.23Å; T368-W370 VanDerWaalsContact CB-CZ3 3.49Å; T368-W370 HydrophobicContact CG2-CD2 4.44Å; T368-W370 HydrophobicContact CG2-CE3 3.99Å; T368-W370 HydrophobicContact CG2-CH2 3.32Å; T368-W370 HydrophobicContact CG2-CZ2 3.81Å; T368-W370 HydrophobicContact CG2-CZ3 3.43Å; T368-W370 VanDerWaalsContact CG2-CZ3 3.43Å; T368-W370 WeakPolarHBondContact O-CZ3 3.29Å; T368-E417 PolarHBondContact N-O 2.88Å; T368-E417 PolarHBondContact O-N 2.6Å
369	L	91.4	Very high	84.6	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.021	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	140.3	179.7	-72.2	172.6	0	0	0	110.3	F248 F274 V276 M371 F408 I416	F248-L369 HydrophobicContact CD1-CD1 4.08Å; F248-L369 HydrophobicContact CE1-CD1 3.61Å; F274-L369 HydrophobicContact CB-CB 4.43Å; F274-L369 PolarHBondContact N-O 3.4Å; F274-L369 PolarHBondContact O-N 3.01Å; V276-L369 HydrophobicContact CG2-CB 4.38Å; V276-L369 HydrophobicContact CG2-CD1 3.43Å; V276-L369 VanDerWaalsContact CG2-CD1 3.43Å; V276-L369 HydrophobicContact CG2-CG 3.62Å; L369-M371 HydrophobicContact CB-SD 4.36Å; L369-F408 HydrophobicContact CD1-CD1 4.31Å; L369-F408 HydrophobicContact CD1-CE1 3.85Å; L369-F408 HydrophobicContact CD2-CE1 4.46Å; L369-I416 HydrophobicContact CD2-CB 4.13Å; L369-I416 HydrophobicContact CD2-CD1 4.24Å; L369-I416 HydrophobicContact CD2-CG1 3.7Å; L369-I416 HydrophobicContact CD2-CG2 3.84Å
370	W	93.1	Very high	84.4	Confident	9 Å²	9	50.6 Å²	50.6	3%	0.034	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	112.1	172.8	-71.9	-109.8	0	0	0	108	E264 V266 A271 V273 T368 P413 V414 K415 E417	E264-W370 PolarHBondContact OE2-NE1 3.05Å; V266-W370 HydrophobicContact CG2-CG 4.32Å; A271-W370 HydrophobicContact CB-CB 3.86Å; V273-W370 HydrophobicContact CG1-CD2 4.33Å; V273-W370 HydrophobicContact CG1-CZ2 4.2Å; V273-W370 HydrophobicContact CG2-CG 4.41Å; T368-W370 VanDerWaalsContact CB-CZ3 3.49Å; T368-W370 HydrophobicContact CG2-CD2 4.44Å; T368-W370 HydrophobicContact CG2-CE3 3.99Å; T368-W370 HydrophobicContact CG2-CH2 3.32Å; T368-W370 HydrophobicContact CG2-CZ2 3.81Å; T368-W370 HydrophobicContact CG2-CZ3 3.43Å; T368-W370 VanDerWaalsContact CG2-CZ3 3.43Å; T368-W370 WeakPolarHBondContact O-CZ3 3.29Å; W370-P413 CarbonylContact O-C 3.59Å; W370-P413 WeakPolarHBondContact O-CA 3.25Å; W370-V414 HydrophobicContact CB-CG2 3.93Å; W370-V414 WeakPolarHBondContact O-CG2 3.43Å; W370-V414 PolarHBondContact O-N 3.07Å; W370-K415 HydrophobicContact CB-CB 3.92Å; W370-K415 HydrophobicContact CD2-CB 4.03Å; W370-K415 HydrophobicContact CD2-CD 3.81Å; W370-K415 HydrophobicContact CD2-CG 3.99Å; W370-K415 HydrophobicContact CE3-CB 3.91Å; W370-K415 HydrophobicContact CE3-CD 3.78Å; W370-K415 HydrophobicContact CE3-CG 3.6Å; W370-K415 HydrophobicContact CG-CB 4.05Å; W370-K415 HydrophobicContact CG-CD 4.39Å; W370-K415 HydrophobicContact CH2-CD 4.14Å; W370-K415 VanDerWaalsContact CH2-NZ 3.29Å; W370-K415 HydrophobicContact CZ2-CD 4.16Å; W370-K415 VanDerWaalsContact CZ2-NZ 3.32Å; W370-K415 HydrophobicContact CZ3-CD 3.94Å; W370-K415 HydrophobicContact CZ3-CG 3.94Å; W370-K415 PolarHBondContact N-O 2.89Å; W370-E417 HydrophobicContact CH2-CB 3.92Å; W370-E417 WeakPolarHBondContact CH2-OE2 3.48Å; W370-E417 HydrophobicContact CZ3-CB 3.57Å
371	M	92	Very high	84.3	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.4	-174.4	-56.3	-60.5	-66.8	0	0	110.1	A271 K272 F274 L369 F408 P409 G411 F412 P413	A271-M371 CarbonylContact C-O 3.59Å; A271-M371 WeakPolarHBondContact CA-O 3.26Å; K272-M371 PolarHBondContact N-O 3.34Å; K272-M371 PolarHBondContact O-N 3.21Å; F274-M371 HydrophobicContact CD2-CB 4.19Å; F274-M371 HydrophobicContact CD2-CG 3.8Å; F274-M371 HydrophobicContact CE2-CB 4Å; F274-M371 HydrophobicContact CE2-CG 4.02Å; L369-M371 HydrophobicContact CB-SD 4.36Å; M371-F408 HydrophobicContact CE-CD1 4.04Å; M371-F408 HydrophobicContact SD-CD1 4.38Å; M371-P409 VanDerWaalsContact CE-O 3.29Å; M371-P409 WeakPolarHBondContact CE-O 3.38Å; M371-P409 HydrophobicContact CG-CB 4.15Å; M371-P409 HydrophobicContact CG-CG 4.36Å; M371-G411 VanDerWaalsContact CE-O 3.23Å; M371-G411 WeakPolarHBondContact CE-O 3.41Å; M371-F412 WeakPolarHBondContact CA-O 2.92Å; M371-P413 HydrophobicContact CE-CB 4.39Å; M371-P413 HydrophobicContact SD-CB 3.77Å
372	S	92.1	Very high	84.5	Confident	2 Å²	2	54.6 Å²	54.6	1%	0.014	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	125.8	176.5	-170.9	0	0	0	0	110.8	E270 E374 G411 F412	E270-S372 WeakPolarHBondContact O-CB 3.5Å; E270-S372 PolarHBondContact O-OG 3.23Å; S372-E374 VanDerWaalsContact C-N 3.34Å; S372-G411 CarbonylContact O-C 3.55Å; S372-G411 VanDerWaalsContact O-CA 3.26Å; S372-G411 WeakPolarHBondContact O-CA 3.31Å; S372-F412 PolarHBondContact N-O 2.72Å; S372-F412 PolarHBondContact O-N 3.2Å
373	E	88.6	Confident	84.7	Confident	108 Å²	108	53.5 Å²	53.5	51%	0.505	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-18.9	177.2	-72.3	168	-158.9	0	0	112.3	K272 H375 P410	K272-E373 IonicContact NZ-OE1 3.95Å; K272-E373 PolarHBondContact NZ-OE1 3.05Å; K272-E373 IonicContact NZ-OE2 3.67Å; K272-E373 PolarHBondContact NZ-OE2 3Å; E373-H375 VanDerWaalsContact C-N 3.31Å; E373-P410 HydrophobicContact CG-CB 4.37Å; E373-P410 WeakPolarHBondContact OE1-CG 3.24Å
374	E	85	Confident	85.3	Confident	151 Å²	151	52.9 Å²	52.9	71%	0.706	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	3.8	-178.7	-59.2	-177.5	172.5	0	0	112.7	S372	S372-E374 VanDerWaalsContact C-N 3.34Å
375	H	83.6	Confident	85.8	Confident	16 Å²	16	46 Å²	46	7%	0.074	24%	0.239	C	C	.	.			trans	-68.5	134.5	-179	-167.6	-96.7	0	0	0	110.6	F269 E373 L377 F412	F269-H375 AromaticContact CD2-CD2 4Å; F269-H375 AromaticContact CE2-CD2 3.78Å; F269-H375 AromaticContact CZ-CD2 3.84Å; E373-H375 VanDerWaalsContact C-N 3.31Å; H375-L377 PolarHBondContact ND1-N 3.43Å; H375-L377 PolarHBondContact ND1-O 2.91Å; H375-L377 PolarHBondContact O-N 2.98Å; H375-L377 VanDerWaalsContact O-N 3.16Å; H375-F412 HydrophobicContact CB-CB 3.55Å; H375-F412 HydrophobicContact CB-CD1 4.49Å; H375-F412 HydrophobicContact CB-CG 4.24Å; H375-F412 AromaticContact CD2-CD1 3.94Å; H375-F412 AromaticContact CE1-CD1 3.35Å; H375-F412 WeakPolarHBondContact CE1-CD1 3.35Å; H375-F412 AromaticContact CE1-CE1 3.49Å; H375-F412 VanDerWaalsContact CE1-CE1 3.49Å; H375-F412 WeakPolarHBondContact CE1-CE1 3.43Å; H375-F412 AromaticContact CE1-CG 3.73Å; H375-F412 AromaticContact CE1-CZ 3.98Å; H375-F412 AromaticContact CG-CD1 3.69Å; H375-F412 AromaticContact CG-CG 3.76Å; H375-F412 AromaticContact ND1-CD1 3.32Å; H375-F412 VanDerWaalsContact ND1-CD1 3.32Å; H375-F412 WeakPolarHBondContact ND1-CD1 3.47Å; H375-F412 AromaticContact ND1-CD2 3.79Å; H375-F412 AromaticContact ND1-CE1 3.92Å; H375-F412 AromaticContact ND1-CG 3.25Å; H375-F412 WeakPolarHBondContact ND1-CG 3.21Å; H375-F412 AromaticContact NE2-CD1 3.75Å; H375-F412 AromaticContact NE2-CE1 3.94Å
376	P	83.1	Confident	86.3	Confident	70 Å²	70	44.9 Å²	44.9	46%	0.455	24%	0.235	S	C	.	.	S	Bend	trans	-69.4	-13.5	-175	28	-37.2	0	0	0	113.9	F269 V433	F269-P376 HydrophobicContact CZ-CG 4.32Å; P376-V433 HydrophobicContact CG-CB 4.17Å; P376-V433 HydrophobicContact CG-CG1 3.67Å
377	L	84.2	Confident	86.5	Confident	5 Å²	5	38.6 Å²	38.6	3%	0.026	21%	0.208	C	C	.	.			trans	-102.4	137.1	176.6	-52.6	179.3	0	0	0	112.4	F127 M129 H375 Q382 F412 V433	F127-L377 HydrophobicContact CB-CD1 4.45Å; F127-L377 HydrophobicContact CB-CD2 3.44Å; F127-L377 VanDerWaalsContact CB-CD2 3.44Å; F127-L377 HydrophobicContact CD1-CD2 4.41Å; F127-L377 HydrophobicContact CD2-CD1 3.96Å; F127-L377 HydrophobicContact CD2-CD2 4.4Å; F127-L377 HydrophobicContact CE2-CD1 4.5Å; F127-L377 HydrophobicContact CG-CD1 4.22Å; F127-L377 HydrophobicContact CG-CD2 3.86Å; M129-L377 HydrophobicContact CB-CD1 4.26Å; M129-L377 HydrophobicContact CE-CD1 4.01Å; M129-L377 HydrophobicContact SD-CD1 4.17Å; H375-L377 PolarHBondContact ND1-N 3.43Å; H375-L377 PolarHBondContact ND1-O 2.91Å; H375-L377 PolarHBondContact O-N 2.98Å; H375-L377 VanDerWaalsContact O-N 3.16Å; L377-Q382 VanDerWaalsContact CD2-OE1 3.31Å; L377-F412 HydrophobicContact CB-CD2 4.15Å; L377-F412 HydrophobicContact CB-CE2 4.03Å; L377-F412 VanDerWaalsContact O-CD2 3.3Å; L377-F412 WeakPolarHBondContact O-CD2 3.35Å; L377-V433 HydrophobicContact CD1-CG1 3.8Å; L377-V433 HydrophobicContact CD1-CG2 4.26Å; L377-V433 HydrophobicContact CD2-CG1 3.97Å; L377-V433 HydrophobicContact CG-CG1 3.71Å
378	S	84.4	Confident	86.5	Confident	40 Å²	40	40.1 Å²	40.1	28%	0.28	21%	0.214	S	C	.	.			trans	-95.2	119.2	169.5	175.8	0	0	0	0	109.7	V380 E381 Q382	S378-V380 PolarHBondContact O-N 3.43Å; S378-E381 PolarHBondContact OG-N 3.34Å; S378-Q382 WeakPolarHBondContact O-CB 3.35Å; S378-Q382 PolarHBondContact O-N 3.07Å
379	L	81.9	Confident	86.1	Confident	22 Å²	22	39.6 Å²	39.6	12%	0.115	21%	0.21	C	C	.	.	I	π-helix	trans	-57.3	-43.3	176.7	-174.3	68.3	0	0	0	110.6	V383 T384 V404 F412 P413	L379-V383 HydrophobicContact CD1-CB 4.05Å; L379-V383 HydrophobicContact CD1-CG1 4.19Å; L379-V383 HydrophobicContact CD1-CG2 4.37Å; L379-V383 WeakPolarHBondContact O-CB 3.44Å; L379-V383 PolarHBondContact O-N 3.17Å; L379-T384 PolarHBondContact O-N 3.47Å; L379-T384 PolarHBondContact O-OG1 2.9Å; L379-T384 VanDerWaalsContact O-OG1 3.08Å; L379-V404 HydrophobicContact CD1-CG1 4.29Å; L379-V404 HydrophobicContact CD2-CG1 3.7Å; L379-V404 HydrophobicContact CG-CG1 3.77Å; L379-F412 HydrophobicContact CB-CD2 4.08Å; L379-F412 HydrophobicContact CB-CE2 4.39Å; L379-F412 HydrophobicContact CD1-CE2 4.24Å; L379-P413 HydrophobicContact CD2-CG 4.41Å
380	V	81.4	Confident	85.5	Confident	105 Å²	105	42.1 Å²	42.1	64%	0.636	22%	0.222	S	C	*	.	I	π-helix	trans	-73.7	-42.4	-175.1	-178.2	0	0	0	0	112.3	S378 T384	S378-V380 PolarHBondContact O-N 3.43Å; V380-T384 WeakPolarHBondContact CA-OG1 3.29Å; V380-T384 WeakPolarHBondContact O-CB 3.47Å
381	E	83.7	Confident	84.9	Confident	135 Å²	135	42.1 Å²	42.1	63%	0.631	22%	0.224	S	C	*	.	I	π-helix	trans	-86.1	-35.3	-173	-63.3	177.8	165.5	0	0	112.9	S378	S378-E381 PolarHBondContact OG-N 3.34Å
382	Q	84.3	Confident	84.1	Confident	12 Å²	12	45.3 Å²	45.3	6%	0.056	24%	0.236	C	C	.	.	I	π-helix	trans	-103.8	-39.1	-173.1	-71	170.7	-51.3	0	0	113.5	P125 F127 L377 S378 I386	P125-Q382 HydrophobicContact CG-CG 4.43Å; P125-Q382 PolarHBondContact O-NE2 3.34Å; F127-Q382 HydrophobicContact CD1-CB 4.28Å; F127-Q382 HydrophobicContact CE1-CB 4.21Å; L377-Q382 VanDerWaalsContact CD2-OE1 3.31Å; S378-Q382 WeakPolarHBondContact O-CB 3.35Å; S378-Q382 PolarHBondContact O-N 3.07Å; Q382-I386 WeakPolarHBondContact O-CD1 3.32Å
383	V	85.2	Confident	82.8	Confident	24 Å²	24	49 Å²	49	15%	0.145	26%	0.259	C	S	.	.	I	π-helix	trans	-93.4	-41	-171.8	-173	0	0	0	0	111.5	L379 I386 I387 F412	L379-V383 HydrophobicContact CD1-CB 4.05Å; L379-V383 HydrophobicContact CD1-CG1 4.19Å; L379-V383 HydrophobicContact CD1-CG2 4.37Å; L379-V383 WeakPolarHBondContact O-CB 3.44Å; L379-V383 PolarHBondContact O-N 3.17Å; V383-I386 WeakPolarHBondContact O-CB 3.44Å; V383-I386 PolarHBondContact O-N 3.09Å; V383-I386 VanDerWaalsContact O-N 3.08Å; V383-I387 HydrophobicContact CG1-CD1 3.76Å; V383-I387 HydrophobicContact CG1-CG1 4.1Å; V383-I387 PolarHBondContact O-N 3.4Å; V383-F412 HydrophobicContact CG2-CE2 4.22Å
384	T	86.5	Confident	81.9	Confident	19 Å²	19	44.7 Å²	44.7	12%	0.117	24%	0.24	C	C	.	.	H	α-helix	trans	-55.4	-43.4	-179.3	-59.4	0	0	0	0	113.8	L379 V380 I386 I387 D388	L379-T384 PolarHBondContact O-N 3.47Å; L379-T384 PolarHBondContact O-OG1 2.9Å; L379-T384 VanDerWaalsContact O-OG1 3.08Å; V380-T384 WeakPolarHBondContact CA-OG1 3.29Å; V380-T384 WeakPolarHBondContact O-CB 3.47Å; T384-I386 PolarHBondContact O-N 3.35Å; T384-I387 CarbonylContact O-C 3.58Å; T384-I387 PolarHBondContact O-N 3.06Å; T384-I387 VanDerWaalsContact O-N 3.17Å; T384-D388 WeakPolarHBondContact O-CB 3.39Å; T384-D388 VanDerWaalsContact O-CG 3.27Å; T384-D388 PolarHBondContact O-N 2.87Å
385	P	87.7	Confident	80.9	Confident	13 Å²	13	38.7 Å²	38.7	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-60.2	-33.7	177.6	-25.3	35.6	0	0	0	113.8	K120 I121 L389	K120-P385 HydrophobicContact CB-CB 4.25Å; I121-P385 HydrophobicContact CG1-CB 3.81Å; P385-L389 PolarHBondContact O-N 3.09Å; P385-L389 VanDerWaalsContact O-N 3.11Å
386	I	85.9	Confident	80	Confident	16 Å²	16	40.4 Å²	40.4	8%	0.082	22%	0.223	C	C	.	.	H	α-helix	trans	-71.3	-45.5	177.5	-58.5	167.1	0	0	0	109.6	I121 F127 K155 L160 Q382 V383 T384 D388 L389 M390	I121-I386 HydrophobicContact CG1-CG1 4.44Å; F127-I386 HydrophobicContact CE1-CD1 3.97Å; F127-I386 HydrophobicContact CZ-CD1 3.93Å; K155-I386 HydrophobicContact CG-CD1 4.13Å; L160-I386 HydrophobicContact CD1-CD1 4.26Å; L160-I386 HydrophobicContact CD2-CG2 3.71Å; Q382-I386 WeakPolarHBondContact O-CD1 3.32Å; V383-I386 WeakPolarHBondContact O-CB 3.44Å; V383-I386 PolarHBondContact O-N 3.09Å; V383-I386 VanDerWaalsContact O-N 3.08Å; T384-I386 PolarHBondContact O-N 3.35Å; I386-D388 VanDerWaalsContact C-N 3.32Å; I386-D388 PolarHBondContact O-N 3.49Å; I386-L389 PolarHBondContact O-N 3.49Å; I386-M390 HydrophobicContact CG2-CE 3.82Å; I386-M390 WeakPolarHBondContact O-CG 3.25Å; I386-M390 PolarHBondContact O-N 2.74Å; I386-M390 VanDerWaalsContact O-N 3.15Å
