A0A077ZIF8_TRITR Loading...

Endonuclease:exonuclease:phosphatase family

AlphaFold DB , UniProt , Accession A0A077ZIF8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 569 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	36.6	Very low	52.1	Low	244 Å²	244	101.5 Å²	101.5	100%	1.202	64%	0.638	S	S	*	*				0	102	0	-75.2	175.9	175	0	0	106.8	L3	M1-L3 PolarHBondContact O-N 3.29Å
2	T	33.6	Very low	54.1	Low	141 Å²	141	104 Å²	104	87%	0.865	64%	0.636	S	S	*	*			trans	-68.5	112.6	171.1	40.8	0	0	0	0	107.3
3	L	35.7	Very low	56.1	Low	162 Å²	162	103.1 Å²	103.1	85%	0.848	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-54.2	131.7	168.4	-76.6	158.4	0	0	0	107.5	M1 S5	M1-L3 PolarHBondContact O-N 3.29Å; L3-S5 PolarHBondContact O-N 3.11Å
4	P	34.9	Very low	58.1	Low	95 Å²	95	100.9 Å²	100.9	62%	0.617	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-55.7	135.6	175.8	17.5	-24	0	0	0	109	S6 A8	P4-S6 PolarHBondContact O-N 2.75Å; P4-A8 HydrophobicContact CB-CB 4.45Å
5	S	39.3	Very low	60.2	Low	72 Å²	72	103.5 Å²	103.5	50%	0.503	62%	0.616	S	S	.	*	P	Polyproline II helix	trans	-51.4	140.3	175.4	60.7	0	0	0	0	109.2	L3 T7 A8 A9	L3-S5 PolarHBondContact O-N 3.11Å; S5-T7 PolarHBondContact O-N 3.37Å; S5-T7 PolarHBondContact OG-OG1 2.71Å; S5-A8 PolarHBondContact O-N 3.45Å; S5-A9 PolarHBondContact O-N 2.75Å
6	S	55	Low	61.9	Low	102 Å²	102	104.4 Å²	104.4	71%	0.713	61%	0.612	S	S	*	*	H	α-helix	trans	-51.8	-28.5	-176.3	68.3	0	0	0	0	112.9	P4 A10	P4-S6 PolarHBondContact O-N 2.75Å; S6-A10 WeakPolarHBondContact O-CB 3.33Å; S6-A10 PolarHBondContact O-N 3.36Å
7	T	62.3	Low	63.5	Low	98 Å²	98	100.8 Å²	100.8	60%	0.601	59%	0.586	S	S	*	*	H	α-helix	trans	-63.2	-40.3	174.1	49.2	0	0	0	0	114.2	S5 A11	S5-T7 PolarHBondContact O-N 3.37Å; S5-T7 PolarHBondContact OG-OG1 2.71Å; T7-A11 VanDerWaalsContact O-CB 3.32Å; T7-A11 WeakPolarHBondContact O-CB 3.43Å; T7-A11 PolarHBondContact O-N 2.87Å
8	A	64.1	Low	65	Low	48 Å²	48	98.8 Å²	98.8	40%	0.397	57%	0.572	S	S	.	*	H	α-helix	trans	-71.1	-40.5	-180	0	0	0	0	0	111.4	P4 S5 A11 Q12	P4-A8 HydrophobicContact CB-CB 4.45Å; S5-A8 PolarHBondContact O-N 3.45Å; A8-A11 PolarHBondContact O-N 3.19Å; A8-Q12 PolarHBondContact O-N 2.74Å
9	A	65.3	Low	66.4	Low	44 Å²	44	103.5 Å²	103.5	36%	0.364	58%	0.579	S	S	.	*	H	α-helix	trans	-63.7	-47.9	174.4	0	0	0	0	0	111.1	S5 A11 Q12 T13	S5-A9 PolarHBondContact O-N 2.75Å; A9-A11 VanDerWaalsContact C-N 3.34Å; A9-A11 PolarHBondContact O-N 3.37Å; A9-Q12 PolarHBondContact O-N 2.85Å; A9-T13 PolarHBondContact O-N 3.16Å; A9-T13 PolarHBondContact O-OG1 3.2Å; A9-T13 VanDerWaalsContact O-OG1 3.09Å
10	A	71.6	Confident	67.5	Low	60 Å²	60	101.1 Å²	101.1	50%	0.496	56%	0.564	S	S	.	*	H	α-helix	trans	-59	-43.1	176.6	0	0	0	0	0	112.4	S6 Q12 T13 D14	S6-A10 WeakPolarHBondContact O-CB 3.33Å; S6-A10 PolarHBondContact O-N 3.36Å; A10-Q12 VanDerWaalsContact C-N 3.34Å; A10-Q12 PolarHBondContact O-N 3.4Å; A10-T13 PolarHBondContact O-N 3.01Å; A10-D14 WeakPolarHBondContact O-CB 3.46Å; A10-D14 PolarHBondContact O-N 3.43Å
11	A	75.3	Confident	68.7	Low	50 Å²	50	98.1 Å²	98.1	41%	0.413	55%	0.547	S	S	.	.	H	α-helix	trans	-63.9	-37.1	177.3	0	0	0	0	0	112.8	T7 A8 A9 D14 Q15	T7-A11 VanDerWaalsContact O-CB 3.32Å; T7-A11 WeakPolarHBondContact O-CB 3.43Å; T7-A11 PolarHBondContact O-N 2.87Å; A8-A11 PolarHBondContact O-N 3.19Å; A9-A11 VanDerWaalsContact C-N 3.34Å; A9-A11 PolarHBondContact O-N 3.37Å; A11-D14 PolarHBondContact O-N 3.46Å; A11-Q15 WeakPolarHBondContact O-CG 3.11Å; A11-Q15 PolarHBondContact O-N 3.3Å; A11-Q15 VanDerWaalsContact O-N 3.12Å
12	Q	75.6	Confident	71.3	Confident	132 Å²	132	93.1 Å²	93.1	62%	0.617	52%	0.518	S	S	*	.	H	α-helix	trans	-67.8	-45.4	176.7	-176	176.9	-6.8	0	0	111.6	A8 A9 A10 D14 Q15 E16	A8-Q12 PolarHBondContact O-N 2.74Å; A9-Q12 PolarHBondContact O-N 2.85Å; A10-Q12 VanDerWaalsContact C-N 3.34Å; A10-Q12 PolarHBondContact O-N 3.4Å; Q12-D14 VanDerWaalsContact C-N 3.26Å; Q12-D14 PolarHBondContact O-N 3.11Å; Q12-Q15 PolarHBondContact O-N 3.23Å; Q12-E16 PolarHBondContact O-N 2.98Å; Q12-E16 VanDerWaalsContact O-N 3.09Å
13	T	79.9	Confident	74	Confident	92 Å²	92	89.7 Å²	89.7	56%	0.564	49%	0.492	S	S	*	.	H	α-helix	trans	-57.7	-41.7	175.3	-53.9	0	0	0	0	111.2	A9 A10 Q15 E16 R17	A9-T13 PolarHBondContact O-N 3.16Å; A9-T13 PolarHBondContact O-OG1 3.2Å; A9-T13 VanDerWaalsContact O-OG1 3.09Å; A10-T13 PolarHBondContact O-N 3.01Å; T13-Q15 PolarHBondContact O-N 2.96Å; T13-E16 PolarHBondContact O-N 2.8Å; T13-R17 WeakPolarHBondContact O-CB 3.46Å; T13-R17 PolarHBondContact O-N 3.18Å
14	D	85	Confident	76.7	Confident	73 Å²	73	82.6 Å²	82.6	39%	0.39	46%	0.455	S	S	.	.	H	α-helix	trans	-70.5	-34	-178.3	-140.7	22.8	0	0	0	112.4	A10 A11 Q12 R17 I18	A10-D14 WeakPolarHBondContact O-CB 3.46Å; A10-D14 PolarHBondContact O-N 3.43Å; A11-D14 PolarHBondContact O-N 3.46Å; Q12-D14 VanDerWaalsContact C-N 3.26Å; Q12-D14 PolarHBondContact O-N 3.11Å; D14-R17 IonicContact OD1-CZ 3.56Å; D14-R17 VanDerWaalsContact OD1-CZ 3.25Å; D14-R17 IonicContact OD1-NE 3.48Å; D14-R17 PolarHBondContact OD1-NE 3.49Å; D14-R17 IonicContact OD1-NH2 3.96Å; D14-R17 PolarHBondContact OD1-NH2 2.7Å; D14-R17 IonicContact OD2-NH2 2.88Å; D14-I18 WeakPolarHBondContact O-CD1 3.35Å; D14-I18 WeakPolarHBondContact O-CG1 3.44Å; D14-I18 PolarHBondContact O-N 2.89Å