387	I	85.9	Confident	79.5	Confident	11 Å²	11	40.3 Å²	40.3	6%	0.056	22%	0.216	C	C	.	.	H	α-helix	trans	-61.4	-42.5	174.7	-61.9	174.7	0	0	0	110.3	V383 T384 L389 M390 A391 F397 L400 R401 V404	V383-I387 HydrophobicContact CG1-CD1 3.76Å; V383-I387 HydrophobicContact CG1-CG1 4.1Å; V383-I387 PolarHBondContact O-N 3.4Å; T384-I387 CarbonylContact O-C 3.58Å; T384-I387 PolarHBondContact O-N 3.06Å; T384-I387 VanDerWaalsContact O-N 3.17Å; I387-L389 VanDerWaalsContact C-N 3.31Å; I387-L389 PolarHBondContact O-N 3.2Å; I387-M390 CarbonylContact O-C 3.52Å; I387-M390 PolarHBondContact O-N 2.82Å; I387-A391 WeakPolarHBondContact O-CB 3.3Å; I387-A391 PolarHBondContact O-N 2.99Å; I387-F397 HydrophobicContact CG2-CD1 4.39Å; I387-F397 WeakPolarHBondContact CG2-O 3.22Å; I387-L400 HydrophobicContact CD1-CD2 4.18Å; I387-L400 HydrophobicContact CD1-CG 4.33Å; I387-L400 HydrophobicContact CG2-CG 4.45Å; I387-R401 HydrophobicContact CG2-CB 3.76Å; I387-V404 HydrophobicContact CD1-CG2 4.17Å
388	D	85.9	Confident	79	Confident	40 Å²	40	41 Å²	41	21%	0.214	22%	0.221	C	C	.	.	H	α-helix	trans	-60.8	-39.2	178.9	-77.8	-17.9	0	0	0	112.1	L117 T384 I386 R401	L117-D388 HydrophobicContact CD1-CB 4.2Å; L117-D388 HydrophobicContact CD2-CB 3.9Å; T384-D388 WeakPolarHBondContact O-CB 3.39Å; T384-D388 VanDerWaalsContact O-CG 3.27Å; T384-D388 PolarHBondContact O-N 2.87Å; I386-D388 VanDerWaalsContact C-N 3.32Å; I386-D388 PolarHBondContact O-N 3.49Å; D388-R401 WeakPolarHBondContact OD1-CD 3.08Å; D388-R401 WeakPolarHBondContact OD1-CG 3.33Å
389	L	82.8	Confident	78.4	Confident	29 Å²	29	44.2 Å²	44.2	15%	0.152	23%	0.228	C	C	.	.	H	α-helix	trans	-64.2	-48.7	175.2	-177.7	67.6	0	0	0	110.7	V114 L117 L118 I121 F183 P385 I386 I387 A391 R392	V114-L389 HydrophobicContact CG1-CD1 4.19Å; L117-L389 HydrophobicContact CB-CD1 4.32Å; L117-L389 HydrophobicContact CD1-CB 4.35Å; L117-L389 HydrophobicContact CD1-CD1 4.36Å; L118-L389 HydrophobicContact CD2-CD2 4.34Å; I121-L389 HydrophobicContact CD1-CB 4.02Å; I121-L389 HydrophobicContact CD1-CD2 3.65Å; I121-L389 HydrophobicContact CD1-CG 4.39Å; F183-L389 HydrophobicContact CE1-CD2 3.96Å; F183-L389 HydrophobicContact CZ-CD2 3.9Å; P385-L389 PolarHBondContact O-N 3.09Å; P385-L389 VanDerWaalsContact O-N 3.11Å; I386-L389 PolarHBondContact O-N 3.49Å; I387-L389 VanDerWaalsContact C-N 3.31Å; I387-L389 PolarHBondContact O-N 3.2Å; L389-A391 VanDerWaalsContact C-N 3.32Å; L389-A391 PolarHBondContact O-N 2.93Å; L389-R392 PolarHBondContact O-N 2.81Å
390	M	77.8	Confident	78.1	Confident	56 Å²	56	46.5 Å²	46.5	28%	0.276	24%	0.24	S	C	.	.	H	α-helix	trans	-68.6	-30.1	179.2	-64.1	-175.4	-66.6	0	0	112.8	I386 I387 R392 T393 S394 F397	I386-M390 HydrophobicContact CG2-CE 3.82Å; I386-M390 WeakPolarHBondContact O-CG 3.25Å; I386-M390 PolarHBondContact O-N 2.74Å; I386-M390 VanDerWaalsContact O-N 3.15Å; I387-M390 CarbonylContact O-C 3.52Å; I387-M390 PolarHBondContact O-N 2.82Å; M390-R392 PolarHBondContact O-N 2.84Å; M390-T393 PolarHBondContact O-N 3.08Å; M390-T393 PolarHBondContact O-OG1 3.41Å; M390-S394 WeakPolarHBondContact O-CB 3.45Å; M390-S394 PolarHBondContact O-N 2.87Å; M390-F397 HydrophobicContact CB-CB 3.78Å; M390-F397 HydrophobicContact CB-CD1 3.92Å; M390-F397 HydrophobicContact CB-CD2 3.62Å; M390-F397 HydrophobicContact CB-CE1 4.4Å; M390-F397 HydrophobicContact CB-CE2 4.12Å; M390-F397 HydrophobicContact CB-CG 3.48Å; M390-F397 VanDerWaalsContact CB-CG 3.48Å; M390-F397 HydrophobicContact CB-CZ 4.48Å; M390-F397 HydrophobicContact CE-CD1 3.48Å; M390-F397 VanDerWaalsContact CE-CD1 3.48Å; M390-F397 HydrophobicContact CE-CE1 3.17Å; M390-F397 HydrophobicContact CE-CE2 4.4Å; M390-F397 HydrophobicContact CE-CG 4.22Å; M390-F397 HydrophobicContact CE-CZ 3.68Å; M390-F397 HydrophobicContact CG-CD2 4.5Å; M390-F397 HydrophobicContact SD-CD1 4.17Å; M390-F397 HydrophobicContact SD-CD2 4.33Å; M390-F397 HydrophobicContact SD-CE1 3.71Å; M390-F397 HydrophobicContact SD-CE2 3.86Å; M390-F397 HydrophobicContact SD-CG 4.45Å; M390-F397 HydrophobicContact SD-CZ 3.52Å; M390-F397 VanDerWaalsContact SD-CZ 3.52Å
391	A	80.2	Confident	78.1	Confident	9 Å²	9	45.3 Å²	45.3	7%	0.074	22%	0.224	C	C	.	.	H	α-helix	trans	-66.9	-18.8	179.5	0	0	0	0	0	113.6	I387 L389 S394 F397 A398 R401	I387-A391 WeakPolarHBondContact O-CB 3.3Å; I387-A391 PolarHBondContact O-N 2.99Å; L389-A391 VanDerWaalsContact C-N 3.32Å; L389-A391 PolarHBondContact O-N 2.93Å; A391-S394 CarbonylContact C-O 3.54Å; A391-S394 WeakPolarHBondContact CA-O 3.43Å; A391-F397 HydrophobicContact CB-CB 4.11Å; A391-A398 HydrophobicContact CB-CB 4.08Å; A391-R401 HydrophobicContact CB-CB 4.46Å
392	R	76.3	Confident	77.7	Confident	69 Å²	69	42.6 Å²	42.6	26%	0.26	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-34.8	179.1	-73.2	-176.9	174.3	-129.9	0.2	112.7	T109 A110 L389 M390	T109-R392 PolarHBondContact O-NH1 3.02Å; A110-R392 HydrophobicContact CB-CB 4.28Å; A110-R392 WeakPolarHBondContact O-CD 3.28Å; A110-R392 PolarHBondContact O-NH1 3.19Å; L389-R392 PolarHBondContact O-N 2.81Å; M390-R392 PolarHBondContact O-N 2.84Å
393	T	65.3	Low	77.2	Confident	80 Å²	80	44.6 Å²	44.6	49%	0.491	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-33.2	-180	54.7	0	0	0	0	111.3	M390	M390-T393 PolarHBondContact O-N 3.08Å; M390-T393 PolarHBondContact O-OG1 3.41Å
394	S	68.5	Low	76.7	Confident	16 Å²	16	44.3 Å²	44.3	11%	0.112	22%	0.22	C	C	.	.			trans	-112.7	126.2	-177.1	179.3	0	0	0	0	113.2	M390 A391 H396 F397 A398	M390-S394 WeakPolarHBondContact O-CB 3.45Å; M390-S394 PolarHBondContact O-N 2.87Å; A391-S394 CarbonylContact C-O 3.54Å; A391-S394 WeakPolarHBondContact CA-O 3.43Å; S394-H396 PolarHBondContact O-N 3.47Å; S394-H396 PolarHBondContact OG-N 3.2Å; S394-F397 PolarHBondContact O-N 3.41Å; S394-A398 PolarHBondContact O-N 3.24Å; S394-A398 VanDerWaalsContact O-N 3.12Å
395	S	64.9	Low	75.9	Confident	26 Å²	26	47.7 Å²	47.7	18%	0.182	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-23.3	173.8	76.2	0	0	0	0	112.6	A398 R399 D491	S395-A398 WeakPolarHBondContact O-CB 3.28Å; S395-A398 PolarHBondContact O-N 2.71Å; S395-R399 WeakPolarHBondContact O-CG 3.38Å; S395-R399 PolarHBondContact O-N 3.24Å; S395-D491 WeakPolarHBondContact CB-OD1 3.43Å; S395-D491 VanDerWaalsContact OG-CG 3.32Å; S395-D491 PolarHBondContact OG-OD1 3.02Å
396	H	64.4	Low	75.1	Confident	51 Å²	51	49.3 Å²	49.3	24%	0.236	25%	0.249	C	C	.	.	H	α-helix	trans	-69.3	-47	-178.7	-50.7	-25.2	0	0	0	110.1	S394 A398 R399 L400 D490 D491 L494	S394-H396 PolarHBondContact O-N 3.47Å; S394-H396 PolarHBondContact OG-N 3.2Å; H396-A398 VanDerWaalsContact C-N 3.27Å; H396-A398 PolarHBondContact O-N 3.03Å; H396-R399 PolarHBondContact O-N 3.33Å; H396-L400 WeakPolarHBondContact O-CB 3.45Å; H396-L400 PolarHBondContact O-N 3.09Å; H396-D490 PolarHBondContact CE1-O 3.3Å; H396-D490 VanDerWaalsContact CE1-O 3.32Å; H396-D490 PolarHBondContact NE2-O 3.16Å; H396-D491 IonicContact CE1-OD1 2.61Å; H396-L494 WeakPolarHBondContact CE1-CB 3.23Å; H396-L494 WeakPolarHBondContact CE1-CD2 3.37Å; H396-L494 WeakPolarHBondContact ND1-CD2 3.32Å; H396-L494 VanDerWaalsContact NE2-CB 3.33Å; H396-L494 WeakPolarHBondContact NE2-CB 3.5Å
397	F	72.6	Confident	74.3	Confident	69 Å²	69	57.8 Å²	57.8	30%	0.303	29%	0.285	S	S	.	.	H	α-helix	trans	-68.4	-29.3	173.4	-76.2	-73.4	0	0	0	111.7	I387 M390 A391 S394 L400 R401	I387-F397 HydrophobicContact CG2-CD1 4.39Å; I387-F397 WeakPolarHBondContact CG2-O 3.22Å; M390-F397 HydrophobicContact CB-CB 3.78Å; M390-F397 HydrophobicContact CB-CD1 3.92Å; M390-F397 HydrophobicContact CB-CD2 3.62Å; M390-F397 HydrophobicContact CB-CE1 4.4Å; M390-F397 HydrophobicContact CB-CE2 4.12Å; M390-F397 HydrophobicContact CB-CG 3.48Å; M390-F397 VanDerWaalsContact CB-CG 3.48Å; M390-F397 HydrophobicContact CB-CZ 4.48Å; M390-F397 HydrophobicContact CE-CD1 3.48Å; M390-F397 VanDerWaalsContact CE-CD1 3.48Å; M390-F397 HydrophobicContact CE-CE1 3.17Å; M390-F397 HydrophobicContact CE-CE2 4.4Å; M390-F397 HydrophobicContact CE-CG 4.22Å; M390-F397 HydrophobicContact CE-CZ 3.68Å; M390-F397 HydrophobicContact CG-CD2 4.5Å; M390-F397 HydrophobicContact SD-CD1 4.17Å; M390-F397 HydrophobicContact SD-CD2 4.33Å; M390-F397 HydrophobicContact SD-CE1 3.71Å; M390-F397 HydrophobicContact SD-CE2 3.86Å; M390-F397 HydrophobicContact SD-CG 4.45Å; M390-F397 HydrophobicContact SD-CZ 3.52Å; M390-F397 VanDerWaalsContact SD-CZ 3.52Å; A391-F397 HydrophobicContact CB-CB 4.11Å; S394-F397 PolarHBondContact O-N 3.41Å; F397-L400 HydrophobicContact CD1-CD2 4.05Å; F397-L400 HydrophobicContact CE1-CD2 4.25Å; F397-L400 PolarHBondContact O-N 3.06Å; F397-R401 VanDerWaalsContact O-CB 3.3Å; F397-R401 WeakPolarHBondContact O-CB 3.38Å; F397-R401 PolarHBondContact O-N 2.9Å
398	A	73.4	Confident	73.9	Confident	18 Å²	18	59 Å²	59	15%	0.149	29%	0.29	C	S	.	.	H	α-helix	trans	-64.4	-45.2	170.5	0	0	0	0	0	112.2	A391 S394 S395 H396 L400 R401 D402	A391-A398 HydrophobicContact CB-CB 4.08Å; S394-A398 PolarHBondContact O-N 3.24Å; S394-A398 VanDerWaalsContact O-N 3.12Å; S395-A398 WeakPolarHBondContact O-CB 3.28Å; S395-A398 PolarHBondContact O-N 2.71Å; H396-A398 VanDerWaalsContact C-N 3.27Å; H396-A398 PolarHBondContact O-N 3.03Å; A398-L400 VanDerWaalsContact C-N 3.34Å; A398-L400 PolarHBondContact O-N 2.81Å; A398-R401 WeakPolarHBondContact O-CB 3.32Å; A398-R401 PolarHBondContact O-N 2.99Å; A398-D402 PolarHBondContact O-N 3.14Å
399	R	72.6	Confident	73.8	Confident	108 Å²	108	57.9 Å²	57.9	41%	0.408	29%	0.285	S	S	.	.	H	α-helix	trans	-64.4	-38.9	174.1	-69.9	177.3	-177.7	163.8	3.3	112.1	S395 H396 D402 F403	S395-R399 WeakPolarHBondContact O-CG 3.38Å; S395-R399 PolarHBondContact O-N 3.24Å; H396-R399 PolarHBondContact O-N 3.33Å; R399-D402 PolarHBondContact O-N 3.27Å; R399-F403 WeakPolarHBondContact O-CB 3.5Å; R399-F403 PolarHBondContact O-N 3.49Å
400	L	74.4	Confident	73.9	Confident	71 Å²	71	60.6 Å²	60.6	37%	0.372	30%	0.304	S	S	.	.	H	α-helix	trans	-64.9	-42.8	175.2	-179.3	62.2	0	0	0	111.4	I387 H396 F397 A398 F403 V404	I387-L400 HydrophobicContact CD1-CD2 4.18Å; I387-L400 HydrophobicContact CD1-CG 4.33Å; I387-L400 HydrophobicContact CG2-CG 4.45Å; H396-L400 WeakPolarHBondContact O-CB 3.45Å; H396-L400 PolarHBondContact O-N 3.09Å; F397-L400 HydrophobicContact CD1-CD2 4.05Å; F397-L400 HydrophobicContact CE1-CD2 4.25Å; F397-L400 PolarHBondContact O-N 3.06Å; A398-L400 VanDerWaalsContact C-N 3.34Å; A398-L400 PolarHBondContact O-N 2.81Å; L400-F403 WeakPolarHBondContact O-CB 3.27Å; L400-F403 PolarHBondContact O-N 3.49Å; L400-V404 HydrophobicContact CD1-CG2 4.22Å; L400-V404 HydrophobicContact CG-CG2 4.4Å; L400-V404 WeakPolarHBondContact O-CB 2.99Å; L400-V404 VanDerWaalsContact O-CG2 3.29Å; L400-V404 WeakPolarHBondContact O-CG2 3.42Å; L400-V404 PolarHBondContact O-N 3.47Å
401	R	80.9	Confident	74.2	Confident	79 Å²	79	59.6 Å²	59.6	30%	0.298	31%	0.309	S	S	.	.	H	α-helix	trans	-57.5	-51.3	172.4	179.8	-161	65	-154.4	-4.7	110.2	I387 D388 A391 F397 A398 F403 V404 T405	I387-R401 HydrophobicContact CG2-CB 3.76Å; D388-R401 WeakPolarHBondContact OD1-CD 3.08Å; D388-R401 WeakPolarHBondContact OD1-CG 3.33Å; A391-R401 HydrophobicContact CB-CB 4.46Å; F397-R401 VanDerWaalsContact O-CB 3.3Å; F397-R401 WeakPolarHBondContact O-CB 3.38Å; F397-R401 PolarHBondContact O-N 2.9Å; A398-R401 WeakPolarHBondContact O-CB 3.32Å; A398-R401 PolarHBondContact O-N 2.99Å; R401-F403 PolarHBondContact O-N 2.93Å; R401-V404 PolarHBondContact O-N 3.23Å; R401-V404 VanDerWaalsContact O-N 3.14Å; R401-T405 HydrophobicContact CG-CG2 4.17Å; R401-T405 WeakPolarHBondContact O-CB 3.41Å; R401-T405 VanDerWaalsContact O-CG2 3.25Å; R401-T405 WeakPolarHBondContact O-CG2 3.42Å; R401-T405 PolarHBondContact O-N 2.95Å; R401-T405 PolarHBondContact O-OG1 3.01Å
402	D	76.8	Confident	74.6	Confident	78 Å²	78	59.4 Å²	59.4	42%	0.417	31%	0.306	S	S	.	.	H	α-helix	trans	-58.9	-40.5	-179.4	-64.2	-10.6	0	0	0	110.3	A398 R399 T405 L406	A398-D402 PolarHBondContact O-N 3.14Å; R399-D402 PolarHBondContact O-N 3.27Å; D402-T405 WeakPolarHBondContact CA-OG1 3.46Å; D402-T405 PolarHBondContact O-OG1 3.07Å; D402-L406 WeakPolarHBondContact O-CG 3.42Å; D402-L406 PolarHBondContact O-N 2.8Å
403	F	73.6	Confident	75.3	Confident	55 Å²	55	56.5 Å²	56.5	24%	0.241	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-54.3	172.1	-176.8	-111.5	0	0	0	112.2	L241 R399 L400 R401 T405 L406 F408	L241-F403 HydrophobicContact CD2-CD2 3.95Å; L241-F403 HydrophobicContact CD2-CE2 4.47Å; R399-F403 WeakPolarHBondContact O-CB 3.5Å; R399-F403 PolarHBondContact O-N 3.49Å; L400-F403 WeakPolarHBondContact O-CB 3.27Å; L400-F403 PolarHBondContact O-N 3.49Å; R401-F403 PolarHBondContact O-N 2.93Å; F403-T405 PolarHBondContact O-N 2.91Å; F403-L406 HydrophobicContact CD2-CD1 3.91Å; F403-L406 WeakPolarHBondContact O-CB 3.41Å; F403-L406 WeakPolarHBondContact O-CG 3.41Å; F403-L406 PolarHBondContact O-N 2.97Å; F403-F408 HydrophobicContact CD1-CE2 4.09Å; F403-F408 AromaticContact CD1-CZ 3.87Å; F403-F408 HydrophobicContact CD1-CZ 3.87Å; F403-F408 HydrophobicContact CE1-CE1 4.46Å; F403-F408 HydrophobicContact CE1-CE2 4.09Å; F403-F408 AromaticContact CE1-CZ 3.44Å; F403-F408 HydrophobicContact CE1-CZ 3.44Å; F403-F408 VanDerWaalsContact CE1-CZ 3.44Å; F403-F408 HydrophobicContact CZ-CE2 4.46Å; F403-F408 AromaticContact CZ-CZ 3.84Å; F403-F408 HydrophobicContact CZ-CZ 3.84Å; F403-F408 WeakPolarHBondContact O-CE2 3.42Å
404	V	73.4	Confident	76.5	Confident	17 Å²	17	52.7 Å²	52.7	10%	0.103	27%	0.273	C	S	.	.	H	α-helix	trans	-59.2	-32.4	-179.8	167.8	0	0	0	0	112.8	L379 I387 L400 R401 L406 F408	L379-V404 HydrophobicContact CD1-CG1 4.29Å; L379-V404 HydrophobicContact CD2-CG1 3.7Å; L379-V404 HydrophobicContact CG-CG1 3.77Å; I387-V404 HydrophobicContact CD1-CG2 4.17Å; L400-V404 HydrophobicContact CD1-CG2 4.22Å; L400-V404 HydrophobicContact CG-CG2 4.4Å; L400-V404 WeakPolarHBondContact O-CB 2.99Å; L400-V404 VanDerWaalsContact O-CG2 3.29Å; L400-V404 WeakPolarHBondContact O-CG2 3.42Å; L400-V404 PolarHBondContact O-N 3.47Å; R401-V404 PolarHBondContact O-N 3.23Å; R401-V404 VanDerWaalsContact O-N 3.14Å; V404-L406 VanDerWaalsContact C-N 3.31Å; V404-F408 WeakPolarHBondContact O-CD2 3.38Å
405	T	70.3	Confident	77.6	Confident	91 Å²	91	53 Å²	53	56%	0.558	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-6.1	177	60.2	0	0	0	0	113.9	R401 D402 F403	R401-T405 HydrophobicContact CG-CG2 4.17Å; R401-T405 WeakPolarHBondContact O-CB 3.41Å; R401-T405 VanDerWaalsContact O-CG2 3.25Å; R401-T405 WeakPolarHBondContact O-CG2 3.42Å; R401-T405 PolarHBondContact O-N 2.95Å; R401-T405 PolarHBondContact O-OG1 3.01Å; D402-T405 WeakPolarHBondContact CA-OG1 3.46Å; D402-T405 PolarHBondContact O-OG1 3.07Å; F403-T405 PolarHBondContact O-N 2.91Å
406	L	71.8	Confident	78.8	Confident	46 Å²	46	53.1 Å²	53.1	24%	0.241	27%	0.27	C	S	.	.	S	Bend	trans	-61.3	162.8	166.1	-64.6	170.5	0	0	0	110	T243 I246 D402 F403 V404 F408	T243-L406 HydrophobicContact CG2-CD1 3.78Å; T243-L406 HydrophobicContact CG2-CD2 3.8Å; T243-L406 HydrophobicContact CG2-CG 4.39Å; I246-L406 HydrophobicContact CD1-CD1 4.27Å; D402-L406 WeakPolarHBondContact O-CG 3.42Å; D402-L406 PolarHBondContact O-N 2.8Å; F403-L406 HydrophobicContact CD2-CD1 3.91Å; F403-L406 WeakPolarHBondContact O-CB 3.41Å; F403-L406 WeakPolarHBondContact O-CG 3.41Å; F403-L406 PolarHBondContact O-N 2.97Å; V404-L406 VanDerWaalsContact C-N 3.31Å; L406-F408 PolarHBondContact O-N 3.09Å
407	K	68.4	Low	80	Confident	195 Å²	195	52 Å²	52	85%	0.848	27%	0.265	S	S	*	.			trans	-68.3	72.2	176.9	-65.6	-176.3	-179.4	178.2	0	111.2	F248	F248-K407 WeakPolarHBondContact CE2-O 3.24Å
408	F	78.4	Confident	80.4	Confident	37 Å²	37	51.9 Å²	51.9	16%	0.162	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-57.2	146.1	169.4	-94.1	-92.7	0	0	0	109.8	L369 M371 F403 V404 L406	L369-F408 HydrophobicContact CD1-CD1 4.31Å; L369-F408 HydrophobicContact CD1-CE1 3.85Å; L369-F408 HydrophobicContact CD2-CE1 4.46Å; M371-F408 HydrophobicContact CE-CD1 4.04Å; M371-F408 HydrophobicContact SD-CD1 4.38Å; F403-F408 HydrophobicContact CD1-CE2 4.09Å; F403-F408 AromaticContact CD1-CZ 3.87Å; F403-F408 HydrophobicContact CD1-CZ 3.87Å; F403-F408 HydrophobicContact CE1-CE1 4.46Å; F403-F408 HydrophobicContact CE1-CE2 4.09Å; F403-F408 AromaticContact CE1-CZ 3.44Å; F403-F408 HydrophobicContact CE1-CZ 3.44Å; F403-F408 VanDerWaalsContact CE1-CZ 3.44Å; F403-F408 HydrophobicContact CZ-CE2 4.46Å; F403-F408 AromaticContact CZ-CZ 3.84Å; F403-F408 HydrophobicContact CZ-CZ 3.84Å; F403-F408 WeakPolarHBondContact O-CE2 3.42Å; V404-F408 WeakPolarHBondContact O-CD2 3.38Å; L406-F408 PolarHBondContact O-N 3.09Å
409	P	83.1	Confident	80.4	Confident	15 Å²	15	53.2 Å²	53.2	10%	0.097	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-55.8	154.2	165.9	-18.9	30.3	0	0	0	110.5	F248 F274 M371	F248-P409 HydrophobicContact CB-CG 4.04Å; F248-P409 HydrophobicContact CD1-CG 3.96Å; F248-P409 HydrophobicContact CG-CG 3.92Å; F274-P409 HydrophobicContact CD1-CB 4.44Å; F274-P409 HydrophobicContact CD1-CG 4.14Å; F274-P409 HydrophobicContact CD2-CB 4.2Å; F274-P409 HydrophobicContact CD2-CG 4.18Å; F274-P409 HydrophobicContact CE1-CB 4.11Å; F274-P409 HydrophobicContact CE1-CG 4.27Å; F274-P409 HydrophobicContact CE2-CB 3.83Å; F274-P409 HydrophobicContact CE2-CG 4.3Å; F274-P409 HydrophobicContact CG-CB 4.49Å; F274-P409 HydrophobicContact CG-CG 4.09Å; F274-P409 HydrophobicContact CZ-CB 3.79Å; F274-P409 HydrophobicContact CZ-CG 4.35Å; M371-P409 VanDerWaalsContact CE-O 3.29Å; M371-P409 WeakPolarHBondContact CE-O 3.38Å; M371-P409 HydrophobicContact CG-CB 4.15Å; M371-P409 HydrophobicContact CG-CG 4.36Å
410	P	83.8	Confident	80	Confident	86 Å²	86	50.4 Å²	50.4	56%	0.558	27%	0.267	S	S	*	.	S	Bend	trans	-60.4	142.9	-178.9	25.8	-34.8	0	0	0	112	E373	E373-P410 HydrophobicContact CG-CB 4.37Å; E373-P410 WeakPolarHBondContact OE1-CG 3.24Å
411	G	85.6	Confident	79.3	Confident	36 Å²	36	49.6 Å²	49.6	37%	0.371	26%	0.26	S	S	.	.	S	Bend	trans	106.6	-175.4	178.8	0	0	0	0	0	114.1	M371 S372	M371-G411 VanDerWaalsContact CE-O 3.23Å; M371-G411 WeakPolarHBondContact CE-O 3.41Å; S372-G411 CarbonylContact O-C 3.55Å; S372-G411 VanDerWaalsContact O-CA 3.26Å; S372-G411 WeakPolarHBondContact O-CA 3.31Å
412	F	88.4	Confident	78.1	Confident	5 Å²	5	53.3 Å²	53.3	2%	0.022	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	138.3	177.3	-171.9	-89.8	0	0	0	110.8	M129 M371 S372 H375 L377 L379 V383 V414 F430	M129-F412 HydrophobicContact SD-CZ 4.27Å; M371-F412 WeakPolarHBondContact CA-O 2.92Å; S372-F412 PolarHBondContact N-O 2.72Å; S372-F412 PolarHBondContact O-N 3.2Å; H375-F412 HydrophobicContact CB-CB 3.55Å; H375-F412 HydrophobicContact CB-CD1 4.49Å; H375-F412 HydrophobicContact CB-CG 4.24Å; H375-F412 AromaticContact CD2-CD1 3.94Å; H375-F412 AromaticContact CE1-CD1 3.35Å; H375-F412 WeakPolarHBondContact CE1-CD1 3.35Å; H375-F412 AromaticContact CE1-CE1 3.49Å; H375-F412 VanDerWaalsContact CE1-CE1 3.49Å; H375-F412 WeakPolarHBondContact CE1-CE1 3.43Å; H375-F412 AromaticContact CE1-CG 3.73Å; H375-F412 AromaticContact CE1-CZ 3.98Å; H375-F412 AromaticContact CG-CD1 3.69Å; H375-F412 AromaticContact CG-CG 3.76Å; H375-F412 AromaticContact ND1-CD1 3.32Å; H375-F412 VanDerWaalsContact ND1-CD1 3.32Å; H375-F412 WeakPolarHBondContact ND1-CD1 3.47Å; H375-F412 AromaticContact ND1-CD2 3.79Å; H375-F412 AromaticContact ND1-CE1 3.92Å; H375-F412 AromaticContact ND1-CG 3.25Å; H375-F412 WeakPolarHBondContact ND1-CG 3.21Å; H375-F412 AromaticContact NE2-CD1 3.75Å; H375-F412 AromaticContact NE2-CE1 3.94Å; L377-F412 HydrophobicContact CB-CD2 4.15Å; L377-F412 HydrophobicContact CB-CE2 4.03Å; L377-F412 VanDerWaalsContact O-CD2 3.3Å; L377-F412 WeakPolarHBondContact O-CD2 3.35Å; L379-F412 HydrophobicContact CB-CD2 4.08Å; L379-F412 HydrophobicContact CB-CE2 4.39Å; L379-F412 HydrophobicContact CD1-CE2 4.24Å; V383-F412 HydrophobicContact CG2-CE2 4.22Å; F412-V414 HydrophobicContact CD1-CG1 4.29Å; F412-V414 PolarHBondContact O-N 3.37Å; F412-V414 VanDerWaalsContact O-N 3.14Å; F412-F430 HydrophobicContact CE1-CB 3.87Å; F412-F430 HydrophobicContact CE1-CD1 4.44Å; F412-F430 HydrophobicContact CE1-CD2 4.22Å; F412-F430 AromaticContact CE1-CG 3.92Å; F412-F430 HydrophobicContact CE1-CG 3.92Å; F412-F430 HydrophobicContact CZ-CD1 4.49Å; F412-F430 HydrophobicContact CZ-CG 4.41Å
413	P	89.9	Confident	77.1	Confident	7 Å²	7	50.3 Å²	50.3	5%	0.045	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	103.5	175.4	29.5	-32.8	0	0	0	110.2	W370 M371 L379 I416 F430	W370-P413 CarbonylContact O-C 3.59Å; W370-P413 WeakPolarHBondContact O-CA 3.25Å; M371-P413 HydrophobicContact CE-CB 4.39Å; M371-P413 HydrophobicContact SD-CB 3.77Å; L379-P413 HydrophobicContact CD2-CG 4.41Å; P413-I416 HydrophobicContact CB-CD1 4.24Å; P413-I416 HydrophobicContact CB-CG1 4.19Å; P413-F430 WeakPolarHBondContact O-CD2 3.21Å; P413-F430 WeakPolarHBondContact O-CE2 3.47Å
414	V	91.4	Very high	76.7	Confident	0 Å²	0	50 Å²	50	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-22.1	178.7	-64.6	0	0	0	0	112.9	V266 F269 A271 W370 F412 T429 F430	V266-V414 HydrophobicContact CB-CG2 3.98Å; V266-V414 HydrophobicContact CG1-CG2 4.32Å; V266-V414 HydrophobicContact CG2-CG2 4.44Å; F269-V414 HydrophobicContact CB-CG1 4.32Å; F269-V414 HydrophobicContact CD2-CG1 4.37Å; F269-V414 HydrophobicContact CG-CG1 4.47Å; A271-V414 HydrophobicContact CB-CG2 3.61Å; W370-V414 HydrophobicContact CB-CG2 3.93Å; W370-V414 WeakPolarHBondContact O-CG2 3.43Å; W370-V414 PolarHBondContact O-N 3.07Å; F412-V414 HydrophobicContact CD1-CG1 4.29Å; F412-V414 PolarHBondContact O-N 3.37Å; F412-V414 VanDerWaalsContact O-N 3.14Å; V414-T429 WeakPolarHBondContact O-CA 3.32Å; V414-F430 PolarHBondContact O-N 3.41Å
415	K	92.1	Very high	76.7	Confident	24 Å²	24	51.6 Å²	51.6	10%	0.104	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	140.7	172.7	174.4	-176.2	174.6	-154.4	0	110.2	V266 W370 E417 R427 I428 T429	V266-K415 HydrophobicContact CG1-CB 4.09Å; V266-K415 HydrophobicContact CG2-CB 4.46Å; W370-K415 HydrophobicContact CB-CB 3.92Å; W370-K415 HydrophobicContact CD2-CB 4.03Å; W370-K415 HydrophobicContact CD2-CD 3.81Å; W370-K415 HydrophobicContact CD2-CG 3.99Å; W370-K415 HydrophobicContact CE3-CB 3.91Å; W370-K415 HydrophobicContact CE3-CD 3.78Å; W370-K415 HydrophobicContact CE3-CG 3.6Å; W370-K415 HydrophobicContact CG-CB 4.05Å; W370-K415 HydrophobicContact CG-CD 4.39Å; W370-K415 HydrophobicContact CH2-CD 4.14Å; W370-K415 VanDerWaalsContact CH2-NZ 3.29Å; W370-K415 HydrophobicContact CZ2-CD 4.16Å; W370-K415 VanDerWaalsContact CZ2-NZ 3.32Å; W370-K415 HydrophobicContact CZ3-CD 3.94Å; W370-K415 HydrophobicContact CZ3-CG 3.94Å; W370-K415 PolarHBondContact N-O 2.89Å; K415-E417 WeakPolarHBondContact CE-OE2 3.17Å; K415-E417 IonicContact NZ-OE2 2.62Å; K415-E417 PolarHBondContact NZ-OE2 3.34Å; K415-R427 HydrophobicContact CG-CG 4.41Å; K415-I428 CarbonylContact C-O 3.6Å; K415-I428 VanDerWaalsContact CA-O 3.29Å; K415-I428 WeakPolarHBondContact CA-O 3.4Å; K415-T429 HydrophobicContact CB-CG2 4.03Å; K415-T429 HydrophobicContact CD-CG2 4.2Å; K415-T429 HydrophobicContact CG-CG2 3.8Å
416	I	90.4	Very high	77.2	Confident	28 Å²	28	48.1 Å²	48.1	14%	0.144	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	131.2	174.8	-51.5	-178.8	0	0	0	107.4	L369 P413 I418 R427 I428 F430	L369-I416 HydrophobicContact CD2-CB 4.13Å; L369-I416 HydrophobicContact CD2-CD1 4.24Å; L369-I416 HydrophobicContact CD2-CG1 3.7Å; L369-I416 HydrophobicContact CD2-CG2 3.84Å; P413-I416 HydrophobicContact CB-CD1 4.24Å; P413-I416 HydrophobicContact CB-CG1 4.19Å; I416-I418 HydrophobicContact CG2-CD1 4.22Å; I416-I418 HydrophobicContact CG2-CG1 4.14Å; I416-R427 CarbonylContact O-C 3.53Å; I416-R427 WeakPolarHBondContact O-CA 3.36Å; I416-I428 HydrophobicContact CB-CB 4.34Å; I416-I428 PolarHBondContact N-O 2.96Å; I416-I428 PolarHBondContact O-N 3.15Å; I416-F430 HydrophobicContact CD1-CE2 4.14Å; I416-F430 HydrophobicContact CG1-CE2 4.36Å
417	E	88.3	Confident	77.9	Confident	27 Å²	27	48.8 Å²	48.8	13%	0.126	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.8	176.1	-167	165.5	167.9	0	0	109.6	G367 T368 W370 K415 N425 A426 R427	G367-E417 CarbonylContact C-O 3.54Å; G367-E417 WeakPolarHBondContact CA-O 3.45Å; T368-E417 PolarHBondContact N-O 2.88Å; T368-E417 PolarHBondContact O-N 2.6Å; W370-E417 HydrophobicContact CH2-CB 3.92Å; W370-E417 WeakPolarHBondContact CH2-OE2 3.48Å; W370-E417 HydrophobicContact CZ3-CB 3.57Å; K415-E417 WeakPolarHBondContact CE-OE2 3.17Å; K415-E417 IonicContact NZ-OE2 2.62Å; K415-E417 PolarHBondContact NZ-OE2 3.34Å; E417-N425 HydrophobicContact CG-CB 4.19Å; E417-N425 PolarHBondContact OE1-ND2 3.38Å; E417-A426 CarbonylContact C-O 3.58Å; E417-A426 WeakPolarHBondContact CA-O 3.38Å; E417-R427 IonicContact OE1-NH2 2.71Å; E417-R427 IonicContact OE2-NE 3.9Å; E417-R427 IonicContact OE2-NH2 3.93Å
418	I	82.3	Confident	78.9	Confident	67 Å²	67	41.9 Å²	41.9	34%	0.344	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	111.4	180	-59.9	163.2	0	0	0	107.4	I416 L420 A426	I416-I418 HydrophobicContact CG2-CD1 4.22Å; I416-I418 HydrophobicContact CG2-CG1 4.14Å; I418-L420 HydrophobicContact CG2-CD2 4.05Å; I418-L420 PolarHBondContact O-N 3.25Å; I418-A426 PolarHBondContact N-O 3.24Å; I418-A426 PolarHBondContact O-N 2.91Å
419	P	73.1	Confident	79.4	Confident	45 Å²	45	41.1 Å²	41.1	29%	0.292	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	118.2	170.2	29.8	-30.1	0	0	0	108	K366 N425	K366-P419 WeakPolarHBondContact O-CD 3.41Å; K366-P419 WeakPolarHBondContact O-CG 3.29Å; P419-N425 WeakPolarHBondContact CA-OD1 3.45Å