15	Q	88.3	Confident	79.5	Confident	140 Å²	140	78.6 Å²	78.6	65%	0.654	43%	0.429	S	S	*	.	H	α-helix	trans	-65	-41.8	172.1	-75.2	-179.8	0.7	0	0	112.6	A11 Q12 T13 I18 R19	A11-Q15 WeakPolarHBondContact O-CG 3.11Å; A11-Q15 PolarHBondContact O-N 3.3Å; A11-Q15 VanDerWaalsContact O-N 3.12Å; Q12-Q15 PolarHBondContact O-N 3.23Å; T13-Q15 PolarHBondContact O-N 2.96Å; Q15-I18 PolarHBondContact O-N 3.23Å; Q15-R19 PolarHBondContact O-N 2.94Å
16	E	87.4	Confident	82	Confident	117 Å²	117	75.3 Å²	75.3	55%	0.547	41%	0.406	S	S	.	.	H	α-helix	trans	-64.2	-45.5	176.5	-176.2	163.6	-157.5	0	0	111.2	Q12 T13 I18 R19 L20	Q12-E16 PolarHBondContact O-N 2.98Å; Q12-E16 VanDerWaalsContact O-N 3.09Å; T13-E16 PolarHBondContact O-N 2.8Å; E16-I18 PolarHBondContact O-N 2.97Å; E16-R19 WeakPolarHBondContact O-CB 3.37Å; E16-R19 PolarHBondContact O-N 3.29Å; E16-R19 VanDerWaalsContact O-N 3.1Å; E16-L20 HydrophobicContact CG-CD1 4.22Å; E16-L20 WeakPolarHBondContact O-CG 3.44Å; E16-L20 PolarHBondContact O-N 3.48Å
17	R	89.6	Confident	83.6	Confident	44 Å²	44	73.5 Å²	73.5	17%	0.166	39%	0.386	C	S	.	.	H	α-helix	trans	-55.3	-47.7	172.5	-175.1	-174.8	67.1	103	-2.2	112	T13 D14 R19 L20 M21 L261	T13-R17 WeakPolarHBondContact O-CB 3.46Å; T13-R17 PolarHBondContact O-N 3.18Å; D14-R17 IonicContact OD1-CZ 3.56Å; D14-R17 VanDerWaalsContact OD1-CZ 3.25Å; D14-R17 IonicContact OD1-NE 3.48Å; D14-R17 PolarHBondContact OD1-NE 3.49Å; D14-R17 IonicContact OD1-NH2 3.96Å; D14-R17 PolarHBondContact OD1-NH2 2.7Å; D14-R17 IonicContact OD2-NH2 2.88Å; R17-R19 VanDerWaalsContact C-N 3.29Å; R17-R19 PolarHBondContact O-N 2.75Å; R17-L20 PolarHBondContact O-N 3.35Å; R17-M21 VanDerWaalsContact O-CB 3.28Å; R17-M21 WeakPolarHBondContact O-CB 3.3Å; R17-M21 PolarHBondContact O-N 3.45Å; R17-L261 HydrophobicContact CG-CB 3.79Å; R17-L261 HydrophobicContact CG-CD1 4.35Å; R17-L261 PolarHBondContact NH1-O 3.34Å
18	I	91.4	Very high	85	Confident	65 Å²	65	69.3 Å²	69.3	33%	0.333	36%	0.36	S	S	.	.	H	α-helix	trans	-61.8	-38.7	178.1	-70.5	164.2	0	0	0	111.2	D14 Q15 E16 K22	D14-I18 WeakPolarHBondContact O-CD1 3.35Å; D14-I18 WeakPolarHBondContact O-CG1 3.44Å; D14-I18 PolarHBondContact O-N 2.89Å; Q15-I18 PolarHBondContact O-N 3.23Å; E16-I18 PolarHBondContact O-N 2.97Å; I18-K22 HydrophobicContact CG2-CD 4.43Å; I18-K22 WeakPolarHBondContact O-CG 3.45Å; I18-K22 PolarHBondContact O-N 3.13Å
19	R	90.2	Very high	86.3	Confident	187 Å²	187	67.3 Å²	67.3	71%	0.706	34%	0.342	S	S	*	.	H	α-helix	trans	-64.9	-49.5	177	179.5	-177	171.7	-174.2	-6.4	111.5	Q15 E16 R17 M21 K22 Q23	Q15-R19 PolarHBondContact O-N 2.94Å; E16-R19 WeakPolarHBondContact O-CB 3.37Å; E16-R19 PolarHBondContact O-N 3.29Å; E16-R19 VanDerWaalsContact O-N 3.1Å; R17-R19 VanDerWaalsContact C-N 3.29Å; R17-R19 PolarHBondContact O-N 2.75Å; R19-M21 VanDerWaalsContact C-N 3.33Å; R19-M21 PolarHBondContact O-N 3.47Å; R19-K22 WeakPolarHBondContact O-CB 3.46Å; R19-K22 PolarHBondContact O-N 2.97Å; R19-Q23 PolarHBondContact O-N 3.39Å; R19-Q23 VanDerWaalsContact O-N 3.07Å
20	L	89.4	Confident	87.5	Confident	55 Å²	55	68.6 Å²	68.6	29%	0.288	34%	0.343	S	S	.	.	H	α-helix	trans	-61.4	-42.3	177.8	-70.5	171	0	0	0	111.5	E16 R17 K22 Q23 L24 L261	E16-L20 HydrophobicContact CG-CD1 4.22Å; E16-L20 WeakPolarHBondContact O-CG 3.44Å; E16-L20 PolarHBondContact O-N 3.48Å; R17-L20 PolarHBondContact O-N 3.35Å; L20-K22 VanDerWaalsContact C-N 3.31Å; L20-K22 PolarHBondContact O-N 3.3Å; L20-Q23 WeakPolarHBondContact O-CB 3.33Å; L20-Q23 PolarHBondContact O-N 3.04Å; L20-Q23 VanDerWaalsContact O-N 3.15Å; L20-L24 PolarHBondContact O-N 3.05Å; L20-L261 HydrophobicContact CB-CD1 3.63Å
21	M	92.5	Very high	88.5	Confident	40 Å²	40	67.6 Å²	67.6	20%	0.197	33%	0.329	C	S	.	.	H	α-helix	trans	-61	-39.6	176.3	-173.9	-179.1	65.3	0	0	111.7	R17 R19 N25 Y260 L261	R17-M21 VanDerWaalsContact O-CB 3.28Å; R17-M21 WeakPolarHBondContact O-CB 3.3Å; R17-M21 PolarHBondContact O-N 3.45Å; R19-M21 VanDerWaalsContact C-N 3.33Å; R19-M21 PolarHBondContact O-N 3.47Å; M21-N25 VanDerWaalsContact O-CB 3.31Å; M21-N25 WeakPolarHBondContact O-CB 3.43Å; M21-N25 PolarHBondContact O-N 3.41Å; M21-N25 PolarHBondContact O-ND2 2.95Å; M21-Y260 HydrophobicContact SD-CD2 4.04Å; M21-L261 HydrophobicContact CB-CB 4.39Å; M21-L261 HydrophobicContact CB-CD1 4.06Å; M21-L261 HydrophobicContact CB-CG 4.09Å
22	K	91.7	Very high	89.3	Confident	139 Å²	139	67.3 Å²	67.3	60%	0.604	32%	0.323	S	S	*	.	H	α-helix	trans	-64.9	-40.1	174.7	-76.6	174.9	180	176.8	0	112.2	I18 R19 L20 N25 A26	I18-K22 HydrophobicContact CG2-CD 4.43Å; I18-K22 WeakPolarHBondContact O-CG 3.45Å; I18-K22 PolarHBondContact O-N 3.13Å; R19-K22 WeakPolarHBondContact O-CB 3.46Å; R19-K22 PolarHBondContact O-N 2.97Å; L20-K22 VanDerWaalsContact C-N 3.31Å; L20-K22 PolarHBondContact O-N 3.3Å; K22-N25 PolarHBondContact O-N 3.24Å; K22-A26 PolarHBondContact O-N 3.05Å
23	Q	89.7	Confident	90.2	Very high	68 Å²	68	61.2 Å²	61.2	32%	0.318	30%	0.295	S	S	.	.	H	α-helix	trans	-63.8	-51.2	176.7	179.6	179.9	-17.3	0	0	111.4	R19 L20 N25 A26 E27	R19-Q23 PolarHBondContact O-N 3.39Å; R19-Q23 VanDerWaalsContact O-N 3.07Å; L20-Q23 WeakPolarHBondContact O-CB 3.33Å; L20-Q23 PolarHBondContact O-N 3.04Å; L20-Q23 VanDerWaalsContact O-N 3.15Å; Q23-N25 VanDerWaalsContact C-N 3.26Å; Q23-N25 PolarHBondContact O-N 3.48Å; Q23-A26 WeakPolarHBondContact O-CB 3.48Å; Q23-A26 PolarHBondContact O-N 3.11Å; Q23-E27 WeakPolarHBondContact CG-OE1 3.46Å; Q23-E27 PolarHBondContact NE2-OE1 2.99Å; Q23-E27 WeakPolarHBondContact O-CG 3.41Å; Q23-E27 PolarHBondContact O-N 2.87Å