420	L	63.4	Low	79.7	Confident	49 Å²	49	41.7 Å²	41.7	26%	0.257	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-43.6	178.1	-62.4	-178.4	0	0	0	110	F135 I418 L424 A426	F135-L420 HydrophobicContact CD1-CD1 3.91Å; F135-L420 HydrophobicContact CE1-CD1 3.46Å; F135-L420 VanDerWaalsContact CE1-CD1 3.46Å; F135-L420 HydrophobicContact CZ-CD1 4.48Å; I418-L420 HydrophobicContact CG2-CD2 4.05Å; I418-L420 PolarHBondContact O-N 3.25Å; L420-L424 PolarHBondContact N-O 2.96Å; L420-A426 HydrophobicContact CD1-CB 3.95Å; L420-A426 HydrophobicContact CD2-CB 4.39Å; L420-A426 HydrophobicContact CG-CB 4.07Å
421	F	60.5	Low	79.8	Confident	54 Å²	54	37.9 Å²	37.9	24%	0.237	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	174.3	-180	-68.1	-68	0	0	0	112.4	L309 V423 L424 L502	L309-F421 HydrophobicContact CD2-CD1 4.38Å; L309-F421 HydrophobicContact CD2-CE1 3.32Å; L309-F421 HydrophobicContact CD2-CZ 3.79Å; F421-V423 PolarHBondContact O-N 3.42Å; F421-L424 PolarHBondContact N-O 3.26Å; F421-L424 PolarHBondContact O-N 3.27Å; F421-L424 VanDerWaalsContact O-N 3.13Å; F421-L502 HydrophobicContact CE2-CD2 4.41Å; F421-L502 HydrophobicContact CZ-CD2 3.71Å
422	H	54.3	Low	79.6	Confident	158 Å²	158	39 Å²	39	73%	0.731	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47.3	-21.1	177.8	64.3	-68.4	0	0	0	114.1	W138	W138-H422 PolarHBondContact NE1-O 2.95Å
423	V	56.8	Low	79.2	Confident	14 Å²	14	39.3 Å²	39.3	9%	0.085	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-2	179.9	-150	0	0	0	0	118.1	S137 W138 I139 F421	S137-V423 WeakPolarHBondContact CA-O 3.46Å; S137-V423 WeakPolarHBondContact CB-O 3.4Å; S137-V423 WeakPolarHBondContact OG-CG1 3.39Å; S137-V423 PolarHBondContact OG-O 2.93Å; W138-V423 VanDerWaalsContact CD1-CA 3.43Å; W138-V423 HydrophobicContact CD2-CG1 4.03Å; W138-V423 HydrophobicContact CG-CG1 3.89Å; W138-V423 HydrophobicContact CZ2-CG1 4.19Å; W138-V423 HydrophobicContact CZ2-CG2 4.03Å; I139-V423 HydrophobicContact CB-CG1 3.89Å; I139-V423 HydrophobicContact CD1-CB 4.26Å; I139-V423 HydrophobicContact CD1-CG1 3.33Å; I139-V423 HydrophobicContact CD1-CG2 4.09Å; I139-V423 HydrophobicContact CG1-CG1 3.36Å; F421-V423 PolarHBondContact O-N 3.42Å
424	L	64.2	Low	78.7	Confident	48 Å²	48	41 Å²	41	25%	0.251	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	128.9	-172.7	-72.1	169.3	0	0	0	111.7	T136 L420 F421	T136-L424 WeakPolarHBondContact O-CA 3.25Å; L420-L424 PolarHBondContact N-O 2.96Å; F421-L424 PolarHBondContact N-O 3.26Å; F421-L424 PolarHBondContact O-N 3.27Å; F421-L424 VanDerWaalsContact O-N 3.13Å
425	N	74.5	Confident	77.6	Confident	51 Å²	51	47.9 Å²	47.9	27%	0.273	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.7	172.6	-63	-11.1	0	0	0	109.3	F135 T136 E417 P419	F135-N425 CarbonylContact C-O 3.42Å; F135-N425 WeakPolarHBondContact CA-O 3.38Å; T136-N425 PolarHBondContact N-O 3.34Å; T136-N425 PolarHBondContact O-N 3.49Å; T136-N425 PolarHBondContact OG1-O 3.26Å; E417-N425 HydrophobicContact CG-CB 4.19Å; E417-N425 PolarHBondContact OE1-ND2 3.38Å; P419-N425 WeakPolarHBondContact CA-OD1 3.45Å
426	A	80.6	Confident	75.8	Confident	18 Å²	18	48.5 Å²	48.5	15%	0.149	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	128.5	163.8	0	0	0	0	0	108.8	F135 E417 I418 L420	F135-A426 HydrophobicContact CD1-CB 3.89Å; F135-A426 HydrophobicContact CE1-CB 3.75Å; E417-A426 CarbonylContact C-O 3.58Å; E417-A426 WeakPolarHBondContact CA-O 3.38Å; I418-A426 PolarHBondContact N-O 3.24Å; I418-A426 PolarHBondContact O-N 2.91Å; L420-A426 HydrophobicContact CD1-CB 3.95Å; L420-A426 HydrophobicContact CD2-CB 4.39Å; L420-A426 HydrophobicContact CG-CB 4.07Å
427	R	85.6	Confident	74	Confident	61 Å²	61	55.4 Å²	55.4	23%	0.23	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	130.2	178	-176	-173.6	-66.8	159.4	-1.3	109.8	W133 E134 K415 I416 E417 T429	W133-R427 CarbonylContact C-O 3.58Å; W133-R427 VanDerWaalsContact CA-O 3.3Å; W133-R427 WeakPolarHBondContact CA-O 3.38Å; E134-R427 HydrophobicContact CG-CB 3.97Å; E134-R427 HydrophobicContact CG-CG 4.47Å; E134-R427 PolarHBondContact N-O 3.35Å; E134-R427 PolarHBondContact O-N 2.72Å; E134-R427 VanDerWaalsContact OE1-CD 3.31Å; E134-R427 WeakPolarHBondContact OE1-CD 3.42Å; E134-R427 IonicContact OE1-CZ 2.92Å; E134-R427 IonicContact OE1-NE 3.04Å; E134-R427 IonicContact OE1-NH1 3.6Å; E134-R427 PolarHBondContact OE1-NH1 2.89Å; K415-R427 HydrophobicContact CG-CG 4.41Å; I416-R427 CarbonylContact O-C 3.53Å; I416-R427 WeakPolarHBondContact O-CA 3.36Å; E417-R427 IonicContact OE1-NH2 2.71Å; E417-R427 IonicContact OE2-NE 3.9Å; E417-R427 IonicContact OE2-NH2 3.93Å; R427-T429 HydrophobicContact CG-CG2 4.23Å
428	I	89.5	Confident	72.2	Confident	50 Å²	50	56 Å²	56	26%	0.256	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.1	173.6	-54.7	167.6	0	0	0	107.1	M131 K132 W133 K415 I416 F430	M131-I428 HydrophobicContact CG-CG2 3.82Å; M131-I428 HydrophobicContact SD-CG2 4.18Å; K132-I428 CarbonylContact O-C 3.58Å; K132-I428 WeakPolarHBondContact O-CA 3.37Å; W133-I428 HydrophobicContact CB-CG1 4.23Å; K415-I428 CarbonylContact C-O 3.6Å; K415-I428 VanDerWaalsContact CA-O 3.29Å; K415-I428 WeakPolarHBondContact CA-O 3.4Å; I416-I428 HydrophobicContact CB-CB 4.34Å; I416-I428 PolarHBondContact N-O 2.96Å; I416-I428 PolarHBondContact O-N 3.15Å; I428-F430 HydrophobicContact CG2-CE1 4.36Å; I428-F430 HydrophobicContact CG2-CE2 3.83Å; I428-F430 HydrophobicContact CG2-CZ 3.75Å
429	T	89.8	Confident	70.2	Confident	21 Å²	21	60.2 Å²	60.2	13%	0.129	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139	175.2	53.9	0	0	0	0	110.2	K132 V414 K415 R427	K132-T429 PolarHBondContact N-O 2.61Å; K132-T429 PolarHBondContact O-N 2.68Å; V414-T429 WeakPolarHBondContact O-CA 3.32Å; K415-T429 HydrophobicContact CB-CG2 4.03Å; K415-T429 HydrophobicContact CD-CG2 4.2Å; K415-T429 HydrophobicContact CG-CG2 3.8Å; R427-T429 HydrophobicContact CG-CG2 4.23Å
430	F	89.6	Confident	68.6	Low	27 Å²	27	66 Å²	66	12%	0.118	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	132.4	177	-57.8	-87.4	0	0	0	108.3	M129 E130 M131 N267 F412 P413 V414 I416 I428	M129-F430 HydrophobicContact CG-CD1 4.49Å; M129-F430 HydrophobicContact SD-CB 4.45Å; M129-F430 HydrophobicContact SD-CD1 3.54Å; M129-F430 VanDerWaalsContact SD-CD1 3.54Å; M129-F430 HydrophobicContact SD-CE1 4.25Å; M129-F430 HydrophobicContact SD-CG 4.4Å; E130-F430 WeakPolarHBondContact O-CA 3.3Å; M131-F430 HydrophobicContact CB-CD1 4.09Å; M131-F430 HydrophobicContact CB-CE1 4.12Å; M131-F430 HydrophobicContact CG-CD1 3.95Å; M131-F430 HydrophobicContact CG-CE1 3.59Å; M131-F430 HydrophobicContact CG-CZ 4.28Å; M131-F430 HydrophobicContact SD-CE1 3.7Å; M131-F430 HydrophobicContact SD-CZ 4.2Å; N267-F430 PolarHBondContact ND2-O 2.89Å; F412-F430 HydrophobicContact CE1-CB 3.87Å; F412-F430 HydrophobicContact CE1-CD1 4.44Å; F412-F430 HydrophobicContact CE1-CD2 4.22Å; F412-F430 AromaticContact CE1-CG 3.92Å; F412-F430 HydrophobicContact CE1-CG 3.92Å; F412-F430 HydrophobicContact CZ-CD1 4.49Å; F412-F430 HydrophobicContact CZ-CG 4.41Å; P413-F430 WeakPolarHBondContact O-CD2 3.21Å; P413-F430 WeakPolarHBondContact O-CE2 3.47Å; V414-F430 PolarHBondContact O-N 3.41Å; I416-F430 HydrophobicContact CD1-CE2 4.14Å; I416-F430 HydrophobicContact CG1-CE2 4.36Å; I428-F430 HydrophobicContact CG2-CE1 4.36Å; I428-F430 HydrophobicContact CG2-CE2 3.83Å; I428-F430 HydrophobicContact CG2-CZ 3.75Å
431	G	85.3	Confident	67.4	Low	6 Å²	6	72 Å²	72	6%	0.062	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	-179.2	-170.4	0	0	0	0	0	113.2	E130 V433	E130-G431 PolarHBondContact N-O 3.34Å; E130-G431 PolarHBondContact O-N 2.84Å; G431-V433 PolarHBondContact O-N 3.01Å
432	N	81	Confident	66.1	Low	59 Å²	59	74 Å²	74	32%	0.316	37%	0.371	S	S	.	.			trans	50.6	28.3	178.7	-145.2	18.9	0	0	0	115.2	Y128 E130 N434 K435	Y128-N432 VanDerWaalsContact CD1-O 3.24Å; Y128-N432 WeakPolarHBondContact CD1-O 3.17Å; Y128-N432 HydrophobicContact CE1-CB 4.35Å; Y128-N432 WeakPolarHBondContact CE1-O 3.35Å; E130-N432 HydrophobicContact CB-CB 4.11Å; E130-N432 VanDerWaalsContact CD-CB 3.49Å; E130-N432 VanDerWaalsContact CD-ND2 3.33Å; E130-N432 HydrophobicContact CG-CB 3.82Å; E130-N432 PolarHBondContact OE1-ND2 2.92Å; N432-N434 PolarHBondContact O-N 3.35Å; N432-K435 PolarHBondContact O-N 3.48Å; N432-K435 VanDerWaalsContact OD1-CB 3.26Å; N432-K435 WeakPolarHBondContact OD1-CB 3.4Å; N432-K435 VanDerWaalsContact OD1-CD 3.27Å; N432-K435 WeakPolarHBondContact OD1-CD 3.49Å
433	V	80.4	Confident	65.1	Low	12 Å²	12	69.9 Å²	69.9	7%	0.073	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	127.4	-172.1	-179	0	0	0	0	111.3	Y128 M129 P376 L377 G431 K435	Y128-V433 CarbonylContact O-C 3.56Å; Y128-V433 VanDerWaalsContact O-CA 3.24Å; Y128-V433 WeakPolarHBondContact O-CA 3.17Å; Y128-V433 WeakPolarHBondContact O-CG1 3.4Å; M129-V433 HydrophobicContact CB-CG2 4.44Å; P376-V433 HydrophobicContact CG-CB 4.17Å; P376-V433 HydrophobicContact CG-CG1 3.67Å; L377-V433 HydrophobicContact CD1-CG1 3.8Å; L377-V433 HydrophobicContact CD1-CG2 4.26Å; L377-V433 HydrophobicContact CD2-CG1 3.97Å; L377-V433 HydrophobicContact CG-CG1 3.71Å; G431-V433 PolarHBondContact O-N 3.01Å; V433-K435 PolarHBondContact O-N 3.46Å
434	N	79.4	Confident	63.8	Low	41 Å²	41	73.7 Å²	73.7	22%	0.219	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	19.3	177	-61.3	-14.6	0	0	0	115.1	F127 Y128 N432 F462	F127-N434 WeakPolarHBondContact CA-OD1 3.12Å; Y128-N434 PolarHBondContact N-OD1 3.1Å; Y128-N434 PolarHBondContact O-N 2.87Å; Y128-N434 PolarHBondContact O-OD1 3.43Å; N432-N434 PolarHBondContact O-N 3.35Å; N434-F462 HydrophobicContact CB-CB 4.16Å; N434-F462 HydrophobicContact CB-CD1 4.13Å; N434-F462 HydrophobicContact CB-CD2 3.55Å; N434-F462 HydrophobicContact CB-CE1 4.43Å; N434-F462 HydrophobicContact CB-CE2 3.92Å; N434-F462 HydrophobicContact CB-CG 3.67Å; N434-F462 HydrophobicContact CB-CZ 4.35Å; N434-F462 WeakPolarHBondContact O-CD2 3.49Å; N434-F462 WeakPolarHBondContact O-CE2 3.32Å; N434-F462 WeakPolarHBondContact OD1-CD1 3.38Å; N434-F462 WeakPolarHBondContact OD1-CE1 3.47Å
435	K	69.1	Low	62.1	Low	146 Å²	146	77.1 Å²	77.1	64%	0.635	42%	0.42	S	S	*	.			trans	-89	-20.2	178.1	-69.8	-173.1	-178.9	177.5	0	113.4	N432 V433 R437	N432-K435 PolarHBondContact O-N 3.48Å; N432-K435 VanDerWaalsContact OD1-CB 3.26Å; N432-K435 WeakPolarHBondContact OD1-CB 3.4Å; N432-K435 VanDerWaalsContact OD1-CD 3.27Å; N432-K435 WeakPolarHBondContact OD1-CD 3.49Å; V433-K435 PolarHBondContact O-N 3.46Å; K435-R437 PolarHBondContact O-N 2.74Å
436	C	54.3	Low	60.1	Low	36 Å²	36	80.6 Å²	80.6	24%	0.243	45%	0.446	C	S	.	.			trans	-83.6	92.6	174	-166.9	0	0	0	0	109.4	Y128 F462	Y128-C436 HydrophobicContact CD1-CB 3.66Å; Y128-C436 HydrophobicContact CE1-CB 3.64Å; Y128-C436 HydrophobicContact CG-CB 4.13Å; C436-F462 WeakPolarHBondContact O-CE2 3.44Å; C436-F462 WeakPolarHBondContact O-CZ 3.26Å
437	R	51.8	Low	57.4	Low	173 Å²	173	86.4 Å²	86.4	65%	0.653	48%	0.479	S	S	*	.			trans	-85.8	104.6	161.7	-71.9	-177.3	176.2	178.2	-2.4	106.9	K435 E439 E440	K435-R437 PolarHBondContact O-N 2.74Å; R437-E439 PolarHBondContact O-N 3.06Å; R437-E440 PolarHBondContact O-N 2.98Å
438	T	50	Low	54.8	Low	40 Å²	40	88.5 Å²	88.5	25%	0.245	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	15.4	-179.6	24	0	0	0	0	115.1	C465 V468	T438-C465 VanDerWaalsContact OG1-CB 3.32Å; T438-C465 WeakPolarHBondContact OG1-CB 3.23Å; T438-C465 PolarHBondContact OG1-SG 3.19Å; T438-V468 HydrophobicContact CG2-CG2 3.97Å
439	E	40.4	Very low	52.1	Low	156 Å²	156	90.5 Å²	90.5	73%	0.729	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-20.8	171	-67.1	-174	163.9	0	0	112.9	R437	R437-E439 PolarHBondContact O-N 3.06Å
440	E	39.7	Very low	49.2	Very low	165 Å²	165	97.1 Å²	97.1	77%	0.771	56%	0.556	S	S	*	*	S	Bend	trans	-90.4	-20.6	-174.8	-81.9	-177.1	152.3	0	0	115.4	R437	R437-E440 PolarHBondContact O-N 2.98Å
441	E	38.3	Very low	46.8	Very low	175 Å²	175	104.1 Å²	104.1	82%	0.818	59%	0.589	S	S	*	*	S	Bend	trans	-85.1	-13.4	179	-85.1	-174.3	155.5	0	0	114.2
442	A	33.2	Very low	44.2	Very low	97 Å²	97	110.8 Å²	110.8	80%	0.802	62%	0.624	S	S	*	*	S	Bend	trans	-87.7	-11.1	177.5	0	0	0	0	0	113.9
443	A	33.3	Very low	41.7	Very low	71 Å²	71	115.2 Å²	115.2	59%	0.587	65%	0.647	S	S	*	*			trans	-128.1	18.3	-169.5	0	0	0	0	0	115	T445	A443-T445 PolarHBondContact O-N 3.37Å
444	A	30.1	Very low	39.6	Very low	94 Å²	94	123.1 Å²	123.1	78%	0.777	69%	0.689	S	S	*	*			trans	-72.6	76.3	175	0	0	0	0	0	111.9
445	T	27.5	Very low	37.4	Very low	120 Å²	120	126.6 Å²	126.6	74%	0.736	71%	0.712	S	S	*	*			trans	-106.7	127.9	151.9	-11.9	0	0	0	0	106.4	A443 T447	A443-T445 PolarHBondContact O-N 3.37Å; T445-T447 PolarHBondContact O-N 2.89Å
446	P	32.6	Very low	35.7	Very low	125 Å²	125	124.4 Å²	124.4	81%	0.812	72%	0.721	S	S	*	*			trans	-81.7	114.6	-172.2	31.9	-30	0	0	0	109.2
447	T	25.2	Very low	34.8	Very low	140 Å²	140	128.7 Å²	128.7	86%	0.859	75%	0.746	S	S	*	*			trans	-135.9	135.4	156.6	29.9	0	0	0	0	110	T445	T445-T447 PolarHBondContact O-N 2.89Å
448	S	30.5	Very low	34	Very low	104 Å²	104	124.6 Å²	124.6	73%	0.727	75%	0.749	S	S	*	*			trans	-69.1	154.9	-165.6	48.8	0	0	0	0	115.7
449	S	32	Very low	33.8	Very low	92 Å²	92	129.2 Å²	129.2	64%	0.643	78%	0.778	S	S	*	*			trans	61.3	113.2	144.8	61.3	0	0	0	0	118.4