24	L	91.5	Very high	90.9	Very high	13 Å²	13	56.8 Å²	56.8	7%	0.068	27%	0.268	C	S	.	.	H	α-helix	trans	-54.6	-44.7	175.9	-77.1	168.3	0	0	0	111.8	L20 A26 E27 L28 L219 W222 A259 L261	L20-L24 PolarHBondContact O-N 3.05Å; L24-A26 VanDerWaalsContact C-N 3.31Å; L24-A26 PolarHBondContact O-N 2.94Å; L24-E27 PolarHBondContact O-N 2.75Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.37Å; L24-L28 PolarHBondContact O-N 3.36Å; L24-L219 HydrophobicContact CD2-CD1 4.47Å; L24-L219 HydrophobicContact CD2-CD2 4.25Å; L24-W222 HydrophobicContact CD1-CZ2 4.3Å; L24-A259 HydrophobicContact CB-CB 4.17Å; L24-L261 HydrophobicContact CD1-CD1 4.01Å; L24-L261 HydrophobicContact CD1-CD2 3.66Å; L24-L261 HydrophobicContact CD1-CG 3.96Å
25	N	93.8	Very high	91.4	Very high	11 Å²	11	54 Å²	54	6%	0.059	25%	0.252	C	S	.	.	H	α-helix	trans	-62.7	-35.7	177.1	-86.7	-62	0	0	0	113.2	M21 K22 Q23 L29 R258 A259	M21-N25 VanDerWaalsContact O-CB 3.31Å; M21-N25 WeakPolarHBondContact O-CB 3.43Å; M21-N25 PolarHBondContact O-N 3.41Å; M21-N25 PolarHBondContact O-ND2 2.95Å; K22-N25 PolarHBondContact O-N 3.24Å; Q23-N25 VanDerWaalsContact C-N 3.26Å; Q23-N25 PolarHBondContact O-N 3.48Å; N25-L29 VanDerWaalsContact O-CG 3.32Å; N25-L29 WeakPolarHBondContact O-CG 3.25Å; N25-R258 WeakPolarHBondContact OD1-CA 3.36Å; N25-R258 WeakPolarHBondContact OD1-CD 3.37Å; N25-A259 PolarHBondContact ND2-O 2.86Å; N25-A259 PolarHBondContact OD1-N 2.93Å
26	A	91.8	Very high	91.7	Very high	3 Å²	3	47.3 Å²	47.3	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-72.3	-34.2	174.7	0	0	0	0	0	112.4	K22 Q23 L24 L28 L29 Q31 K55 E57	K22-A26 PolarHBondContact O-N 3.05Å; Q23-A26 WeakPolarHBondContact O-CB 3.48Å; Q23-A26 PolarHBondContact O-N 3.11Å; L24-A26 VanDerWaalsContact C-N 3.31Å; L24-A26 PolarHBondContact O-N 2.94Å; A26-L28 VanDerWaalsContact C-N 3.34Å; A26-L29 PolarHBondContact O-N 2.81Å; A26-Q31 PolarHBondContact O-NE2 3.31Å; A26-K55 HydrophobicContact CB-CB 4.47Å; A26-E57 HydrophobicContact CB-CB 4.11Å
27	E	90	Very high	92	Very high	64 Å²	64	42.4 Å²	42.4	30%	0.299	20%	0.198	S	C	.	.	H	α-helix	trans	-68.1	-32.7	177.4	-72.5	175.1	-168.5	0	0	113.1	Q23 L24 L29 K55	Q23-E27 WeakPolarHBondContact CG-OE1 3.46Å; Q23-E27 PolarHBondContact NE2-OE1 2.99Å; Q23-E27 WeakPolarHBondContact O-CG 3.41Å; Q23-E27 PolarHBondContact O-N 2.87Å; L24-E27 PolarHBondContact O-N 2.75Å; E27-L29 PolarHBondContact O-N 3.26Å; E27-K55 HydrophobicContact CB-CD 4.45Å; E27-K55 HydrophobicContact CG-CB 4.45Å; E27-K55 HydrophobicContact CG-CD 4.18Å
28	L	91.4	Very high	92	Very high	10 Å²	10	43.6 Å²	43.6	5%	0.052	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-14.1	177.1	-75.1	170.9	0	0	0	114.1	L24 A26 L217 L219 V245 P257 A259	L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.37Å; L24-L28 PolarHBondContact O-N 3.36Å; A26-L28 VanDerWaalsContact C-N 3.34Å; L28-L217 HydrophobicContact CD2-CD1 3.74Å; L28-L217 HydrophobicContact CD2-CD2 4.25Å; L28-L219 HydrophobicContact CD2-CD2 4.31Å; L28-V245 HydrophobicContact CD1-CG1 3.91Å; L28-V245 HydrophobicContact CD1-CG2 4.45Å; L28-V245 HydrophobicContact CD2-CG1 4.15Å; L28-P257 HydrophobicContact CB-CB 4.35Å; L28-P257 HydrophobicContact CB-CG 3.93Å; L28-P257 HydrophobicContact CD1-CB 4.44Å; L28-P257 WeakPolarHBondContact O-CG 3.46Å; L28-A259 HydrophobicContact CD1-CB 3.7Å
29	L	91.1	Very high	91.7	Very high	6 Å²	6	42 Å²	42	3%	0.031	20%	0.199	C	C	.	.	S	Bend	trans	-79.4	143	-178	-56.8	-175.3	0	0	0	112	N25 A26 E27 Q31 Y35 P48 E57 L256	N25-L29 VanDerWaalsContact O-CG 3.32Å; N25-L29 WeakPolarHBondContact O-CG 3.25Å; A26-L29 PolarHBondContact O-N 2.81Å; E27-L29 PolarHBondContact O-N 3.26Å; L29-Q31 PolarHBondContact O-N 3.39Å; L29-Q31 PolarHBondContact O-NE2 2.93Å; L29-Y35 HydrophobicContact CB-CE2 4.17Å; L29-Y35 HydrophobicContact CD2-CE2 4.06Å; L29-Y35 HydrophobicContact CG-CE2 4.46Å; L29-P48 HydrophobicContact CB-CB 4.05Å; L29-P48 HydrophobicContact CB-CG 3.71Å; L29-P48 HydrophobicContact CD1-CB 4.25Å; L29-P48 HydrophobicContact CD1-CG 3.79Å; L29-P48 HydrophobicContact CG-CG 4.36Å; L29-E57 HydrophobicContact CD1-CB 3.98Å; L29-E57 HydrophobicContact CD1-CG 3.77Å; L29-L256 HydrophobicContact CD2-CD1 3.32Å; L29-L256 HydrophobicContact CD2-CG 4.24Å
30	D	90.6	Very high	91.3	Very high	72 Å²	72	42.5 Å²	42.5	39%	0.385	21%	0.209	S	C	.	.			trans	-67.8	116.5	164.7	-174.6	-23	0	0	0	108.6	S32 V33 Y35 P48	D30-S32 PolarHBondContact O-N 2.96Å; D30-S32 VanDerWaalsContact O-N 3.08Å; D30-S32 WeakPolarHBondContact OD1-CB 3.22Å; D30-S32 PolarHBondContact OD1-N 2.95Å; D30-S32 PolarHBondContact OD1-OG 3.27Å; D30-S32 PolarHBondContact OD2-OG 3.09Å; D30-V33 HydrophobicContact CB-CB 4.33Å; D30-V33 HydrophobicContact CB-CG2 3.96Å; D30-V33 PolarHBondContact O-N 2.81Å; D30-Y35 VanDerWaalsContact CB-OH 3.31Å; D30-Y35 WeakPolarHBondContact CB-OH 3.46Å; D30-Y35 PolarHBondContact N-OH 3.09Å; D30-P48 WeakPolarHBondContact O-CG 3.38Å
31	Q	91.2	Very high	91.3	Very high	39 Å²	39	44.5 Å²	44.5	18%	0.182	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-4.6	-175.8	-55.6	-59.2	-60.1	0	0	113.5	A26 L29 K55 Y150	A26-Q31 PolarHBondContact O-NE2 3.31Å; L29-Q31 PolarHBondContact O-N 3.39Å; L29-Q31 PolarHBondContact O-NE2 2.93Å; Q31-K55 HydrophobicContact CG-CD 4.43Å; Q31-Y150 VanDerWaalsContact O-CE1 3.28Å; Q31-Y150 WeakPolarHBondContact O-CE1 3.28Å
32	S	93.1	Very high	91.4	Very high	43 Å²	43	45.8 Å²	45.8	30%	0.301	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	9.4	178.2	72.5	0	0	0	0	113.8	D30 Y150 R151	D30-S32 PolarHBondContact O-N 2.96Å; D30-S32 VanDerWaalsContact O-N 3.08Å; D30-S32 WeakPolarHBondContact OD1-CB 3.22Å; D30-S32 PolarHBondContact OD1-N 2.95Å; D30-S32 PolarHBondContact OD1-OG 3.27Å; D30-S32 PolarHBondContact OD2-OG 3.09Å; S32-Y150 CarbonylContact O-C 3.56Å; S32-Y150 VanDerWaalsContact O-CA 3.3Å; S32-Y150 WeakPolarHBondContact O-CA 3.1Å; S32-R151 PolarHBondContact O-N 2.75Å
33	V	94.3	Very high	91.6	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.024	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.7	-176.7	-177.9	0	0	0	0	111.2	D30 Y35 P48 R151 V153	D30-V33 HydrophobicContact CB-CB 4.33Å; D30-V33 HydrophobicContact CB-CG2 3.96Å; D30-V33 PolarHBondContact O-N 2.81Å; V33-Y35 HydrophobicContact CB-CD1 4.28Å; V33-Y35 HydrophobicContact CB-CE1 3.8Å; V33-Y35 HydrophobicContact CB-CE2 4.25Å; V33-Y35 HydrophobicContact CG1-CD1 3.42Å; V33-Y35 VanDerWaalsContact CG1-CD1 3.42Å; V33-Y35 HydrophobicContact CG1-CD2 4.47Å; V33-Y35 HydrophobicContact CG1-CE1 3.34Å; V33-Y35 HydrophobicContact CG1-CE2 4.35Å; V33-Y35 HydrophobicContact CG1-CG 4.08Å; V33-P48 WeakPolarHBondContact O-CD 3.31Å; V33-P48 WeakPolarHBondContact O-CG 3.43Å; V33-R151 WeakPolarHBondContact CA-O 3.28Å; V33-V153 HydrophobicContact CG1-CB 3.88Å; V33-V153 HydrophobicContact CG1-CG2 3.62Å
34	L	95.4	Very high	91.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	113.6	163.8	173.3	72.7	0	0	0	107.9	V36 L45 L47 M75 F135 M143 R151 I152 V153	L34-V36 HydrophobicContact CG-CG2 4.42Å; L34-L45 HydrophobicContact CD1-CB 4.35Å; L34-L47 HydrophobicContact CB-CD1 4.4Å; L34-L47 HydrophobicContact CD1-CB 3.77Å; L34-L47 HydrophobicContact CD1-CD1 3.81Å; L34-L47 HydrophobicContact CD1-CG 4.38Å; L34-M75 HydrophobicContact CD1-CE 3.94Å; L34-M75 HydrophobicContact CD2-CE 4.35Å; L34-F135 HydrophobicContact CD2-CD1 3.52Å; L34-F135 HydrophobicContact CD2-CE1 3.48Å; L34-F135 VanDerWaalsContact CD2-CE1 3.48Å; L34-M143 HydrophobicContact CD2-CE 3.72Å; L34-R151 PolarHBondContact N-O 3.21Å; L34-I152 HydrophobicContact CD2-CG1 4.14Å; L34-V153 PolarHBondContact O-N 2.87Å
35	Y	94.7	Very high	92.1	Very high	13 Å²	13	38.1 Å²	38.1	5%	0.051	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	132.9	-179.3	-47.1	-81.8	0	0	0	110.9	L29 D30 V33 L45 L46 P48 M156 L256	L29-Y35 HydrophobicContact CB-CE2 4.17Å; L29-Y35 HydrophobicContact CD2-CE2 4.06Å; L29-Y35 HydrophobicContact CG-CE2 4.46Å; D30-Y35 VanDerWaalsContact CB-OH 3.31Å; D30-Y35 WeakPolarHBondContact CB-OH 3.46Å; D30-Y35 PolarHBondContact N-OH 3.09Å; V33-Y35 HydrophobicContact CB-CD1 4.28Å; V33-Y35 HydrophobicContact CB-CE1 3.8Å; V33-Y35 HydrophobicContact CB-CE2 4.25Å; V33-Y35 HydrophobicContact CG1-CD1 3.42Å; V33-Y35 VanDerWaalsContact CG1-CD1 3.42Å; V33-Y35 HydrophobicContact CG1-CD2 4.47Å; V33-Y35 HydrophobicContact CG1-CE1 3.34Å; V33-Y35 HydrophobicContact CG1-CE2 4.35Å; V33-Y35 HydrophobicContact CG1-CG 4.08Å; Y35-L45 CarbonylContact O-C 3.56Å; Y35-L45 WeakPolarHBondContact O-CA 3.43Å; Y35-L46 HydrophobicContact CD2-CB 4.2Å; Y35-L46 PolarHBondContact N-O 3.24Å; Y35-L46 PolarHBondContact O-N 3.21Å; Y35-P48 HydrophobicContact CD2-CG 4.31Å; Y35-P48 HydrophobicContact CE2-CG 3.83Å; Y35-M156 HydrophobicContact CD1-CE 3.79Å; Y35-M156 HydrophobicContact CD1-SD 3.16Å; Y35-M156 WeakPolarHBondContact CD1-SD 3.32Å; Y35-M156 HydrophobicContact CE1-CE 3.7Å; Y35-M156 HydrophobicContact CE1-SD 3.75Å; Y35-M156 HydrophobicContact CG-SD 4.01Å; Y35-L256 HydrophobicContact CD1-CD1 4.11Å; Y35-L256 HydrophobicContact CD2-CD1 3.93Å; Y35-L256 HydrophobicContact CE1-CD1 3.91Å; Y35-L256 HydrophobicContact CE2-CD1 3.78Å; Y35-L256 HydrophobicContact CG-CD1 4.05Å
36	V	95	Very high	92.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	108.1	-177.7	-173.7	0	0	0	0	108.3	L34 L43 L45 F135 F136 I152 V153 S154	L34-V36 HydrophobicContact CG-CG2 4.42Å; V36-L43 HydrophobicContact CG1-CD1 4.33Å; V36-L45 HydrophobicContact CG2-CG 4.43Å; V36-F135 HydrophobicContact CG1-CB 4.04Å; V36-F135 WeakPolarHBondContact CG1-O 3.44Å; V36-F135 HydrophobicContact CG2-CB 3.92Å; V36-F135 VanDerWaalsContact CG2-O 3.31Å; V36-F135 WeakPolarHBondContact CG2-O 3.37Å; V36-F136 HydrophobicContact CG1-CD2 4.26Å; V36-I152 HydrophobicContact CG2-CG2 3.87Å; V36-V153 PolarHBondContact N-O 2.91Å; V36-S154 WeakPolarHBondContact O-CA 3.44Å
37	L	92.6	Very high	92.4	Very high	14 Å²	14	37.5 Å²	37.5	7%	0.073	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	133.2	-175	-53.3	178.4	0	0	0	109.8	K44 L46 M156 T158 L256	L37-K44 HydrophobicContact CB-CB 4.17Å; L37-K44 HydrophobicContact CD1-CD 4.27Å; L37-K44 PolarHBondContact N-O 2.96Å; L37-K44 PolarHBondContact O-N 3.37Å; L37-L46 HydrophobicContact CD1-CD1 3.5Å; L37-L46 HydrophobicContact CD1-CG 4.2Å; L37-L46 HydrophobicContact CG-CD1 4.34Å; L37-M156 HydrophobicContact CD2-CG 4.34Å; L37-T158 HydrophobicContact CD1-CG2 3.89Å; L37-T158 HydrophobicContact CD2-CG2 3.95Å; L37-T158 WeakPolarHBondContact CD2-OG1 3.32Å; L37-L256 HydrophobicContact CD1-CD2 4.33Å