450	D	29.3	Very low	34.5	Very low	161 Å²	161	126.7 Å²	126.7	86%	0.861	77%	0.773	S	S	*	*				-174.4	153.8	89.5	-94.1	-29.3	0	0	0	111.9
451	E	38.8	Very low	35.7	Very low	173 Å²	173	124.3 Å²	124.3	81%	0.808	77%	0.772	S	S	*	*			trans	-75.1	160.1	-179.5	-64.8	178.3	143.6	0	0	113.4
452	N	31.6	Very low	37.6	Very low	147 Å²	147	117.8 Å²	117.8	79%	0.786	74%	0.741	S	S	*	*			trans	83.7	108.1	167.1	-58.8	-34.3	0	0	0	117.2
453	D	29	Very low	39.7	Very low	152 Å²	152	120.2 Å²	120.2	81%	0.813	74%	0.735	S	S	*	*				-157.7	112.8	120.7	-102.1	-22.6	0	0	0	110.9	V455	D453-V455 HydrophobicContact CB-CG2 4.34Å; D453-V455 PolarHBondContact O-N 2.92Å; D453-V455 VanDerWaalsContact O-N 3.1Å
454	D	35.4	Very low	42	Very low	178 Å²	178	116.9 Å²	116.9	95%	0.952	71%	0.708	S	S	*	*			trans	-62.1	98.5	160.4	-90.3	-44.9	0	0	0	108.5
455	V	32.3	Very low	44.4	Very low	114 Å²	114	113.9 Å²	113.9	69%	0.691	68%	0.681	S	S	*	*			trans	-123.6	119.1	166	-179.4	0	0	0	0	108.3	D453 T457	D453-V455 HydrophobicContact CB-CG2 4.34Å; D453-V455 PolarHBondContact O-N 2.92Å; D453-V455 VanDerWaalsContact O-N 3.1Å; V455-T457 PolarHBondContact O-N 3.45Å
456	A	34.3	Very low	47.1	Very low	99 Å²	99	112.6 Å²	112.6	82%	0.818	68%	0.675	S	S	*	*			trans	-45.7	105.9	174.3	0	0	0	0	0	111	A458	A456-A458 VanDerWaalsContact C-N 3.35Å; A456-A458 PolarHBondContact O-N 2.98Å
457	T	35.7	Very low	49.6	Very low	126 Å²	126	110.4 Å²	110.4	77%	0.773	66%	0.662	S	S	*	*			trans	-67.2	94.3	172.9	39.2	0	0	0	0	108.7	V455 T459	V455-T457 PolarHBondContact O-N 3.45Å; T457-T459 PolarHBondContact O-N 3.11Å
458	A	34.6	Very low	52.5	Low	88 Å²	88	104.4 Å²	104.4	73%	0.727	63%	0.625	S	S	*	*			trans	-55.1	110.3	149.6	0	0	0	0	0	106	A456 T460	A456-A458 VanDerWaalsContact C-N 3.35Å; A456-A458 PolarHBondContact O-N 2.98Å; A458-T460 VanDerWaalsContact C-N 3.32Å; A458-T460 PolarHBondContact O-N 3.2Å
459	T	45.9	Very low	55.3	Low	137 Å²	137	99.8 Å²	99.8	84%	0.84	59%	0.592	S	S	*	*			trans	-61.2	92.6	-174.7	-36.5	0	0	0	0	108.8	T457	T457-T459 PolarHBondContact O-N 3.11Å
460	T	54.2	Low	58	Low	102 Å²	102	101.6 Å²	101.6	63%	0.626	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-62.2	134.9	168.3	45.7	0	0	0	0	107.4	A458 F462	A458-T460 VanDerWaalsContact C-N 3.32Å; A458-T460 PolarHBondContact O-N 3.2Å; T460-F462 PolarHBondContact O-N 2.83Å
461	P	66.8	Low	60.7	Low	116 Å²	116	94.8 Å²	94.8	75%	0.753	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-57.8	138.2	176.5	23.8	-31.6	0	0	0	108.9	Q463	P461-Q463 PolarHBondContact O-N 3.48Å
462	F	76.3	Confident	62.9	Low	37 Å²	37	88.6 Å²	88.6	16%	0.162	53%	0.529	C	S	.	.	P	Polyproline II helix	trans	-56.3	128.3	176.2	174.9	-96.5	0	0	0	109.1	N434 C436 T460 V464	N434-F462 HydrophobicContact CB-CB 4.16Å; N434-F462 HydrophobicContact CB-CD1 4.13Å; N434-F462 HydrophobicContact CB-CD2 3.55Å; N434-F462 HydrophobicContact CB-CE1 4.43Å; N434-F462 HydrophobicContact CB-CE2 3.92Å; N434-F462 HydrophobicContact CB-CG 3.67Å; N434-F462 HydrophobicContact CB-CZ 4.35Å; N434-F462 WeakPolarHBondContact O-CD2 3.49Å; N434-F462 WeakPolarHBondContact O-CE2 3.32Å; N434-F462 WeakPolarHBondContact OD1-CD1 3.38Å; N434-F462 WeakPolarHBondContact OD1-CE1 3.47Å; C436-F462 WeakPolarHBondContact O-CE2 3.44Å; C436-F462 WeakPolarHBondContact O-CZ 3.26Å; T460-F462 PolarHBondContact O-N 2.83Å; F462-V464 HydrophobicContact CD1-CG2 4.37Å; F462-V464 HydrophobicContact CE1-CG2 3.56Å; F462-V464 HydrophobicContact CZ-CG2 4.25Å
463	Q	78	Confident	65.3	Low	148 Å²	148	88.2 Å²	88.2	69%	0.692	54%	0.535	S	S	*	.			trans	-124.2	130.4	-178.5	-170.8	173.2	12.8	0	0	109.3	P461	P461-Q463 PolarHBondContact O-N 3.48Å
464	V	81.2	Confident	68	Low	2 Å²	2	86.6 Å²	86.6	1%	0.012	53%	0.526	C	S	.	.			trans	-85.7	136.3	175	178.9	0	0	0	0	108.9	W154 F462 V468 F469	W154-V464 HydrophobicContact CB-CG1 4.22Å; W154-V464 HydrophobicContact CG-CG1 4.42Å; F462-V464 HydrophobicContact CD1-CG2 4.37Å; F462-V464 HydrophobicContact CE1-CG2 3.56Å; F462-V464 HydrophobicContact CZ-CG2 4.25Å; V464-V468 HydrophobicContact CG1-CB 4.26Å; V464-V468 HydrophobicContact CG1-CG2 4.25Å; V464-F469 HydrophobicContact CG1-CE2 3.83Å; V464-F469 HydrophobicContact CG1-CZ 4.07Å
465	C	81.8	Confident	70.6	Confident	30 Å²	30	80.1 Å²	80.1	20%	0.203	49%	0.489	C	S	.	.			trans	-65.3	129.7	175.6	-68.6	0	0	0	0	110.6	T438 S467 V468	T438-C465 VanDerWaalsContact OG1-CB 3.32Å; T438-C465 WeakPolarHBondContact OG1-CB 3.23Å; T438-C465 PolarHBondContact OG1-SG 3.19Å; C465-S467 PolarHBondContact O-N 3.16Å; C465-S467 VanDerWaalsContact O-N 3.09Å; C465-V468 HydrophobicContact CB-CG2 4.43Å; C465-V468 WeakPolarHBondContact O-CB 3.43Å; C465-V468 WeakPolarHBondContact O-CG2 2.97Å; C465-V468 PolarHBondContact O-N 2.94Å; C465-V468 VanDerWaalsContact O-N 3.07Å
466	P	83.3	Confident	73.1	Confident	94 Å²	94	81.3 Å²	81.3	61%	0.61	49%	0.487	S	S	*	.	G	3₁₀ helix	trans	-57.9	-26.8	179.8	-27.8	35.5	0	0	0	114.5	V468 F469	P466-V468 PolarHBondContact O-N 3.49Å; P466-F469 PolarHBondContact O-N 3.08Å; P466-F469 VanDerWaalsContact O-N 3.07Å
467	S	84.8	Confident	75.5	Confident	78 Å²	78	84 Å²	84	55%	0.545	48%	0.476	S	S	.	.	G	3₁₀ helix	trans	-59.7	-23.8	177.2	55.5	0	0	0	0	113.6	C465 F469 E470	C465-S467 PolarHBondContact O-N 3.16Å; C465-S467 VanDerWaalsContact O-N 3.09Å; S467-F469 PolarHBondContact O-N 3.21Å; S467-E470 PolarHBondContact O-N 2.79Å
468	V	86.9	Confident	77.6	Confident	14 Å²	14	86 Å²	86	9%	0.085	47%	0.469	C	S	.	.	G	3₁₀ helix	trans	-62.4	-26.2	176.4	175.5	0	0	0	0	111.5	W154 R161 T438 V464 C465 P466	W154-V468 HydrophobicContact CB-CG1 4.19Å; W154-V468 HydrophobicContact CD2-CG1 3.92Å; W154-V468 HydrophobicContact CG-CG1 3.77Å; R161-V468 WeakPolarHBondContact CD-O 3.43Å; R161-V468 PolarHBondContact NH1-O 3.45Å; T438-V468 HydrophobicContact CG2-CG2 3.97Å; V464-V468 HydrophobicContact CG1-CB 4.26Å; V464-V468 HydrophobicContact CG1-CG2 4.25Å; C465-V468 HydrophobicContact CB-CG2 4.43Å; C465-V468 WeakPolarHBondContact O-CB 3.43Å; C465-V468 WeakPolarHBondContact O-CG2 2.97Å; C465-V468 PolarHBondContact O-N 2.94Å; C465-V468 VanDerWaalsContact O-N 3.07Å; P466-V468 PolarHBondContact O-N 3.49Å
469	F	89.3	Confident	78.5	Confident	8 Å²	8	85.7 Å²	85.7	4%	0.035	47%	0.474	C	S	.	.	G	3₁₀ helix	trans	-94.4	3.6	177.9	-51.1	-81.3	0	0	0	112.6	W154 S156 R161 I182 K184 V464 P466 S467	W154-F469 HydrophobicContact CB-CE1 4.33Å; W154-F469 HydrophobicContact CB-CZ 4.16Å; S156-F469 VanDerWaalsContact CB-CE2 3.47Å; R161-F469 HydrophobicContact CB-CD1 3.93Å; R161-F469 HydrophobicContact CB-CE1 3.9Å; I182-F469 HydrophobicContact CG2-CB 4.18Å; I182-F469 HydrophobicContact CG2-CD1 4.35Å; K184-F469 WeakPolarHBondContact CE-O 3.15Å; K184-F469 PolarHBondContact NZ-O 3.2Å; V464-F469 HydrophobicContact CG1-CE2 3.83Å; V464-F469 HydrophobicContact CG1-CZ 4.07Å; P466-F469 PolarHBondContact O-N 3.08Å; P466-F469 VanDerWaalsContact O-N 3.07Å; S467-F469 PolarHBondContact O-N 3.21Å
470	E	87.9	Confident	78.7	Confident	129 Å²	129	81 Å²	81	60%	0.603	45%	0.453	S	S	*	.	S	Bend	trans	-94.6	139.5	176.7	-62.5	-156.7	162.5	0	0	111.8	S467	S467-E470 PolarHBondContact O-N 2.79Å
471	V	86	Confident	78.2	Confident	18 Å²	18	82 Å²	82	11%	0.109	46%	0.464	C	S	.	.	P	Polyproline II helix	trans	-74.9	133.7	174.6	169.6	0	0	0	0	109.2	M193 V195 V202 Y475	M193-V471 HydrophobicContact CE-CB 4.42Å; M193-V471 HydrophobicContact CE-CG2 3.32Å; M193-V471 HydrophobicContact SD-CG2 4.05Å; V195-V471 HydrophobicContact CG2-CG2 3.99Å; V202-V471 HydrophobicContact CB-CG1 4.42Å; V202-V471 HydrophobicContact CG1-CG2 4.1Å; V202-V471 HydrophobicContact CG2-CB 4.43Å; V202-V471 HydrophobicContact CG2-CG1 3.44Å; V202-V471 VanDerWaalsContact CG2-CG1 3.44Å; V202-V471 HydrophobicContact CG2-CG2 4.07Å; V471-Y475 HydrophobicContact CG1-CG 4.44Å
472	P	85	Confident	77.1	Confident	43 Å²	43	86.7 Å²	86.7	28%	0.279	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-54.8	138.5	175.9	-25.6	34.1	0	0	0	112.2	N474 Y475	P472-N474 VanDerWaalsContact CB-OD1 3.25Å; P472-N474 WeakPolarHBondContact CB-OD1 3.44Å; P472-N474 PolarHBondContact O-N 3.18Å; P472-N474 VanDerWaalsContact O-N 3.07Å; P472-Y475 HydrophobicContact CB-CD1 3.73Å; P472-Y475 HydrophobicContact CB-CE1 3.78Å; P472-Y475 HydrophobicContact CB-CG 4.33Å; P472-Y475 HydrophobicContact CG-CD1 4.22Å; P472-Y475 HydrophobicContact CG-CE1 3.99Å; P472-Y475 HydrophobicContact CG-CE2 4.46Å; P472-Y475 PolarHBondContact O-N 2.77Å; P472-Y475 VanDerWaalsContact O-N 3.14Å
473	P	82.2	Confident	75.3	Confident	140 Å²	140	91.9 Å²	91.9	91%	0.909	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-17.7	-171	25.6	-34.9	0	0	0	114	Y475	P473-Y475 VanDerWaalsContact C-N 3.32Å
474	N	86.3	Confident	73	Confident	118 Å²	118	90.4 Å²	90.4	63%	0.631	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	2.7	179.5	60.6	-47.3	0	0	0	114.1	P472	P472-N474 VanDerWaalsContact CB-OD1 3.25Å; P472-N474 WeakPolarHBondContact CB-OD1 3.44Å; P472-N474 PolarHBondContact O-N 3.18Å; P472-N474 VanDerWaalsContact O-N 3.07Å
475	Y	89.4	Confident	70.8	Confident	42 Å²	42	95 Å²	95	17%	0.165	52%	0.523	C	S	.	.	S	Bend	trans	-95.9	141.9	-175.5	-75.4	35.5	0	0	0	111.2	V195 H197 G200 V202 V471 P472 P473	V195-Y475 HydrophobicContact CG1-CD2 3.73Å; V195-Y475 HydrophobicContact CG1-CE2 3.57Å; H197-Y475 AromaticContact ND1-CE2 3.42Å; H197-Y475 WeakPolarHBondContact ND1-CE2 3.36Å; H197-Y475 AromaticContact ND1-CZ 3.51Å; H197-Y475 PolarHBondContact ND1-OH 3.41Å; G200-Y475 CarbonylContact O-C 3.54Å; G200-Y475 VanDerWaalsContact O-CA 3.24Å; G200-Y475 WeakPolarHBondContact O-CA 3.17Å; G200-Y475 WeakPolarHBondContact O-CB 3.19Å; V202-Y475 HydrophobicContact CG2-CD2 3.96Å; V471-Y475 HydrophobicContact CG1-CG 4.44Å; P472-Y475 HydrophobicContact CB-CD1 3.73Å; P472-Y475 HydrophobicContact CB-CE1 3.78Å; P472-Y475 HydrophobicContact CB-CG 4.33Å; P472-Y475 HydrophobicContact CG-CD1 4.22Å; P472-Y475 HydrophobicContact CG-CE1 3.99Å; P472-Y475 HydrophobicContact CG-CE2 4.46Å; P472-Y475 PolarHBondContact O-N 2.77Å; P472-Y475 VanDerWaalsContact O-N 3.14Å; P473-Y475 VanDerWaalsContact C-N 3.32Å
476	H	86.3	Confident	68.6	Low	139 Å²	139	100.1 Å²	100.1	64%	0.644	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.4	121.8	-178.8	-62	85.4	0	0	0	110.3	G200 V201 V202	G200-H476 PolarHBondContact O-N 2.81Å; V201-H476 CarbonylContact C-O 3.56Å; V201-H476 WeakPolarHBondContact CA-O 3.38Å; V202-H476 PolarHBondContact N-O 3.2Å
477	R	83.3	Confident	66.4	Low	156 Å²	156	99 Å²	99	59%	0.589	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	115.5	175.4	-63.4	-172.5	-174.6	-170.6	0.9	110.1	V202 G479	V202-R477 HydrophobicContact CB-CG 4.46Å; V202-R477 CarbonylContact O-C 3.57Å; V202-R477 WeakPolarHBondContact O-CA 3.41Å; R477-G479 PolarHBondContact O-N 2.98Å
478	R	79.8	Confident	64.3	Low	168 Å²	168	96.9 Å²	96.9	63%	0.634	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	103.4	170.4	-178.1	178.1	-81.4	176.5	-2.7	107.1	V201 V202 D203 G480	V201-R478 HydrophobicContact CG1-CB 4.28Å; V202-R478 PolarHBondContact O-N 3.23Å; D203-R478 WeakPolarHBondContact OD1-CB 3.33Å; D203-R478 WeakPolarHBondContact OD1-CD 3.43Å; R478-G480 PolarHBondContact O-N 2.8Å
479	G	54.6	Low	62.3	Low	80 Å²	80	98.7 Å²	98.7	83%	0.825	53%	0.531	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	106.9	174.8	0	0	0	0	0	109.8	R477	R477-G479 PolarHBondContact O-N 2.98Å
480	G	48.7	Very low	60.4	Low	40 Å²	40	101 Å²	101	41%	0.412	54%	0.544	S	S	.	.			trans	-128.4	89.7	179	0	0	0	0	0	111.3	R478 R482	R478-G480 PolarHBondContact O-N 2.8Å; G480-R482 PolarHBondContact O-N 3.43Å
481	S	45.1	Very low	58.4	Low	122 Å²	122	97.8 Å²	97.8	85%	0.853	53%	0.531	S	S	*	.			trans	-70	90.9	153	177.6	0	0	0	0	106.6
482	R	42.3	Very low	56.7	Low	214 Å²	214	99.2 Å²	99.2	81%	0.808	54%	0.537	S	S	*	.			trans	-139.4	101	166.3	-98.1	-176.5	157.1	-177.2	-7.7	107	G480 T484	G480-R482 PolarHBondContact O-N 3.43Å; R482-T484 PolarHBondContact O-N 3.2Å
483	H	39.3	Very low	54.6	Low	147 Å²	147	101.3 Å²	101.3	68%	0.681	55%	0.545	S	S	*	.			trans	-53.2	97.4	153.7	-73.3	-83.2	0	0	0	107.5
484	T	30.6	Very low	52.8	Low	116 Å²	116	96.9 Å²	96.9	71%	0.712	51%	0.513	S	S	*	.			trans	-87.9	108.3	138.7	-27.9	0	0	0	0	102	R482 M486	R482-T484 PolarHBondContact O-N 3.2Å; T484-M486 PolarHBondContact O-N 3.47Å
485	P	34.4	Very low	50.8	Low	100 Å²	100	94.8 Å²	94.8	65%	0.649	50%	0.5	S	S	*	.			trans	-49.9	122.1	167.3	21.3	-29.3	0	0	0	105.2	S487	P485-S487 VanDerWaalsContact C-N 3.28Å; P485-S487 WeakPolarHBondContact O-CA 3.26Å; P485-S487 PolarHBondContact O-N 3.04Å
486	M	35.4	Very low	48.5	Very low	137 Å²	137	99.2 Å²	99.2	68%	0.675	52%	0.517	S	S	*	.			trans	-47.6	107.8	172.8	-78.5	-173.4	85.7	0	0	104.9	T484 N488	T484-M486 PolarHBondContact O-N 3.47Å; M486-N488 PolarHBondContact O-N 2.94Å
487	S	37.1	Very low	46.3	Very low	69 Å²	69	94.9 Å²	94.9	48%	0.483	51%	0.506	S	S	.	.			trans	-64.7	130.2	-167.1	-173	0	0	0	0	105.5	P485 N489 D490	P485-S487 VanDerWaalsContact C-N 3.28Å; P485-S487 WeakPolarHBondContact O-CA 3.26Å; P485-S487 PolarHBondContact O-N 3.04Å; S487-N489 PolarHBondContact O-N 3.45Å; S487-N489 WeakPolarHBondContact OG-CB 3.46Å; S487-N489 PolarHBondContact OG-N 3.43Å; S487-D490 PolarHBondContact O-N 3.47Å; S487-D490 VanDerWaalsContact O-N 3.1Å