38	E	89.9	Confident	92.5	Very high	69 Å²	69	34.4 Å²	34.4	32%	0.322	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	140.8	174.9	-165.3	174.6	-149.9	0	0	111.3	R64 F136 R181	E38-R64 VanDerWaalsContact CD-NH2 3.29Å; E38-R64 IonicContact OE1-CZ 3.81Å; E38-R64 VanDerWaalsContact OE1-CZ 3.23Å; E38-R64 IonicContact OE1-NH1 3.86Å; E38-R64 PolarHBondContact OE1-NH1 2.92Å; E38-R64 IonicContact OE1-NH2 2.91Å; E38-R64 PolarHBondContact OE1-NH2 3.19Å; E38-F136 HydrophobicContact CB-CE2 4.36Å; E38-R181 PolarHBondContact O-NH1 2.92Å
39	T	86.2	Confident	92.6	Very high	33 Å²	33	34.9 Å²	34.9	20%	0.202	17%	0.174	C	C	.	.			trans	-129.2	171.4	165.7	63.2	0	0	0	0	108.9	D41 K42 K44 M61 R64	T39-D41 VanDerWaalsContact C-N 3.35Å; T39-D41 PolarHBondContact O-N 2.93Å; T39-K42 WeakPolarHBondContact CA-O 3.46Å; T39-K42 PolarHBondContact N-O 3.4Å; T39-K42 VanDerWaalsContact OG1-C 3.25Å; T39-K42 WeakPolarHBondContact OG1-CB 3.35Å; T39-K42 PolarHBondContact OG1-N 3.47Å; T39-K42 PolarHBondContact OG1-O 2.7Å; T39-K44 HydrophobicContact CG2-CB 4.22Å; T39-M61 HydrophobicContact CG2-CE 4.03Å; T39-R64 PolarHBondContact O-NH2 3.05Å
40	E	81.5	Confident	92.4	Very high	196 Å²	196	36.9 Å²	36.9	92%	0.916	19%	0.191	S	C	*	.	S	Bend	trans	-47.4	-50.9	-171.3	-68.6	179.9	179.4	0	0	113.6
41	D	88.9	Confident	92	Very high	98 Å²	98	35.6 Å²	35.6	52%	0.524	19%	0.186	S	C	.	.	S	Bend	trans	-115.7	-10.3	-177.5	67.4	-29.5	0	0	0	114	T39	T39-D41 VanDerWaalsContact C-N 3.35Å; T39-D41 PolarHBondContact O-N 2.93Å
42	K	95.2	Very high	91.5	Very high	67 Å²	67	37.5 Å²	37.5	29%	0.291	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	164.1	-166.4	-75.5	163.8	-172.6	151.8	0	113	T39 M61 R62	T39-K42 WeakPolarHBondContact CA-O 3.46Å; T39-K42 PolarHBondContact N-O 3.4Å; T39-K42 VanDerWaalsContact OG1-C 3.25Å; T39-K42 WeakPolarHBondContact OG1-CB 3.35Å; T39-K42 PolarHBondContact OG1-N 3.47Å; T39-K42 PolarHBondContact OG1-O 2.7Å; K42-M61 HydrophobicContact CB-CE 4.28Å; K42-R62 CarbonylContact C-O 3.57Å; K42-R62 WeakPolarHBondContact CA-O 3.49Å; K42-R62 VanDerWaalsContact CB-O 3.29Å; K42-R62 WeakPolarHBondContact CB-O 3.28Å
43	L	95.4	Very high	90.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	134.8	164.7	-61.3	-179.2	0	0	0	110	V36 L45 M61 R62 R64 T131 E132 F136	V36-L43 HydrophobicContact CG1-CD1 4.33Å; L43-L45 HydrophobicContact CB-CD1 3.89Å; L43-M61 WeakPolarHBondContact O-CA 3.46Å; L43-R62 PolarHBondContact N-O 3.48Å; L43-R62 PolarHBondContact O-N 3.27Å; L43-R64 HydrophobicContact CG-CG 4.1Å; L43-T131 HydrophobicContact CD1-CG2 4.09Å; L43-E132 HydrophobicContact CD1-CB 4.15Å; L43-F136 HydrophobicContact CD1-CB 3.98Å; L43-F136 HydrophobicContact CD2-CD2 4.07Å; L43-F136 HydrophobicContact CD2-CG 4.39Å
44	K	95.6	Very high	90	Very high	59 Å²	59	43.9 Å²	43.9	26%	0.257	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	108.1	170.2	175.9	177.4	173.6	-177.8	0	108.4	L37 T39 L46 V59 F60 M61	L37-K44 HydrophobicContact CB-CB 4.17Å; L37-K44 HydrophobicContact CD1-CD 4.27Å; L37-K44 PolarHBondContact N-O 2.96Å; L37-K44 PolarHBondContact O-N 3.37Å; T39-K44 HydrophobicContact CG2-CB 4.22Å; K44-L46 HydrophobicContact CD-CD2 4.47Å; K44-L46 VanDerWaalsContact CE-CD2 3.46Å; K44-L46 HydrophobicContact CG-CD2 4.25Å; K44-L46 HydrophobicContact CG-CG 4.44Å; K44-V59 HydrophobicContact CD-CG1 4.38Å; K44-V59 HydrophobicContact CG-CG1 4.06Å; K44-F60 WeakPolarHBondContact CA-O 3.23Å; K44-M61 HydrophobicContact CB-CE 4.12Å; K44-M61 HydrophobicContact CB-SD 3.54Å; K44-M61 VanDerWaalsContact CB-SD 3.54Å; K44-M61 HydrophobicContact CD-SD 3.99Å; K44-M61 HydrophobicContact CG-SD 3.64Å
45	L	96	Very high	89.7	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.7	175.7	-63.2	78.9	0	0	0	109.1	L34 Y35 V36 L43 F60 R62 T71 M75 T131 F135	L34-L45 HydrophobicContact CD1-CB 4.35Å; Y35-L45 CarbonylContact O-C 3.56Å; Y35-L45 WeakPolarHBondContact O-CA 3.43Å; V36-L45 HydrophobicContact CG2-CG 4.43Å; L43-L45 HydrophobicContact CB-CD1 3.89Å; L45-F60 HydrophobicContact CB-CB 4.28Å; L45-F60 PolarHBondContact N-O 3.02Å; L45-F60 PolarHBondContact O-N 3.22Å; L45-R62 HydrophobicContact CD1-CB 4.15Å; L45-R62 HydrophobicContact CD1-CG 3.85Å; L45-T71 HydrophobicContact CD2-CG2 3.85Å; L45-M75 HydrophobicContact CB-CE 4.15Å; L45-M75 HydrophobicContact CD2-CE 3.53Å; L45-T131 HydrophobicContact CD1-CG2 4.31Å; L45-F135 HydrophobicContact CD2-CB 4.02Å; L45-F135 HydrophobicContact CD2-CD1 3.63Å; L45-F135 HydrophobicContact CD2-CD2 3.64Å; L45-F135 HydrophobicContact CD2-CE1 3.91Å; L45-F135 HydrophobicContact CD2-CE2 3.9Å; L45-F135 HydrophobicContact CD2-CG 3.47Å; L45-F135 VanDerWaalsContact CD2-CG 3.47Å; L45-F135 HydrophobicContact CD2-CZ 4.03Å