488	N	40.7	Very low	44.4	Very low	34 Å²	34	90.7 Å²	90.7	18%	0.182	49%	0.494	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-3.7	168	-84.6	-39.6	0	0	0	112.4	R102 D103 K106 M486 D490 D491	R102-N488 PolarHBondContact NH2-ND2 2.91Å; D103-N488 PolarHBondContact OD1-ND2 3.26Å; K106-N488 PolarHBondContact NZ-OD1 3.08Å; M486-N488 PolarHBondContact O-N 2.94Å; N488-D490 PolarHBondContact O-N 3.1Å; N488-D491 PolarHBondContact O-N 3.02Å
489	N	45.1	Very low	42.5	Very low	53 Å²	53	85.9 Å²	85.9	28%	0.283	48%	0.478	S	S	.	.	H	α-helix	trans	-60.4	-11	167.6	-152.9	50.1	0	0	0	114.1	K230 S487 D491 E492 L493	K230-N489 PolarHBondContact NZ-OD1 3.43Å; K230-N489 VanDerWaalsContact NZ-OD1 3.08Å; S487-N489 PolarHBondContact O-N 3.45Å; S487-N489 WeakPolarHBondContact OG-CB 3.46Å; S487-N489 PolarHBondContact OG-N 3.43Å; N489-D491 VanDerWaalsContact C-N 3.29Å; N489-D491 PolarHBondContact O-N 3.21Å; N489-E492 CarbonylContact O-C 3.54Å; N489-E492 PolarHBondContact O-N 3.26Å; N489-E492 PolarHBondContact OD1-OE2 3.11Å; N489-L493 HydrophobicContact CB-CD1 4.5Å; N489-L493 WeakPolarHBondContact O-CB 3.3Å; N489-L493 WeakPolarHBondContact O-CD1 3.32Å; N489-L493 VanDerWaalsContact O-CG 3.3Å; N489-L493 WeakPolarHBondContact O-CG 3.16Å; N489-L493 PolarHBondContact O-N 3.36Å
490	D	48.6	Very low	41.8	Very low	56 Å²	56	83.9 Å²	83.9	30%	0.299	45%	0.448	S	S	.	.	H	α-helix	trans	-63.8	-32.1	173.6	-72.6	-14.4	0	0	0	113.1	H396 S487 N488 L494	H396-D490 PolarHBondContact CE1-O 3.3Å; H396-D490 VanDerWaalsContact CE1-O 3.32Å; H396-D490 PolarHBondContact NE2-O 3.16Å; S487-D490 PolarHBondContact O-N 3.47Å; S487-D490 VanDerWaalsContact O-N 3.1Å; N488-D490 PolarHBondContact O-N 3.1Å; D490-L494 WeakPolarHBondContact O-CB 3.2Å; D490-L494 PolarHBondContact O-N 3.17Å
491	D	47	Very low	41.4	Very low	61 Å²	61	85.4 Å²	85.4	33%	0.326	45%	0.452	S	S	.	.	H	α-helix	trans	-71.1	-39.2	176	-70	-5.6	0	0	0	110.7	S395 H396 N488 N489 Q495	S395-D491 WeakPolarHBondContact CB-OD1 3.43Å; S395-D491 VanDerWaalsContact OG-CG 3.32Å; S395-D491 PolarHBondContact OG-OD1 3.02Å; H396-D491 IonicContact CE1-OD1 2.61Å; N488-D491 PolarHBondContact O-N 3.02Å; N489-D491 VanDerWaalsContact C-N 3.29Å; N489-D491 PolarHBondContact O-N 3.21Å; D491-Q495 WeakPolarHBondContact O-CB 3.5Å; D491-Q495 PolarHBondContact O-N 3.46Å
492	E	48.6	Very low	41.3	Very low	49 Å²	49	81 Å²	81	23%	0.229	42%	0.419	C	S	.	.	H	α-helix	trans	-75.2	-34	176.2	-65.6	179.4	-166.9	0	0	111.5	K230 R231 N489 Q495 Y496	K230-E492 WeakPolarHBondContact CE-OE2 3.33Å; K230-E492 IonicContact NZ-OE2 3.47Å; K230-E492 PolarHBondContact NZ-OE2 2.75Å; R231-E492 IonicContact NH2-OE1 2.72Å; N489-E492 CarbonylContact O-C 3.54Å; N489-E492 PolarHBondContact O-N 3.26Å; N489-E492 PolarHBondContact OD1-OE2 3.11Å; E492-Q495 PolarHBondContact O-N 3.28Å; E492-Y496 WeakPolarHBondContact O-CA 3.34Å; E492-Y496 WeakPolarHBondContact O-CB 3.41Å; E492-Y496 PolarHBondContact O-N 3.47Å
493	L	41.9	Very low	41.1	Very low	87 Å²	87	71.6 Å²	71.6	46%	0.455	38%	0.384	S	S	.	.	H	α-helix	trans	-69.6	-39.4	173.2	-84.7	159.3	0	0	0	111.4	N489 Y496 A497	N489-L493 HydrophobicContact CB-CD1 4.5Å; N489-L493 WeakPolarHBondContact O-CB 3.3Å; N489-L493 WeakPolarHBondContact O-CD1 3.32Å; N489-L493 VanDerWaalsContact O-CG 3.3Å; N489-L493 WeakPolarHBondContact O-CG 3.16Å; N489-L493 PolarHBondContact O-N 3.36Å; L493-Y496 CarbonylContact O-C 3.24Å; L493-A497 WeakPolarHBondContact O-CA 3.39Å; L493-A497 WeakPolarHBondContact O-CB 3.5Å; L493-A497 PolarHBondContact O-N 3.41Å
494	L	44.7	Very low	41.1	Very low	46 Å²	46	67.2 Å²	67.2	24%	0.241	37%	0.366	C	S	.	.	H	α-helix	trans	-70.3	-44	169.9	176.9	75.2	0	0	0	110.6	H396 D490 Y496 A497 I498	H396-L494 WeakPolarHBondContact CE1-CB 3.23Å; H396-L494 WeakPolarHBondContact CE1-CD2 3.37Å; H396-L494 WeakPolarHBondContact ND1-CD2 3.32Å; H396-L494 VanDerWaalsContact NE2-CB 3.33Å; H396-L494 WeakPolarHBondContact NE2-CB 3.5Å; D490-L494 WeakPolarHBondContact O-CB 3.2Å; D490-L494 PolarHBondContact O-N 3.17Å; L494-Y496 PolarHBondContact O-N 3.33Å; L494-A497 CarbonylContact O-C 3.56Å; L494-A497 PolarHBondContact O-N 3.22Å; L494-I498 HydrophobicContact CD1-CD1 3.89Å; L494-I498 HydrophobicContact CD1-CG1 3.81Å; L494-I498 HydrophobicContact CD2-CD1 3.67Å; L494-I498 HydrophobicContact CD2-CG1 4.48Å; L494-I498 HydrophobicContact CG-CD1 3.59Å; L494-I498 HydrophobicContact CG-CG1 3.87Å; L494-I498 VanDerWaalsContact O-CB 3.29Å; L494-I498 WeakPolarHBondContact O-CB 3.35Å; L494-I498 VanDerWaalsContact O-CG1 3.3Å; L494-I498 WeakPolarHBondContact O-CG1 3.33Å; L494-I498 PolarHBondContact O-N 2.9Å
495	Q	43.1	Very low	41.7	Very low	74 Å²	74	64.6 Å²	64.6	35%	0.346	35%	0.353	S	S	.	.	H	α-helix	trans	-61.6	-38.6	178.7	-169.2	-179.3	-47.8	0	0	110.2	V237 D491 E492 H499	V237-Q495 VanDerWaalsContact CG2-NE2 3.3Å; D491-Q495 WeakPolarHBondContact O-CB 3.5Å; D491-Q495 PolarHBondContact O-N 3.46Å; E492-Q495 PolarHBondContact O-N 3.28Å; Q495-H499 WeakPolarHBondContact O-CB 3.22Å; Q495-H499 PolarHBondContact O-N 3.2Å
496	Y	42.4	Very low	42	Very low	135 Å²	135	62 Å²	62	53%	0.529	33%	0.331	S	S	.	.	H	α-helix	trans	-67.2	-38.8	170.3	-178.3	-98.9	0	0	0	111.9	E492 L493 L494 H499 Q500	E492-Y496 WeakPolarHBondContact O-CA 3.34Å; E492-Y496 WeakPolarHBondContact O-CB 3.41Å; E492-Y496 PolarHBondContact O-N 3.47Å; L493-Y496 CarbonylContact O-C 3.24Å; L494-Y496 PolarHBondContact O-N 3.33Å; Y496-H499 CarbonylContact O-C 3.51Å; Y496-H499 PolarHBondContact O-N 2.72Å; Y496-Q500 HydrophobicContact CD1-CG 3.74Å; Y496-Q500 HydrophobicContact CD2-CG 4.08Å; Y496-Q500 HydrophobicContact CE1-CG 3.38Å; Y496-Q500 HydrophobicContact CE2-CG 3.74Å; Y496-Q500 VanDerWaalsContact CE2-NE2 3.26Å; Y496-Q500 HydrophobicContact CG-CG 4.08Å; Y496-Q500 VanDerWaalsContact CZ-NE2 3.25Å; Y496-Q500 WeakPolarHBondContact O-CA 3.24Å; Y496-Q500 WeakPolarHBondContact O-CB 3.4Å; Y496-Q500 WeakPolarHBondContact O-CG 3.37Å; Y496-Q500 PolarHBondContact O-N 3.36Å; Y496-Q500 PolarHBondContact OH-NE2 2.92Å
497	A	38.8	Very low	42.1	Very low	49 Å²	49	64.9 Å²	64.9	41%	0.405	34%	0.335	S	S	.	.	H	α-helix	trans	-76.2	-33.3	179.6	0	0	0	0	0	112.3	L493 L494 S501	L493-A497 WeakPolarHBondContact O-CA 3.39Å; L493-A497 WeakPolarHBondContact O-CB 3.5Å; L493-A497 PolarHBondContact O-N 3.41Å; L494-A497 CarbonylContact O-C 3.56Å; L494-A497 PolarHBondContact O-N 3.22Å; A497-S501 WeakPolarHBondContact O-CA 3.44Å; A497-S501 WeakPolarHBondContact O-CB 3.4Å; A497-S501 PolarHBondContact O-N 2.61Å
498	I	43.4	Very low	42	Very low	68 Å²	68	65.6 Å²	65.6	35%	0.349	35%	0.353	S	S	.	.	H	α-helix	trans	-66.2	-50.6	168.1	-71.5	175.7	0	0	0	107.5	L494 S501 L502	L494-I498 HydrophobicContact CD1-CD1 3.89Å; L494-I498 HydrophobicContact CD1-CG1 3.81Å; L494-I498 HydrophobicContact CD2-CD1 3.67Å; L494-I498 HydrophobicContact CD2-CG1 4.48Å; L494-I498 HydrophobicContact CG-CD1 3.59Å; L494-I498 HydrophobicContact CG-CG1 3.87Å; L494-I498 VanDerWaalsContact O-CB 3.29Å; L494-I498 WeakPolarHBondContact O-CB 3.35Å; L494-I498 VanDerWaalsContact O-CG1 3.3Å; L494-I498 WeakPolarHBondContact O-CG1 3.33Å; L494-I498 PolarHBondContact O-N 2.9Å; I498-S501 PolarHBondContact O-N 2.95Å; I498-L502 HydrophobicContact CG2-CD1 3.77Å; I498-L502 HydrophobicContact CG2-CG 4.46Å; I498-L502 WeakPolarHBondContact O-CB 3.27Å; I498-L502 WeakPolarHBondContact O-CD1 3.46Å; I498-L502 WeakPolarHBondContact O-CG 3.3Å; I498-L502 PolarHBondContact O-N 3.44Å
499	H	41.1	Very low	41.7	Very low	66 Å²	66	67.7 Å²	67.7	31%	0.306	37%	0.371	S	S	.	.	H	α-helix	trans	-57.2	-58.6	177	-167.6	-107.4	0	0	0	109.8	Q495 Y496 S501 L502 L503	Q495-H499 WeakPolarHBondContact O-CB 3.22Å; Q495-H499 PolarHBondContact O-N 3.2Å; Y496-H499 CarbonylContact O-C 3.51Å; Y496-H499 PolarHBondContact O-N 2.72Å; H499-S501 PolarHBondContact O-N 2.97Å; H499-L502 CarbonylContact O-C 3.6Å; H499-L502 VanDerWaalsContact O-C 3.24Å; H499-L502 WeakPolarHBondContact O-CA 3.36Å; H499-L502 WeakPolarHBondContact O-CB 3.31Å; H499-L502 PolarHBondContact O-N 3.13Å; H499-L503 VanDerWaalsContact CE1-CD1 3.47Å; H499-L503 WeakPolarHBondContact CE1-CD1 3.45Å; H499-L503 WeakPolarHBondContact ND1-CD1 3.49Å; H499-L503 WeakPolarHBondContact O-CD2 3.2Å; H499-L503 WeakPolarHBondContact O-CG 3.48Å; H499-L503 PolarHBondContact O-N 2.89Å
500	Q	39.7	Very low	40.9	Very low	39 Å²	39	68.9 Å²	68.9	18%	0.182	40%	0.395	C	S	.	.	H	α-helix	trans	-57.8	-39.7	176.5	-72.4	-60.1	-16.1	0	0	113.4	Y496 L502 L503 D504	Y496-Q500 HydrophobicContact CD1-CG 3.74Å; Y496-Q500 HydrophobicContact CD2-CG 4.08Å; Y496-Q500 HydrophobicContact CE1-CG 3.38Å; Y496-Q500 HydrophobicContact CE2-CG 3.74Å; Y496-Q500 VanDerWaalsContact CE2-NE2 3.26Å; Y496-Q500 HydrophobicContact CG-CG 4.08Å; Y496-Q500 VanDerWaalsContact CZ-NE2 3.25Å; Y496-Q500 WeakPolarHBondContact O-CA 3.24Å; Y496-Q500 WeakPolarHBondContact O-CB 3.4Å; Y496-Q500 WeakPolarHBondContact O-CG 3.37Å; Y496-Q500 PolarHBondContact O-N 3.36Å; Y496-Q500 PolarHBondContact OH-NE2 2.92Å; Q500-L502 PolarHBondContact O-N 3.23Å; Q500-L503 CarbonylContact O-C 3.6Å; Q500-L503 WeakPolarHBondContact O-CA 3.27Å; Q500-L503 PolarHBondContact O-N 3.5Å; Q500-D504 WeakPolarHBondContact O-CB 3.3Å; Q500-D504 PolarHBondContact O-N 3.3Å
501	S	40.4	Very low	40	Very low	71 Å²	71	75.1 Å²	75.1	50%	0.497	42%	0.423	S	S	.	.	H	α-helix	trans	-63.9	-29	172.1	-177.2	0	0	0	0	111.5	A497 I498 H499 S505	A497-S501 WeakPolarHBondContact O-CA 3.44Å; A497-S501 WeakPolarHBondContact O-CB 3.4Å; A497-S501 PolarHBondContact O-N 2.61Å; I498-S501 PolarHBondContact O-N 2.95Å; H499-S501 PolarHBondContact O-N 2.97Å; S501-S505 PolarHBondContact O-OG 2.91Å
502	L	42.2	Very low	39.1	Very low	31 Å²	31	77.4 Å²	77.4	16%	0.162	44%	0.438	C	S	.	.	H	α-helix	trans	-80	-18.5	168.5	-58.4	162.2	0	0	0	112.5	F421 I498 H499 Q500	F421-L502 HydrophobicContact CE2-CD2 4.41Å; F421-L502 HydrophobicContact CZ-CD2 3.71Å; I498-L502 HydrophobicContact CG2-CD1 3.77Å; I498-L502 HydrophobicContact CG2-CG 4.46Å; I498-L502 WeakPolarHBondContact O-CB 3.27Å; I498-L502 WeakPolarHBondContact O-CD1 3.46Å; I498-L502 WeakPolarHBondContact O-CG 3.3Å; I498-L502 PolarHBondContact O-N 3.44Å; H499-L502 CarbonylContact O-C 3.6Å; H499-L502 VanDerWaalsContact O-C 3.24Å; H499-L502 WeakPolarHBondContact O-CA 3.36Å; H499-L502 WeakPolarHBondContact O-CB 3.31Å; H499-L502 PolarHBondContact O-N 3.13Å; Q500-L502 PolarHBondContact O-N 3.23Å
503	L	39.1	Very low	37.9	Very low	16 Å²	16	80.6 Å²	80.6	8%	0.084	47%	0.466	C	S	.	.	H	α-helix	trans	-97.1	-51.2	-177.5	-54.2	-169.7	0	0	0	114.6	L305 H499 Q500 S505 Q506	L305-L503 HydrophobicContact CB-CD2 3.8Å; L305-L503 HydrophobicContact CD1-CB 4.31Å; L305-L503 HydrophobicContact CD1-CD1 3.22Å; L305-L503 HydrophobicContact CD1-CD2 3.34Å; L305-L503 HydrophobicContact CD1-CG 3.66Å; L305-L503 HydrophobicContact CD2-CB 3.57Å; L305-L503 HydrophobicContact CD2-CD1 4.11Å; L305-L503 HydrophobicContact CD2-CD2 3.71Å; L305-L503 HydrophobicContact CD2-CG 3.88Å; L305-L503 HydrophobicContact CG-CB 4.44Å; L305-L503 HydrophobicContact CG-CD1 4.2Å; L305-L503 HydrophobicContact CG-CD2 3.73Å; L305-L503 HydrophobicContact CG-CG 4.22Å; H499-L503 VanDerWaalsContact CE1-CD1 3.47Å; H499-L503 WeakPolarHBondContact CE1-CD1 3.45Å; H499-L503 WeakPolarHBondContact ND1-CD1 3.49Å; H499-L503 WeakPolarHBondContact O-CD2 3.2Å; H499-L503 WeakPolarHBondContact O-CG 3.48Å; H499-L503 PolarHBondContact O-N 2.89Å; Q500-L503 CarbonylContact O-C 3.6Å; Q500-L503 WeakPolarHBondContact O-CA 3.27Å; Q500-L503 PolarHBondContact O-N 3.5Å; L503-S505 PolarHBondContact O-N 3.03Å; L503-Q506 PolarHBondContact O-N 2.93Å
504	D	39.5	Very low	37.2	Very low	54 Å²	54	86.7 Å²	86.7	29%	0.289	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-8.3	-172	-93.7	-14.9	0	0	0	113.1	Q500 Q506	Q500-D504 WeakPolarHBondContact O-CB 3.3Å; Q500-D504 PolarHBondContact O-N 3.3Å; D504-Q506 PolarHBondContact O-N 3.36Å
505	S	41.8	Very low	36.3	Very low	62 Å²	62	91.4 Å²	91.4	43%	0.434	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	7.6	172.3	52.1	0	0	0	0	113.7	S501 L503	S501-S505 PolarHBondContact O-OG 2.91Å; L503-S505 PolarHBondContact O-N 3.03Å
506	Q	40.5	Very low	35.5	Very low	44 Å²	44	96.1 Å²	96.1	21%	0.206	54%	0.536	C	S	.	.	S	Bend	trans	-129.8	-8.9	-171.7	-155.7	132.3	71.3	0	0	116.9	L308 L503 D504 G508	L308-Q506 VanDerWaalsContact CD1-CD 3.45Å; L308-Q506 HydrophobicContact CD1-CG 3.87Å; L308-Q506 VanDerWaalsContact CD2-NE2 3.28Å; L503-Q506 PolarHBondContact O-N 2.93Å; D504-Q506 PolarHBondContact O-N 3.36Å; Q506-G508 PolarHBondContact O-N 2.93Å; Q506-G508 VanDerWaalsContact O-N 3.12Å
507	R	37.7	Very low	34.8	Very low	198 Å²	198	93.8 Å²	93.8	75%	0.747	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	0.7	176.6	-78	-174.7	173.7	-177.2	0.9	114.3
508	G	34.7	Very low	34.2	Very low	84 Å²	84	99.6 Å²	99.6	87%	0.866	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.1	2.8	176.8	0	0	0	0	0	116.1	Q506	Q506-G508 PolarHBondContact O-N 2.93Å; Q506-G508 VanDerWaalsContact O-N 3.12Å
509	S	34.7	Very low	33.3	Very low	79 Å²	79	100.1 Å²	100.1	55%	0.552	59%	0.591	S	S	*	*			trans	-134.1	82.3	177.2	61.6	0	0	0	0	111	E511	S509-E511 PolarHBondContact O-N 2.94Å
510	G	28	Very low	32.5	Very low	77 Å²	77	106.2 Å²	106.2	79%	0.794	62%	0.62	S	S	*	*			trans	-72.3	97.1	162.2	0	0	0	0	0	109.2	V512	G510-V512 PolarHBondContact O-N 3.24Å
511	E	30.6	Very low	31.6	Very low	188 Å²	188	114.1 Å²	114.1	88%	0.879	65%	0.654	S	S	*	*			trans	-82.7	103.3	168.6	-155.4	173.1	-163.3	0	0	108.3	S509 S513	S509-E511 PolarHBondContact O-N 2.94Å; E511-S513 PolarHBondContact O-N 3.19Å
512	V	28.5	Very low	30.9	Very low	108 Å²	108	116.3 Å²	116.3	66%	0.655	67%	0.67	S	S	*	*			trans	-70.3	102.8	168.3	179.7	0	0	0	0	107.2	G510 W514	G510-V512 PolarHBondContact O-N 3.24Å; V512-W514 PolarHBondContact O-N 2.97Å; V512-W514 VanDerWaalsContact O-N 3.1Å
513	S	23.6	Very low	30.1	Very low	116 Å²	116	123.4 Å²	123.4	81%	0.811	70%	0.701	S	S	*	*			trans	-71.8	101.9	170.1	-176.2	0	0	0	0	109.2	E511	E511-S513 PolarHBondContact O-N 3.19Å
514	W	27.2	Very low	29.3	Very low	215 Å²	215	127.4 Å²	127.4	81%	0.814	74%	0.737	S	S	*	*			trans	-87.2	110.5	158.3	-72.4	90.4	0	0	0	107.5	V512	V512-W514 PolarHBondContact O-N 2.97Å; V512-W514 VanDerWaalsContact O-N 3.1Å
515	D	26	Very low	28.6	Very low	145 Å²	145	133.1 Å²	133.1	78%	0.775	76%	0.764	S	S	*	*			trans	176.7	101.8	139.7	-91.3	-28.1	0	0	0	110.1
516	D	26.1	Very low	27.8	Very low	173 Å²	173	137.1 Å²	137.1	93%	0.925	79%	0.786	S	S	*	*			trans	-165	87.1	133.1	-103.1	-20	0	0	0	108.7
517	A	26.7	Very low	27	Very low	86 Å²	86	138.8 Å²	138.8	71%	0.711	82%	0.815	S	S	*	*			trans	-90.7	106	161.9	0	0	0	0	0	108.2
518	N	26.3	Very low	26.4	Very low	171 Å²	171	135.2 Å²	135.2	91%	0.914	82%	0.82	S	S	*	*			trans	171.4	105	135.3	-84.5	-27	0	0	0	111
519	G	25.6	Very low	26	Very low	79 Å²	79	139.9 Å²	139.9	81%	0.814	82%	0.819	S	S	*	*	S	Bend	trans	166.6	80.4	168.8	0	0	0	0	0	115
520	E	23	Very low	25.6	Very low	194 Å²	194	141.5 Å²	141.5	91%	0.907	83%	0.831	S	S	*	*			trans	43.8	111.1	154.3	-69.9	-178.1	146.3	0	0	121	S522	E520-S522 PolarHBondContact O-N 3.26Å
521	F	21.9	Very low	25.5	Very low	206 Å²	206	146 Å²	146	90%	0.904	84%	0.836	S	S	*	*			trans	-53.7	127.2	161.8	-90.6	-99.1	0	0	0	112.9
522	S	25.1	Very low	25.3	Very low	117 Å²	117	140.8 Å²	140.8	82%	0.818	83%	0.834	S	S	*	*			trans	-139.3	126.1	146	57.1	0	0	0	0	111.1	E520	E520-S522 PolarHBondContact O-N 3.26Å
523	H	25.3	Very low	25.2	Very low	179 Å²	179	141.1 Å²	141.1	83%	0.829	84%	0.841	S	S	*	*			trans	-66.8	138.6	177.9	-109.2	-96	0	0	0	112
524	A	22.8	Very low	25.4	Very low	101 Å²	101	143.4 Å²	143.4	84%	0.835	84%	0.842	S	S	*	*			trans	-166.8	121.1	135.9	0	0	0	0	0	112.3
525	M	23.7	Very low	25.6	Very low	174 Å²	174	139 Å²	139	86%	0.857	84%	0.841	S	S	*	*			trans	-76.3	145.6	161	-82.8	-155	169.7	0	0	111.2
526	T	26	Very low	25.6	Very low	146 Å²	146	141.8 Å²	141.8	90%	0.896	85%	0.849	S	S	*	*			trans	164.2	124.1	143.3	44.3	0	0	0	0	106
527	G	23.3	Very low	25.6	Very low	78 Å²	78	136.5 Å²	136.5	80%	0.804	84%	0.836	S	S	*	*			cis	110.3	112.9	41.1	0	0	0	0	0	108.4
528	S	24.6	Very low	25.5	Very low	124 Å²	124	140.5 Å²	140.5	87%	0.867	85%	0.845	S	S	*	*			trans	156	134	136.3	-167.1	0	0	0	0	114.1
529	H	26.5	Very low	25.5	Very low	181 Å²	181	141 Å²	141	84%	0.838	85%	0.846	S	S	*	*			trans	-64.4	153.6	170.3	-68.8	-95	0	0	0	114.6
530	S	26.4	Very low	25.7	Very low	114 Å²	114	143.3 Å²	143.3	80%	0.797	84%	0.844	S	S	*	*			trans	179	109.5	130.1	54.2	0	0	0	0	110.1
531	N	26.3	Very low	25.8	Very low	170 Å²	170	142.9 Å²	142.9	91%	0.909	84%	0.842	S	S	*	*				63.1	111.1	95.8	-101.3	16	0	0	0	116
532	G	26.1	Very low	26.2	Very low	80 Å²	80	141 Å²	141	83%	0.825	84%	0.84	S	S	*	*			trans	-126.3	115	166.1	0	0	0	0	0	110.4
533	S	27.1	Very low	26.2	Very low	115 Å²	115	139 Å²	139	80%	0.804	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-83.4	149.5	-175	-42.7	0	0	0	0	112.7
534	I	27.2	Very low	26.5	Very low	164 Å²	164	138.7 Å²	138.7	84%	0.841	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-100.7	135.5	166.8	-60.9	176.2	0	0	0	108
535	P	30.6	Very low	26.6	Very low	123 Å²	123	139.3 Å²	139.3	80%	0.799	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-87	146	178.1	33.6	-30.8	0	0	0	112.9
536	E	27.1	Very low	26.9	Very low	202 Å²	202	137.2 Å²	137.2	94%	0.944	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-97.6	150.6	-176.3	-167.6	178.1	-155.8	0	0	111
537	G	25.6	Very low	27.1	Very low	63 Å²	63	135.3 Å²	135.3	65%	0.649	83%	0.83	S	S	*	*			trans	140.9	95.4	152	0	0	0	0	0	117.1
538	L	24.4	Very low	28.6	Very low	170 Å²	170	137.4 Å²	137.4	89%	0.89	83%	0.829	S	S	*	*				179.4	105.7	107	-119.7	92.8	0	0	0	109.8
539	L	27.6	Very low	28.8	Very low	181 Å²	181	136 Å²	136	95%	0.948	83%	0.825	S	S	*	*			trans	-120.7	128.5	162.9	-90.3	166.4	0	0	0	108
540	V	28.4	Very low	29	Very low	127 Å²	127	132.7 Å²	132.7	77%	0.77	82%	0.822	S	S	*	*			trans	-85.6	129.3	-179.4	170.5	0	0	0	0	109.5
541	E	26.7	Very low	29.5	Very low	185 Å²	185	132.6 Å²	132.6	86%	0.864	82%	0.821	S	S	*	*			trans	-63.2	135	171.6	-66.9	177.7	139.3	0	0	112.5
542	I	28.9	Very low	30.2	Very low	168 Å²	168	130.2 Å²	130.2	86%	0.862	82%	0.815	S	S	*	*			trans	-139.1	125.7	145.3	-60.5	-175.8	0	0	0	107.8
543	G	26.6	Very low	30.7	Very low	74 Å²	74	130.3 Å²	130.3	76%	0.763	80%	0.803	S	S	*	*			trans	-84.7	171.4	-167.6	0	0	0	0	0	117.6
544	D	29.7	Very low	31.5	Very low	172 Å²	172	129.1 Å²	129.1	92%	0.92	80%	0.801	S	S	*	*			trans	-63.5	152.8	-172.6	-79.4	-40.3	0	0	0	117.4
545	S	25.9	Very low	32.4	Very low	115 Å²	115	126 Å²	126	80%	0.804	79%	0.794	S	S	*	*			trans	-150.6	109.3	141.1	54.1	0	0	0	0	114.3
546	V	30.2	Very low	33.3	Very low	129 Å²	129	122.9 Å²	122.9	78%	0.782	78%	0.775	S	S	*	*			trans	54.8	102.5	131.9	-171.1	0	0	0	0	122.4
547	S	30.1	Very low	34.3	Very low	106 Å²	106	120.3 Å²	120.3	74%	0.741	76%	0.763	S	S	*	*				75.9	169.5	128.3	-49.1	0	0	0	0	122.5
548	P	55.4	Low	35.7	Very low	123 Å²	123	122.2 Å²	122.2	80%	0.799	76%	0.758	S	S	*	*				-135.8	157.1	-74.8	39.5	-22.1	0	0	0	114.4
549	A	27.8	Very low	37.5	Very low	93 Å²	93	117.1 Å²	117.1	77%	0.769	74%	0.736	S	S	*	*			trans	-164.1	116.3	157.8	0	0	0	0	0	115
550	S	31.1	Very low	39.2	Very low	113 Å²	113	113.2 Å²	113.2	79%	0.79	72%	0.716	S	S	*	*			trans	43.7	112.9	142	56.9	0	0	0	0	123.1
551	S	36.1	Very low	40.8	Very low	111 Å²	111	112 Å²	112	78%	0.776	71%	0.705	S	S	*	*			trans	-23.3	163.5	149.1	49.5	0	0	0	0	119.2
552	P	41.7	Very low	42.8	Very low	120 Å²	120	112.1 Å²	112.1	78%	0.779	70%	0.698	S	S	*	*			cis	-146.7	-176	33.5	38.5	-14.8	0	0	0	118.6
553	S	37.2	Very low	45.1	Very low	82 Å²	82	108.8 Å²	108.8	57%	0.573	68%	0.681	S	S	*	*			trans	76.9	70.2	162.6	73.3	0	0	0	0	120.4	S555	S553-S555 VanDerWaalsContact C-N 3.3Å; S553-S555 PolarHBondContact O-N 2.94Å
554	A	42.8	Very low	46.9	Very low	91 Å²	91	108 Å²	108	75%	0.752	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.1	2.3	167.8	0	0	0	0	0	114.8
555	S	47	Very low	48.7	Very low	99 Å²	99	105.9 Å²	105.9	69%	0.692	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-14.4	-173.4	66.8	0	0	0	0	115.5	S553	S553-S555 VanDerWaalsContact C-N 3.3Å; S553-S555 PolarHBondContact O-N 2.94Å
556	S	48.7	Very low	51.3	Low	57 Å²	57	107 Å²	107	40%	0.399	65%	0.646	S	S	.	*	T	Hydrogen-bonded Turn	trans	-92.9	-31.3	179.7	77	0	0	0	0	113.1	D558 S559 D560	S556-D558 VanDerWaalsContact C-N 3.29Å; S556-D558 PolarHBondContact O-N 2.73Å; S556-S559 PolarHBondContact O-N 3.38Å; S556-S559 PolarHBondContact O-OG 3Å; S556-D560 PolarHBondContact O-N 2.95Å; S556-D560 VanDerWaalsContact O-N 3.08Å
557	Q	49.3	Very low	53.5	Low	148 Å²	148	106 Å²	106	69%	0.692	64%	0.636	S	S	*	*	H	α-helix	trans	-68.1	-32.2	-179.8	-70.7	-178	-23.7	0	0	112.1	D560 L561	Q557-D560 PolarHBondContact O-N 3.34Å; Q557-L561 WeakPolarHBondContact O-CB 3.34Å; Q557-L561 PolarHBondContact O-N 2.97Å
558	D	54.1	Low	55.3	Low	103 Å²	103	104.4 Å²	104.4	55%	0.551	63%	0.625	S	S	*	*	H	α-helix	trans	-76.6	-28.7	179.5	-147.1	27	0	0	0	112.2	S556 R562	S556-D558 VanDerWaalsContact C-N 3.29Å; S556-D558 PolarHBondContact O-N 2.73Å; D558-R562 WeakPolarHBondContact O-CB 3.47Å; D558-R562 PolarHBondContact O-N 3.4Å
559	S	62.3	Low	56.5	Low	62 Å²	62	101 Å²	101	43%	0.434	61%	0.607	S	S	.	*	H	α-helix	trans	-73.3	-38.6	171	57.1	0	0	0	0	112.3	S556 R562 L563	S556-S559 PolarHBondContact O-N 3.38Å; S556-S559 PolarHBondContact O-OG 3Å; S559-R562 PolarHBondContact O-N 3.4Å; S559-L563 WeakPolarHBondContact O-CB 3.39Å; S559-L563 PolarHBondContact O-N 3.05Å
560	D	62.8	Low	59.2	Low	99 Å²	99	104.4 Å²	104.4	53%	0.529	60%	0.6	S	S	.	*	H	α-helix	trans	-70.1	-37.8	178.7	-66.2	-15.5	0	0	0	111.2	S556 Q557 L563 A564	S556-D560 PolarHBondContact O-N 2.95Å; S556-D560 VanDerWaalsContact O-N 3.08Å; Q557-D560 PolarHBondContact O-N 3.34Å; D560-L563 PolarHBondContact O-N 3.03Å; D560-A564 WeakPolarHBondContact O-CB 3.46Å; D560-A564 PolarHBondContact O-N 3.28Å
561	L	62.7	Low	61.3	Low	103 Å²	103	101.6 Å²	101.6	54%	0.539	58%	0.584	S	S	.	*	H	α-helix	trans	-63.9	-44.3	173.7	-169.9	78.5	0	0	0	111.5	Q557 L563 A564 M565	Q557-L561 WeakPolarHBondContact O-CB 3.34Å; Q557-L561 PolarHBondContact O-N 2.97Å; L561-L563 PolarHBondContact O-N 3.01Å; L561-A564 PolarHBondContact O-N 3.48Å; L561-M565 WeakPolarHBondContact O-CG 3.43Å; L561-M565 PolarHBondContact O-N 3.31Å
562	R	68.1	Low	62.9	Low	187 Å²	187	101.6 Å²	101.6	71%	0.706	57%	0.571	S	S	*	*	H	α-helix	trans	-61.4	-43	175.5	-96.4	-179.5	142.8	157.7	-3.6	112.5	D558 S559 A564 M565 E566	D558-R562 WeakPolarHBondContact O-CB 3.47Å; D558-R562 PolarHBondContact O-N 3.4Å; S559-R562 PolarHBondContact O-N 3.4Å; R562-A564 VanDerWaalsContact C-N 3.34Å; R562-M565 PolarHBondContact O-N 2.96Å; R562-E566 PolarHBondContact O-N 3.49Å
563	L	77.2	Confident	64.9	Low	97 Å²	97	101.4 Å²	101.4	51%	0.508	56%	0.56	S	S	.	*	H	α-helix	trans	-64.3	-40.2	177.1	-175	65.6	0	0	0	111.4	S559 D560 L561 E566 L567	S559-L563 WeakPolarHBondContact O-CB 3.39Å; S559-L563 PolarHBondContact O-N 3.05Å; D560-L563 PolarHBondContact O-N 3.03Å; L561-L563 PolarHBondContact O-N 3.01Å; L563-E566 PolarHBondContact O-N 3.33Å; L563-L567 HydrophobicContact CG-CD1 4.3Å; L563-L567 WeakPolarHBondContact O-CB 3.34Å; L563-L567 VanDerWaalsContact O-CG 3.32Å; L563-L567 WeakPolarHBondContact O-CG 3.29Å; L563-L567 PolarHBondContact O-N 2.86Å
564	A	65.2	Low	67.1	Low	58 Å²	58	102.8 Å²	102.8	48%	0.479	56%	0.557	S	S	.	*	H	α-helix	trans	-64.5	-40.6	176	0	0	0	0	0	112.4	D560 L561 R562 L567 S568	D560-A564 WeakPolarHBondContact O-CB 3.46Å; D560-A564 PolarHBondContact O-N 3.28Å; L561-A564 PolarHBondContact O-N 3.48Å; R562-A564 VanDerWaalsContact C-N 3.34Å; A564-L567 PolarHBondContact O-N 2.92Å; A564-S568 WeakPolarHBondContact O-CB 3.3Å; A564-S568 PolarHBondContact O-N 3.12Å
565	M	67.8	Low	68.4	Low	128 Å²	128	104 Å²	104	63%	0.631	55%	0.547	S	S	*	.	H	α-helix	trans	-65.1	-39.2	175.2	-70.5	-178.7	75.6	0	0	112.1	L561 R562 S568 A569	L561-M565 WeakPolarHBondContact O-CG 3.43Å; L561-M565 PolarHBondContact O-N 3.31Å; R562-M565 PolarHBondContact O-N 2.96Å; M565-S568 PolarHBondContact O-N 3.29Å; M565-A569 WeakPolarHBondContact O-CB 3.48Å; M565-A569 PolarHBondContact O-N 3.13Å
566	E	79.9	Confident	69.7	Low	138 Å²	138	104 Å²	104	65%	0.645	54%	0.536	S	S	*	.	H	α-helix	trans	-68.4	-40.3	177.4	-167.8	174.6	178.9	0	0	112	R562 L563 A569 R570	R562-E566 PolarHBondContact O-N 3.49Å; L563-E566 PolarHBondContact O-N 3.33Å; E566-A569 PolarHBondContact O-N 3.25Å; E566-R570 WeakPolarHBondContact O-CB 3.22Å; E566-R570 PolarHBondContact O-N 3.38Å
567	L	77.2	Confident	71.5	Confident	108 Å²	108	108.6 Å²	108.6	57%	0.565	55%	0.545	S	S	*	.	H	α-helix	trans	-64.9	-39.4	173.4	-72.2	172	0	0	0	112	L563 A564 R570 A571	L563-L567 HydrophobicContact CG-CD1 4.3Å; L563-L567 WeakPolarHBondContact O-CB 3.34Å; L563-L567 VanDerWaalsContact O-CG 3.32Å; L563-L567 WeakPolarHBondContact O-CG 3.29Å; L563-L567 PolarHBondContact O-N 2.86Å; A564-L567 PolarHBondContact O-N 2.92Å; L567-R570 PolarHBondContact O-N 3.42Å; L567-A571 WeakPolarHBondContact O-CB 3.35Å; L567-A571 PolarHBondContact O-N 3.44Å
568	S	67.9	Low	72.7	Confident	73 Å²	73	105.9 Å²	105.9	51%	0.51	53%	0.534	S	S	.	.	H	α-helix	trans	-65.1	-44	175.5	-168.6	0	0	0	0	111.8	A564 M565 R570 A571 Q572	A564-S568 WeakPolarHBondContact O-CB 3.3Å; A564-S568 PolarHBondContact O-N 3.12Å; M565-S568 PolarHBondContact O-N 3.29Å; S568-R570 VanDerWaalsContact C-N 3.33Å; S568-R570 PolarHBondContact O-N 2.94Å; S568-A571 PolarHBondContact O-N 2.94Å; S568-Q572 WeakPolarHBondContact O-CB 3.24Å; S568-Q572 PolarHBondContact O-N 3.49Å
569	A	78.9	Confident	73.4	Confident	51 Å²	51	107 Å²	107	42%	0.421	53%	0.53	S	S	.	.	H	α-helix	trans	-63.5	-40.3	177.6	0	0	0	0	0	111.6	M565 E566 Q572 E573	M565-A569 WeakPolarHBondContact O-CB 3.48Å; M565-A569 PolarHBondContact O-N 3.13Å; E566-A569 PolarHBondContact O-N 3.25Å; A569-Q572 PolarHBondContact O-N 2.76Å; A569-E573 PolarHBondContact O-N 3.4Å