46	L	95.4	Very high	89.5	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	112.4	176.1	-60.8	176.7	0	0	0	108.7	Y35 L37 K44 P48 E57 V59 L256	Y35-L46 HydrophobicContact CD2-CB 4.2Å; Y35-L46 PolarHBondContact N-O 3.24Å; Y35-L46 PolarHBondContact O-N 3.21Å; L37-L46 HydrophobicContact CD1-CD1 3.5Å; L37-L46 HydrophobicContact CD1-CG 4.2Å; L37-L46 HydrophobicContact CG-CD1 4.34Å; K44-L46 HydrophobicContact CD-CD2 4.47Å; K44-L46 VanDerWaalsContact CE-CD2 3.46Å; K44-L46 HydrophobicContact CG-CD2 4.25Å; K44-L46 HydrophobicContact CG-CG 4.44Å; L46-P48 WeakPolarHBondContact O-CD 3.12Å; L46-E57 VanDerWaalsContact CD1-OE1 3.26Å; L46-E57 WeakPolarHBondContact CD1-OE1 3.41Å; L46-E57 HydrophobicContact CD2-CG 4.09Å; L46-E57 WeakPolarHBondContact CD2-OE1 3.48Å; L46-V59 HydrophobicContact CD2-CB 4.14Å; L46-V59 HydrophobicContact CD2-CG1 3.97Å; L46-V59 HydrophobicContact CD2-CG2 3.63Å; L46-L256 HydrophobicContact CD1-CD2 3.63Å
47	L	95.8	Very high	89.3	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	104.7	178.6	-179	69.5	0	0	0	109.1	L34 L58 F60 M75 I79 I145 Y150	L34-L47 HydrophobicContact CB-CD1 4.4Å; L34-L47 HydrophobicContact CD1-CB 3.77Å; L34-L47 HydrophobicContact CD1-CD1 3.81Å; L34-L47 HydrophobicContact CD1-CG 4.38Å; L47-L58 HydrophobicContact CB-CB 4.21Å; L47-L58 HydrophobicContact CD2-CD1 4.31Å; L47-L58 PolarHBondContact N-O 3.05Å; L47-L58 WeakPolarHBondContact O-CB 3.45Å; L47-L58 PolarHBondContact O-N 3.05Å; L47-F60 HydrophobicContact CB-CE2 4.16Å; L47-M75 HydrophobicContact CD2-CG 4.4Å; L47-M75 HydrophobicContact CD2-SD 4.47Å; L47-I79 HydrophobicContact CD2-CD1 4.01Å; L47-I145 HydrophobicContact CD1-CD1 4.44Å; L47-I145 HydrophobicContact CD2-CD1 3.92Å; L47-Y150 HydrophobicContact CD1-CD1 3.6Å; L47-Y150 HydrophobicContact CD1-CD2 3.87Å; L47-Y150 HydrophobicContact CD1-CE1 3.48Å; L47-Y150 VanDerWaalsContact CD1-CE1 3.48Å; L47-Y150 HydrophobicContact CD1-CE2 3.76Å; L47-Y150 HydrophobicContact CD1-CG 3.77Å; L47-Y150 HydrophobicContact CG-CE1 4.43Å
48	P	94	Very high	89.5	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	132.2	168.7	-17	31.7	0	0	0	109.9	L29 D30 V33 Y35 L46 Y150	L29-P48 HydrophobicContact CB-CB 4.05Å; L29-P48 HydrophobicContact CB-CG 3.71Å; L29-P48 HydrophobicContact CD1-CB 4.25Å; L29-P48 HydrophobicContact CD1-CG 3.79Å; L29-P48 HydrophobicContact CG-CG 4.36Å; D30-P48 WeakPolarHBondContact O-CG 3.38Å; V33-P48 WeakPolarHBondContact O-CD 3.31Å; V33-P48 WeakPolarHBondContact O-CG 3.43Å; Y35-P48 HydrophobicContact CD2-CG 4.31Å; Y35-P48 HydrophobicContact CE2-CG 3.83Å; L46-P48 WeakPolarHBondContact O-CD 3.12Å; P48-Y150 WeakPolarHBondContact O-CE1 3.12Å; P48-Y150 PolarHBondContact O-OH 3.38Å
49	F	92.4	Very high	89.7	Confident	20 Å²	20	49.1 Å²	49.1	9%	0.088	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	130.7	178.9	-167	-95	0	0	0	110.1	T51 T56 L58 I79 L82 Y150	F49-T51 HydrophobicContact CD1-CG2 4.06Å; F49-T51 HydrophobicContact CE1-CG2 3.74Å; F49-T56 PolarHBondContact N-O 2.87Å; F49-T56 PolarHBondContact O-N 3.27Å; F49-L58 HydrophobicContact CB-CD1 4.15Å; F49-L58 HydrophobicContact CB-CG 4.46Å; F49-I79 HydrophobicContact CD2-CD1 4.2Å; F49-I79 HydrophobicContact CD2-CG1 4.07Å; F49-I79 HydrophobicContact CD2-CG2 4.48Å; F49-I79 HydrophobicContact CE1-CG2 4.09Å; F49-I79 HydrophobicContact CE2-CD1 4.2Å; F49-I79 HydrophobicContact CE2-CG1 4.12Å; F49-I79 HydrophobicContact CE2-CG2 3.74Å; F49-I79 HydrophobicContact CG-CG1 4.44Å; F49-I79 HydrophobicContact CZ-CG2 3.52Å; F49-L82 HydrophobicContact CD1-CD1 4.16Å; F49-Y150 WeakPolarHBondContact CD2-OH 3.24Å
50	A	87.8	Confident	90.2	Very high	48 Å²	48	47.9 Å²	47.9	40%	0.397	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.4	179.3	0	0	0	0	0	111	D54 K55	A50-D54 CarbonylContact C-O 3.59Å; A50-D54 WeakPolarHBondContact CA-O 3.24Å; A50-K55 HydrophobicContact CB-CG 4.34Å
51	T	82.1	Confident	90.9	Very high	45 Å²	45	42.9 Å²	42.9	28%	0.276	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	98.1	169.8	51.4	0	0	0	0	109	F49 V53 D54 L82	F49-T51 HydrophobicContact CD1-CG2 4.06Å; F49-T51 HydrophobicContact CE1-CG2 3.74Å; T51-V53 PolarHBondContact O-N 2.8Å; T51-V53 VanDerWaalsContact O-N 3.13Å; T51-D54 PolarHBondContact N-O 2.86Å; T51-D54 PolarHBondContact O-N 2.89Å; T51-L82 HydrophobicContact CG2-CB 4.16Å
52	G	79.3	Confident	91.3	Very high	78 Å²	78	39.7 Å²	39.7	80%	0.804	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	-112.7	-173.1	0	0	0	0	0	111
53	V	75.6	Confident	91.3	Very high	98 Å²	98	42.3 Å²	42.3	59%	0.594	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-24	179.9	-170.9	0	0	0	0	112.2	T51	T51-V53 PolarHBondContact O-N 2.8Å; T51-V53 VanDerWaalsContact O-N 3.13Å
54	D	82.2	Confident	91.3	Very high	84 Å²	84	44.4 Å²	44.4	45%	0.449	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	123	-173.8	-68.6	-20.6	0	0	0	110.9	A50 T51	A50-D54 CarbonylContact C-O 3.59Å; A50-D54 WeakPolarHBondContact CA-O 3.24Å; T51-D54 PolarHBondContact N-O 2.86Å; T51-D54 PolarHBondContact O-N 2.89Å
55	K	88.4	Confident	91.4	Very high	52 Å²	52	50.6 Å²	50.6	23%	0.226	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	134.5	170.6	-67.5	176.5	178.8	177.7	0	110.4	A26 E27 Q31 A50	A26-K55 HydrophobicContact CB-CB 4.47Å; E27-K55 HydrophobicContact CB-CD 4.45Å; E27-K55 HydrophobicContact CG-CB 4.45Å; E27-K55 HydrophobicContact CG-CD 4.18Å; Q31-K55 HydrophobicContact CG-CD 4.43Å; A50-K55 HydrophobicContact CB-CG 4.34Å
56	T	90.3	Very high	91.3	Very high	47 Å²	47	51.5 Å²	51.5	29%	0.288	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	141.3	179.3	-57.3	0	0	0	0	110.8	F49 L58	F49-T56 PolarHBondContact N-O 2.87Å; F49-T56 PolarHBondContact O-N 3.27Å; T56-L58 HydrophobicContact CG2-CD2 4.4Å
57	E	91.6	Very high	91.4	Very high	39 Å²	39	55.4 Å²	55.4	18%	0.182	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	110.3	170.2	179.7	-178.7	-158.7	0	0	109.8	A26 L29 L46 V59 R258	A26-E57 HydrophobicContact CB-CB 4.11Å; L29-E57 HydrophobicContact CD1-CB 3.98Å; L29-E57 HydrophobicContact CD1-CG 3.77Å; L46-E57 VanDerWaalsContact CD1-OE1 3.26Å; L46-E57 WeakPolarHBondContact CD1-OE1 3.41Å; L46-E57 HydrophobicContact CD2-CG 4.09Å; L46-E57 WeakPolarHBondContact CD2-OE1 3.48Å; E57-V59 HydrophobicContact CG-CG2 4.25Å; E57-R258 IonicContact OE1-CZ 3.25Å; E57-R258 IonicContact OE1-NH1 3.68Å; E57-R258 PolarHBondContact OE1-NH1 2.92Å; E57-R258 IonicContact OE1-NH2 3.75Å; E57-R258 PolarHBondContact OE1-NH2 3.47Å; E57-R258 IonicContact OE2-CZ 3.82Å; E57-R258 IonicContact OE2-NH1 3.36Å; E57-R258 PolarHBondContact OE2-NH1 3.48Å; E57-R258 IonicContact OE2-NH2 3.72Å; E57-R258 PolarHBondContact OE2-NH2 3.28Å
58	L	95	Very high	91.4	Very high	14 Å²	14	55.4 Å²	55.4	7%	0.073	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	116.7	173.3	-64.8	179	0	0	0	110.4	L47 F49 T56 F60 K78 I79 L82	L47-L58 HydrophobicContact CB-CB 4.21Å; L47-L58 HydrophobicContact CD2-CD1 4.31Å; L47-L58 PolarHBondContact N-O 3.05Å; L47-L58 WeakPolarHBondContact O-CB 3.45Å; L47-L58 PolarHBondContact O-N 3.05Å; F49-L58 HydrophobicContact CB-CD1 4.15Å; F49-L58 HydrophobicContact CB-CG 4.46Å; T56-L58 HydrophobicContact CG2-CD2 4.4Å; L58-F60 HydrophobicContact CB-CE2 3.57Å; L58-F60 HydrophobicContact CB-CZ 3.92Å; L58-F60 HydrophobicContact CD1-CZ 4.31Å; L58-K78 HydrophobicContact CD1-CB 4.28Å; L58-K78 HydrophobicContact CD2-CB 4.29Å; L58-K78 HydrophobicContact CD2-CD 4.11Å; L58-I79 HydrophobicContact CD1-CG1 3.87Å; L58-L82 HydrophobicContact CD1-CD1 4.22Å; L58-L82 HydrophobicContact CD2-CD1 3.74Å; L58-L82 HydrophobicContact CG-CD1 4.25Å
59	V	95.3	Very high	91.5	Very high	54 Å²	54	56.1 Å²	56.1	33%	0.327	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.8	178.8	-171.5	0	0	0	0	111.1	K44 L46 E57 K78	K44-V59 HydrophobicContact CD-CG1 4.38Å; K44-V59 HydrophobicContact CG-CG1 4.06Å; L46-V59 HydrophobicContact CD2-CB 4.14Å; L46-V59 HydrophobicContact CD2-CG1 3.97Å; L46-V59 HydrophobicContact CD2-CG2 3.63Å; E57-V59 HydrophobicContact CG-CG2 4.25Å; V59-K78 PolarHBondContact O-NZ 2.82Å
60	F	96.8	Very high	91.7	Very high	7 Å²	7	58.9 Å²	58.9	3%	0.031	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	114.2	173.8	-52.7	-93.5	0	0	0	110.5	K44 L45 L47 L58 R62 R74 M75 K78	K44-F60 WeakPolarHBondContact CA-O 3.23Å; L45-F60 HydrophobicContact CB-CB 4.28Å; L45-F60 PolarHBondContact N-O 3.02Å; L45-F60 PolarHBondContact O-N 3.22Å; L47-F60 HydrophobicContact CB-CE2 4.16Å; L58-F60 HydrophobicContact CB-CE2 3.57Å; L58-F60 HydrophobicContact CB-CZ 3.92Å; L58-F60 HydrophobicContact CD1-CZ 4.31Å; F60-R62 HydrophobicContact CB-CG 4.13Å; F60-R74 HydrophobicContact CD1-CB 4.25Å; F60-R74 HydrophobicContact CE1-CB 4.24Å; F60-M75 HydrophobicContact CD1-CG 4.35Å; F60-M75 HydrophobicContact CD2-CE 4.15Å; F60-M75 HydrophobicContact CD2-CG 4.15Å; F60-M75 HydrophobicContact CE1-CB 4.4Å; F60-M75 HydrophobicContact CE1-CG 3.93Å; F60-M75 HydrophobicContact CE2-CE 4.4Å; F60-M75 HydrophobicContact CE2-CG 3.71Å; F60-M75 HydrophobicContact CG-CG 4.46Å; F60-M75 HydrophobicContact CZ-CB 4.06Å; F60-M75 HydrophobicContact CZ-CG 3.6Å; F60-K78 HydrophobicContact CD1-CD 4.42Å; F60-K78 HydrophobicContact CE1-CB 4.37Å; F60-K78 HydrophobicContact CE1-CD 3.52Å; F60-K78 HydrophobicContact CE1-CG 3.97Å; F60-K78 HydrophobicContact CZ-CB 4.24Å; F60-K78 HydrophobicContact CZ-CD 3.72Å; F60-K78 HydrophobicContact CZ-CG 4.27Å
61	M	96.3	Very high	92.1	Very high	90 Å²	90	56.6 Å²	56.6	44%	0.443	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	117.3	169.6	-61	-57.4	-61.3	0	0	108.7	T39 K42 L43 K44	T39-M61 HydrophobicContact CG2-CE 4.03Å; K42-M61 HydrophobicContact CB-CE 4.28Å; L43-M61 WeakPolarHBondContact O-CA 3.46Å; K44-M61 HydrophobicContact CB-CE 4.12Å; K44-M61 HydrophobicContact CB-SD 3.54Å; K44-M61 VanDerWaalsContact CB-SD 3.54Å; K44-M61 HydrophobicContact CD-SD 3.99Å; K44-M61 HydrophobicContact CG-SD 3.64Å
62	R	96.7	Very high	92.7	Very high	32 Å²	32	55 Å²	55	12%	0.121	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.5	-171.8	-55.9	-57.7	-54.8	137.9	-0	111.1	K42 L43 L45 F60 T71 T131	K42-R62 CarbonylContact C-O 3.57Å; K42-R62 WeakPolarHBondContact CA-O 3.49Å; K42-R62 VanDerWaalsContact CB-O 3.29Å; K42-R62 WeakPolarHBondContact CB-O 3.28Å; L43-R62 PolarHBondContact N-O 3.48Å; L43-R62 PolarHBondContact O-N 3.27Å; L45-R62 HydrophobicContact CD1-CB 4.15Å; L45-R62 HydrophobicContact CD1-CG 3.85Å; F60-R62 HydrophobicContact CB-CG 4.13Å; R62-T71 HydrophobicContact CG-CG2 3.74Å; R62-T71 WeakPolarHBondContact CG-OG1 3.28Å; R62-T71 PolarHBondContact NE-OG1 2.91Å; R62-T131 HydrophobicContact CB-CG2 3.72Å; R62-T131 HydrophobicContact CG-CG2 4.38Å
63	E	96.3	Very high	93.5	Very high	122 Å²	122	53.7 Å²	53.7	57%	0.57	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	138.2	170.4	-68.1	175.8	-167.8	0	0	109.8	K65 A66	E63-K65 VanDerWaalsContact C-N 3.33Å; E63-K65 PolarHBondContact O-N 2.88Å; E63-A66 HydrophobicContact CB-CB 4.02Å; E63-A66 PolarHBondContact O-N 3.22Å