570	R	84.6	Confident	74.2	Confident	164 Å²	164	110.4 Å²	110.4	62%	0.619	54%	0.537	S	S	*	.	H	α-helix	trans	-67.9	-39.8	177.3	-170.3	175.9	-180	158.7	2.7	112.7	E566 L567 S568 Q572 E573 E574	E566-R570 WeakPolarHBondContact O-CB 3.22Å; E566-R570 PolarHBondContact O-N 3.38Å; L567-R570 PolarHBondContact O-N 3.42Å; S568-R570 VanDerWaalsContact C-N 3.33Å; S568-R570 PolarHBondContact O-N 2.94Å; R570-Q572 VanDerWaalsContact C-N 3.3Å; R570-E573 PolarHBondContact O-N 3.01Å; R570-E574 IonicContact NE-OE1 3.84Å; R570-E574 WeakPolarHBondContact O-CG 3.27Å; R570-E574 PolarHBondContact O-N 3.49Å
571	A	76.7	Confident	75.1	Confident	55 Å²	55	112.5 Å²	112.5	46%	0.455	54%	0.538	S	S	.	.	H	α-helix	trans	-62.5	-40.5	174.2	0	0	0	0	0	111.3	L567 S568 E574 E575	L567-A571 WeakPolarHBondContact O-CB 3.35Å; L567-A571 PolarHBondContact O-N 3.44Å; S568-A571 PolarHBondContact O-N 2.94Å; A571-E574 PolarHBondContact O-N 3.38Å; A571-E575 WeakPolarHBondContact O-CB 3.14Å; A571-E575 PolarHBondContact O-N 3.31Å
572	Q	68.6	Low	75.2	Confident	110 Å²	110	112.6 Å²	112.6	51%	0.514	54%	0.535	S	S	.	.	H	α-helix	trans	-67	-39.8	177.9	-160.3	170.1	-0.1	0	0	112.1	S568 A569 R570 E575 E576	S568-Q572 WeakPolarHBondContact O-CB 3.24Å; S568-Q572 PolarHBondContact O-N 3.49Å; A569-Q572 PolarHBondContact O-N 2.76Å; R570-Q572 VanDerWaalsContact C-N 3.3Å; Q572-E575 PolarHBondContact O-N 2.98Å; Q572-E576 WeakPolarHBondContact O-CG 3.28Å; Q572-E576 PolarHBondContact O-N 3.36Å
573	E	84.2	Confident	75.3	Confident	116 Å²	116	108.3 Å²	108.3	54%	0.542	53%	0.526	S	S	.	.	H	α-helix	trans	-65.5	-37.1	172.3	-80.7	-170.2	178.5	0	0	113.2	A569 R570 R577	A569-E573 PolarHBondContact O-N 3.4Å; R570-E573 PolarHBondContact O-N 3.01Å; E573-R577 WeakPolarHBondContact O-CB 3.45Å; E573-R577 WeakPolarHBondContact O-CG 3.47Å; E573-R577 PolarHBondContact O-N 3.41Å
574	E	82.9	Confident	75.5	Confident	111 Å²	111	109.9 Å²	109.9	52%	0.519	53%	0.531	S	S	.	.	H	α-helix	trans	-67.4	-39.4	175.8	-78.7	179.9	-171.6	0	0	111.3	R570 A571 R577 M578	R570-E574 IonicContact NE-OE1 3.84Å; R570-E574 WeakPolarHBondContact O-CG 3.27Å; R570-E574 PolarHBondContact O-N 3.49Å; A571-E574 PolarHBondContact O-N 3.38Å; E574-R577 PolarHBondContact O-N 3.36Å; E574-M578 WeakPolarHBondContact O-CG 3.35Å; E574-M578 PolarHBondContact O-N 3.5Å
575	E	69.5	Low	76.1	Confident	116 Å²	116	113 Å²	113	54%	0.542	54%	0.536	S	S	.	.	H	α-helix	trans	-68.1	-40.2	176.1	-167.6	176.3	-161.6	0	0	112.2	A571 Q572 R577 M578 R579	A571-E575 WeakPolarHBondContact O-CB 3.14Å; A571-E575 PolarHBondContact O-N 3.31Å; Q572-E575 PolarHBondContact O-N 2.98Å; E575-R577 VanDerWaalsContact C-N 3.34Å; E575-M578 PolarHBondContact O-N 2.96Å; E575-R579 PolarHBondContact O-N 2.91Å
576	E	76.3	Confident	75.6	Confident	99 Å²	99	111.7 Å²	111.7	46%	0.463	53%	0.531	S	S	.	.	H	α-helix	trans	-64.8	-36.8	171.8	-77.6	-173.8	-179.1	0	0	112.4	Q572 K580	Q572-E576 WeakPolarHBondContact O-CG 3.28Å; Q572-E576 PolarHBondContact O-N 3.36Å; E576-K580 PolarHBondContact O-N 2.83Å
577	R	84.8	Confident	75	Confident	154 Å²	154	111.3 Å²	111.3	58%	0.581	53%	0.529	S	S	*	.	H	α-helix	trans	-67.3	-38.2	173.6	-87.4	-171.1	159.5	105.5	-0.1	112.6	E573 E574 E575 R581	E573-R577 WeakPolarHBondContact O-CB 3.45Å; E573-R577 WeakPolarHBondContact O-CG 3.47Å; E573-R577 PolarHBondContact O-N 3.41Å; E574-R577 PolarHBondContact O-N 3.36Å; E575-R577 VanDerWaalsContact C-N 3.34Å; R577-R581 WeakPolarHBondContact O-CG 3.38Å; R577-R581 PolarHBondContact O-N 3.16Å; R577-R581 VanDerWaalsContact O-N 3.15Å
578	M	74.9	Confident	74.8	Confident	92 Å²	92	115 Å²	115	45%	0.453	54%	0.535	S	S	.	.	H	α-helix	trans	-65	-47.8	175.1	-76.5	-67.3	-70.4	0	0	110.4	E574 E575 K580 R581 E582	E574-M578 WeakPolarHBondContact O-CG 3.35Å; E574-M578 PolarHBondContact O-N 3.5Å; E575-M578 PolarHBondContact O-N 2.96Å; M578-K580 PolarHBondContact O-N 2.82Å; M578-R581 PolarHBondContact O-N 3.01Å; M578-R581 VanDerWaalsContact O-N 3.1Å; M578-R581 PolarHBondContact SD-NH1 3.14Å; M578-R581 VanDerWaalsContact SD-NH1 3.4Å; M578-E582 WeakPolarHBondContact O-CG 3.37Å; M578-E582 PolarHBondContact O-N 2.63Å
579	R	68.9	Low	74.9	Confident	127 Å²	127	115 Å²	115	48%	0.479	53%	0.529	S	S	.	.	H	α-helix	trans	-55.3	-47.2	174.7	-88.8	-172.1	-80.3	-166.5	-7.4	112.8	E575 R581 E582 D583	E575-R579 PolarHBondContact O-N 2.91Å; R579-R581 VanDerWaalsContact C-N 3.31Å; R579-R581 PolarHBondContact O-N 3.29Å; R579-E582 PolarHBondContact O-N 3.36Å; R579-E582 VanDerWaalsContact O-N 3.16Å; R579-D583 VanDerWaalsContact O-CG 3.29Å; R579-D583 PolarHBondContact O-N 3.27Å
580	K	80.2	Confident	73.8	Confident	133 Å²	133	117.6 Å²	117.6	58%	0.578	54%	0.535	S	S	*	.	H	α-helix	trans	-60.4	-38.2	176.8	-80.8	-177.2	177.7	175.7	0	113.4	E576 M578 E584	E576-K580 PolarHBondContact O-N 2.83Å; M578-K580 PolarHBondContact O-N 2.82Å; K580-E584 WeakPolarHBondContact O-CB 3.32Å; K580-E584 VanDerWaalsContact O-CG 3.24Å; K580-E584 WeakPolarHBondContact O-CG 3.48Å; K580-E584 PolarHBondContact O-N 2.94Å
581	R	81.3	Confident	72.7	Confident	143 Å²	143	116.2 Å²	116.2	54%	0.54	54%	0.536	S	S	.	.	H	α-helix	trans	-68.6	-39.6	175.8	-73.1	-171.5	-153.3	123.3	1.6	111.9	R577 M578 R579 E584 E585	R577-R581 WeakPolarHBondContact O-CG 3.38Å; R577-R581 PolarHBondContact O-N 3.16Å; R577-R581 VanDerWaalsContact O-N 3.15Å; M578-R581 PolarHBondContact O-N 3.01Å; M578-R581 VanDerWaalsContact O-N 3.1Å; M578-R581 PolarHBondContact SD-NH1 3.14Å; M578-R581 VanDerWaalsContact SD-NH1 3.4Å; R579-R581 VanDerWaalsContact C-N 3.31Å; R579-R581 PolarHBondContact O-N 3.29Å; R581-E584 PolarHBondContact O-N 3.46Å; R581-E585 WeakPolarHBondContact O-CB 3.39Å; R581-E585 PolarHBondContact O-N 3.17Å
582	E	64.2	Low	72	Confident	105 Å²	105	118.6 Å²	118.6	49%	0.491	54%	0.54	S	S	.	.	H	α-helix	trans	-63.6	-43	176.8	-71.3	176.2	170.6	0	0	110.8	M578 R579 E585 L586	M578-E582 WeakPolarHBondContact O-CG 3.37Å; M578-E582 PolarHBondContact O-N 2.63Å; R579-E582 PolarHBondContact O-N 3.36Å; R579-E582 VanDerWaalsContact O-N 3.16Å; E582-E585 PolarHBondContact O-N 3.34Å; E582-L586 WeakPolarHBondContact O-CB 3.33Å; E582-L586 PolarHBondContact O-N 2.82Å
583	D	70.2	Confident	71	Confident	97 Å²	97	117.4 Å²	117.4	52%	0.519	54%	0.544	S	S	.	.	H	α-helix	trans	-63.4	-45.6	175.7	-68.3	-22.1	0	0	0	111.8	R579 E585 L586 E587	R579-D583 VanDerWaalsContact O-CG 3.29Å; R579-D583 PolarHBondContact O-N 3.27Å; D583-E585 VanDerWaalsContact C-N 3.33Å; D583-E585 PolarHBondContact O-N 2.96Å; D583-L586 WeakPolarHBondContact O-CB 3.48Å; D583-L586 PolarHBondContact O-N 3.25Å; D583-E587 PolarHBondContact O-N 2.69Å
584	E	82.4	Confident	69.6	Low	129 Å²	129	118.2 Å²	118.2	60%	0.603	55%	0.551	S	S	*	*	H	α-helix	trans	-63.1	-37.1	176.3	-76.4	173.7	-172.1	0	0	112.4	K580 R581 R588	K580-E584 WeakPolarHBondContact O-CB 3.32Å; K580-E584 VanDerWaalsContact O-CG 3.24Å; K580-E584 WeakPolarHBondContact O-CG 3.48Å; K580-E584 PolarHBondContact O-N 2.94Å; R581-E584 PolarHBondContact O-N 3.46Å; E584-R588 WeakPolarHBondContact O-CB 3.35Å; E584-R588 PolarHBondContact O-N 3.42Å; E584-R588 VanDerWaalsContact O-N 3.15Å
585	E	76.2	Confident	68.4	Low	125 Å²	125	118.1 Å²	118.1	58%	0.584	56%	0.559	S	S	*	*	H	α-helix	trans	-70.2	-39.3	176.5	-167.5	168.7	-159	0	0	111.2	R581 E582 D583 R588 I589	R581-E585 WeakPolarHBondContact O-CB 3.39Å; R581-E585 PolarHBondContact O-N 3.17Å; E582-E585 PolarHBondContact O-N 3.34Å; D583-E585 VanDerWaalsContact C-N 3.33Å; D583-E585 PolarHBondContact O-N 2.96Å; E585-R588 PolarHBondContact O-N 3.03Å; E585-I589 HydrophobicContact CG-CD1 4.08Å; E585-I589 WeakPolarHBondContact O-CD1 3.34Å; E585-I589 WeakPolarHBondContact O-CG1 3.45Å; E585-I589 PolarHBondContact O-N 3.38Å
586	L	58	Low	67.2	Low	99 Å²	99	121 Å²	121	52%	0.518	57%	0.572	S	S	.	*	H	α-helix	trans	-61.7	-47.2	174.2	-117.7	134.4	0	0	0	112.1	E582 D583 R588 I589 L590	E582-L586 WeakPolarHBondContact O-CB 3.33Å; E582-L586 PolarHBondContact O-N 2.82Å; D583-L586 WeakPolarHBondContact O-CB 3.48Å; D583-L586 PolarHBondContact O-N 3.25Å; L586-R588 VanDerWaalsContact C-N 3.29Å; L586-R588 PolarHBondContact O-N 3.39Å; L586-I589 PolarHBondContact O-N 2.97Å; L586-L590 HydrophobicContact CD2-CD1 4.39Å; L586-L590 VanDerWaalsContact O-CG 3.29Å; L586-L590 WeakPolarHBondContact O-CG 3.14Å; L586-L590 PolarHBondContact O-N 3.22Å
587	E	68.3	Low	65.5	Low	131 Å²	131	128.5 Å²	128.5	61%	0.612	60%	0.603	S	S	*	*	H	α-helix	trans	-59.5	-41.4	175.9	-79.8	-169.7	165	0	0	111.8	D583 L590 Q591	D583-E587 PolarHBondContact O-N 2.69Å; E587-L590 PolarHBondContact O-N 2.95Å; E587-Q591 WeakPolarHBondContact O-CG 3.35Å; E587-Q591 PolarHBondContact O-N 3.32Å
588	R	71.3	Confident	64.6	Low	184 Å²	184	127.2 Å²	127.2	69%	0.694	60%	0.604	S	S	*	*	H	α-helix	trans	-65.5	-40.2	178.8	-158.1	-176.2	-141.5	167.7	7.9	112	E584 E585 L586 Q591 L592	E584-R588 WeakPolarHBondContact O-CB 3.35Å; E584-R588 PolarHBondContact O-N 3.42Å; E584-R588 VanDerWaalsContact O-N 3.15Å; E585-R588 PolarHBondContact O-N 3.03Å; L586-R588 VanDerWaalsContact C-N 3.29Å; L586-R588 PolarHBondContact O-N 3.39Å; R588-Q591 PolarHBondContact O-N 3.23Å; R588-L592 HydrophobicContact CG-CD1 4.47Å; R588-L592 VanDerWaalsContact O-CG 3.32Å; R588-L592 WeakPolarHBondContact O-CG 3.26Å; R588-L592 PolarHBondContact O-N 3.25Å
589	I	69.8	Low	64	Low	75 Å²	75	129.1 Å²	129.1	39%	0.385	61%	0.612	S	S	.	*	H	α-helix	trans	-66.1	-41.6	176.7	-69.7	164.5	0	0	0	110.6	L141 E585 L586 L592 S593	L141-I589 HydrophobicContact CD1-CD1 3.79Å; E585-I589 HydrophobicContact CG-CD1 4.08Å; E585-I589 WeakPolarHBondContact O-CD1 3.34Å; E585-I589 WeakPolarHBondContact O-CG1 3.45Å; E585-I589 PolarHBondContact O-N 3.38Å; L586-I589 PolarHBondContact O-N 2.97Å; I589-L592 PolarHBondContact O-N 3.15Å; I589-S593 WeakPolarHBondContact O-CB 3.39Å; I589-S593 PolarHBondContact O-N 3.22Å
590	L	57.1	Low	63.7	Low	104 Å²	104	129.2 Å²	129.2	55%	0.545	62%	0.619	S	S	.	*	H	α-helix	trans	-63.8	-41.8	176.6	-71.7	169	0	0	0	112	L586 E587 S593 L594	L586-L590 HydrophobicContact CD2-CD1 4.39Å; L586-L590 VanDerWaalsContact O-CG 3.29Å; L586-L590 WeakPolarHBondContact O-CG 3.14Å; L586-L590 PolarHBondContact O-N 3.22Å; E587-L590 PolarHBondContact O-N 2.95Å; L590-S593 PolarHBondContact O-N 3.49Å; L590-L594 WeakPolarHBondContact O-CG 3.49Å; L590-L594 PolarHBondContact O-N 2.86Å
591	Q	60.7	Low	62.8	Low	136 Å²	136	128.9 Å²	128.9	64%	0.636	62%	0.622	S	S	*	*	H	α-helix	trans	-64	-43	175.2	-77.1	-173.7	-1.1	0	0	112.5	E587 R588 S593 L594 T595	E587-Q591 WeakPolarHBondContact O-CG 3.35Å; E587-Q591 PolarHBondContact O-N 3.32Å; R588-Q591 PolarHBondContact O-N 3.23Å; Q591-S593 VanDerWaalsContact C-N 3.34Å; Q591-S593 PolarHBondContact O-N 2.7Å; Q591-L594 PolarHBondContact O-N 2.96Å; Q591-T595 PolarHBondContact O-N 3.32Å; Q591-T595 PolarHBondContact O-OG1 3.15Å
592	L	62.7	Low	61.6	Low	105 Å²	105	128.1 Å²	128.1	55%	0.55	63%	0.627	S	S	.	*	H	α-helix	trans	-64.2	-39.8	177.7	-73.7	165.6	0	0	0	111.7	R588 I589 L594 T595 E596	R588-L592 HydrophobicContact CG-CD1 4.47Å; R588-L592 VanDerWaalsContact O-CG 3.32Å; R588-L592 WeakPolarHBondContact O-CG 3.26Å; R588-L592 PolarHBondContact O-N 3.25Å; I589-L592 PolarHBondContact O-N 3.15Å; L592-L594 PolarHBondContact O-N 3.5Å; L592-T595 WeakPolarHBondContact CA-OG1 3.46Å; L592-T595 PolarHBondContact O-N 3.36Å; L592-T595 VanDerWaalsContact O-N 3.17Å; L592-T595 PolarHBondContact O-OG1 3.27Å; L592-E596 PolarHBondContact O-N 2.89Å
593	S	46.9	Very low	61.4	Low	84 Å²	84	129.6 Å²	129.6	59%	0.587	64%	0.636	S	S	*	*	H	α-helix	trans	-65.9	-22.1	175.9	-177.6	0	0	0	0	113.8	I589 L590 Q591	I589-S593 WeakPolarHBondContact O-CB 3.39Å; I589-S593 PolarHBondContact O-N 3.22Å; L590-S593 PolarHBondContact O-N 3.49Å; Q591-S593 VanDerWaalsContact C-N 3.34Å; Q591-S593 PolarHBondContact O-N 2.7Å
594	L	56	Low	60.8	Low	133 Å²	133	131.9 Å²	131.9	70%	0.696	64%	0.644	S	S	*	*	H	α-helix	trans	-84.6	-21.4	175.9	-75.5	163.5	0	0	0	112.5	L590 Q591 L592	L590-L594 WeakPolarHBondContact O-CG 3.49Å; L590-L594 PolarHBondContact O-N 2.86Å; Q591-L594 PolarHBondContact O-N 2.96Å; L592-L594 PolarHBondContact O-N 3.5Å
595	T	56.3	Low	59.2	Low	110 Å²	110	132.2 Å²	132.2	68%	0.675	65%	0.647	S	S	*	*	H	α-helix	trans	-92.5	-21.9	179.7	49.3	0	0	0	0	114.5	Q591 L592 K597	Q591-T595 PolarHBondContact O-N 3.32Å; Q591-T595 PolarHBondContact O-OG1 3.15Å; L592-T595 WeakPolarHBondContact CA-OG1 3.46Å; L592-T595 PolarHBondContact O-N 3.36Å; L592-T595 VanDerWaalsContact O-N 3.17Å; L592-T595 PolarHBondContact O-OG1 3.27Å; T595-K597 PolarHBondContact O-N 2.71Å
596	E	45.4	Very low	57.7	Low	175 Å²	175	132.8 Å²	132.8	82%	0.818	65%	0.653	S	S	*	*			trans	-88.1	82	168.1	-76.5	-173.8	157.3	0	0	110	L592	L592-E596 PolarHBondContact O-N 2.89Å
597	K	40.4	Very low	57.7	Low	257 Å²	257	135.8 Å²	135.8	100%	1.117	67%	0.665	S	S	*	*			trans	-115.3	0	165.4	-102.7	-174.3	-179.9	174.5	0	111.1	T595	T595-K597 PolarHBondContact O-N 2.71Å

Retrieved 597 of 597 residues in 314.9 ms (Link to these results)

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