64	R	95.6	Very high	94.5	Very high	44 Å²	44	55.5 Å²	55.5	17%	0.166	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-46.4	-176.3	-68.4	170.7	-175.8	-106.7	10.2	112.4	E38 T39 L43 T131 E132	E38-R64 VanDerWaalsContact CD-NH2 3.29Å; E38-R64 IonicContact OE1-CZ 3.81Å; E38-R64 VanDerWaalsContact OE1-CZ 3.23Å; E38-R64 IonicContact OE1-NH1 3.86Å; E38-R64 PolarHBondContact OE1-NH1 2.92Å; E38-R64 IonicContact OE1-NH2 2.91Å; E38-R64 PolarHBondContact OE1-NH2 3.19Å; T39-R64 PolarHBondContact O-NH2 3.05Å; L43-R64 HydrophobicContact CG-CG 4.1Å; R64-T131 PolarHBondContact O-N 2.94Å; R64-E132 HydrophobicContact CB-CB 4Å; R64-E132 HydrophobicContact CB-CG 4.48Å; R64-E132 WeakPolarHBondContact CD-OE1 3.41Å; R64-E132 IonicContact CZ-OE1 2.7Å; R64-E132 IonicContact NH1-OE1 3.75Å; R64-E132 PolarHBondContact NH1-OE1 2.92Å; R64-E132 WeakPolarHBondContact O-CB 3.37Å; R64-E132 PolarHBondContact O-N 2.88Å
65	K	95.6	Very high	95.1	Very high	188 Å²	188	51.5 Å²	51.5	82%	0.817	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-4.6	-176	-62.1	-175.7	179.1	-180	0	114.6	E63	E63-K65 VanDerWaalsContact C-N 3.33Å; E63-K65 PolarHBondContact O-N 2.88Å
66	A	95.7	Very high	95.4	Very high	20 Å²	20	49.4 Å²	49.4	17%	0.165	24%	0.24	C	C	.	.	S	Bend	trans	-68.5	149.1	175	0	0	0	0	0	110.3	E63 A68 S130 T131	E63-A66 HydrophobicContact CB-CB 4.02Å; E63-A66 PolarHBondContact O-N 3.22Å; A66-A68 PolarHBondContact O-N 2.84Å; A66-S130 CarbonylContact O-C 3.54Å; A66-S130 WeakPolarHBondContact O-CA 3.26Å; A66-T131 WeakPolarHBondContact O-CB 3.31Å; A66-T131 PolarHBondContact O-N 2.86Å; A66-T131 PolarHBondContact O-OG1 3.09Å
67	L	97.6	Very high	95.6	Very high	81 Å²	81	52.1 Å²	52.1	42%	0.424	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-56.2	135	178.9	-72	171.7	0	0	0	111.3	T69 D70 T131	L67-T69 PolarHBondContact O-N 3.18Å; L67-D70 WeakPolarHBondContact O-CB 3.46Å; L67-D70 PolarHBondContact O-N 2.79Å; L67-T131 PolarHBondContact O-OG1 2.82Å
68	A	96.1	Very high	95.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60.6	-33.3	177	0	0	0	0	0	111.8	A66 D70 T71 I72 W129 L134 F135	A66-A68 PolarHBondContact O-N 2.84Å; A68-D70 VanDerWaalsContact C-N 3.3Å; A68-D70 PolarHBondContact O-N 2.88Å; A68-T71 WeakPolarHBondContact O-CA 3.46Å; A68-T71 VanDerWaalsContact O-CB 3.31Å; A68-T71 WeakPolarHBondContact O-CB 3.39Å; A68-T71 PolarHBondContact O-N 2.86Å; A68-I72 WeakPolarHBondContact O-CG1 3.34Å; A68-I72 PolarHBondContact O-N 2.92Å; A68-W129 VanDerWaalsContact CB-O 3.3Å; A68-W129 WeakPolarHBondContact CB-O 3.15Å; A68-W129 PolarHBondContact N-O 2.9Å; A68-L134 HydrophobicContact CB-CB 3.88Å; A68-L134 HydrophobicContact CB-CD2 3.71Å; A68-L134 HydrophobicContact CB-CG 4.44Å; A68-F135 HydrophobicContact CB-CE2 4.35Å
69	T	95.6	Very high	95.6	Very high	16 Å²	16	53.8 Å²	53.8	10%	0.098	26%	0.258	C	S	.	.	H	α-helix	trans	-61	-34.3	177	50.9	0	0	0	0	113	L67 T71 I72 T73 F127	L67-T69 PolarHBondContact O-N 3.18Å; T69-T71 VanDerWaalsContact C-N 3.33Å; T69-I72 PolarHBondContact O-N 3.49Å; T69-T73 WeakPolarHBondContact O-CB 3.45Å; T69-T73 PolarHBondContact O-N 2.81Å; T69-T73 PolarHBondContact O-OG1 3.3Å; T69-F127 HydrophobicContact CG2-CB 4.34Å; T69-F127 HydrophobicContact CG2-CD2 3.53Å; T69-F127 HydrophobicContact CG2-CE2 3.92Å; T69-F127 HydrophobicContact CG2-CG 3.98Å; T69-F127 WeakPolarHBondContact CG2-O 3.4Å
70	D	95.8	Very high	95.5	Very high	78 Å²	78	52.4 Å²	52.4	42%	0.417	25%	0.249	S	C	.	.	H	α-helix	trans	-66	-38.9	173.2	-70.4	-25.9	0	0	0	111.5	L67 A68 R74	L67-D70 WeakPolarHBondContact O-CB 3.46Å; L67-D70 PolarHBondContact O-N 2.79Å; A68-D70 VanDerWaalsContact C-N 3.3Å; A68-D70 PolarHBondContact O-N 2.88Å; D70-R74 WeakPolarHBondContact O-CG 3.38Å; D70-R74 PolarHBondContact O-N 3.48Å; D70-R74 VanDerWaalsContact O-N 3.13Å
71	T	95.9	Very high	95.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-46.8	176.5	-62.6	0	0	0	0	110.7	L45 R62 A68 T69 T73 R74 M75 T131 F135	L45-T71 HydrophobicContact CD2-CG2 3.85Å; R62-T71 HydrophobicContact CG-CG2 3.74Å; R62-T71 WeakPolarHBondContact CG-OG1 3.28Å; R62-T71 PolarHBondContact NE-OG1 2.91Å; A68-T71 WeakPolarHBondContact O-CA 3.46Å; A68-T71 VanDerWaalsContact O-CB 3.31Å; A68-T71 WeakPolarHBondContact O-CB 3.39Å; A68-T71 PolarHBondContact O-N 2.86Å; T69-T71 VanDerWaalsContact C-N 3.33Å; T71-T73 PolarHBondContact O-N 3.41Å; T71-R74 PolarHBondContact O-N 2.95Å; T71-M75 HydrophobicContact CG2-CE 4.05Å; T71-M75 WeakPolarHBondContact O-CG 3.32Å; T71-M75 PolarHBondContact O-N 2.78Å; T71-T131 PolarHBondContact OG1-OG1 2.86Å; T71-F135 HydrophobicContact CG2-CD2 4.45Å; T71-F135 HydrophobicContact CG2-CE2 3.76Å; T71-F135 HydrophobicContact CG2-CZ 4.23Å
72	I	96.1	Very high	94.7	Very high	10 Å²	10	57 Å²	57	5%	0.051	27%	0.271	C	S	.	.	H	α-helix	trans	-60.2	-44.9	175.5	-67.1	167.7	0	0	0	111	A68 T69 R74 M75 V76 V111 V114 L134 F135 M143	A68-I72 WeakPolarHBondContact O-CG1 3.34Å; A68-I72 PolarHBondContact O-N 2.92Å; T69-I72 PolarHBondContact O-N 3.49Å; I72-R74 VanDerWaalsContact C-N 3.27Å; I72-R74 PolarHBondContact O-N 3.49Å; I72-M75 WeakPolarHBondContact O-CB 3.5Å; I72-M75 PolarHBondContact O-N 3.01Å; I72-V76 HydrophobicContact CG2-CG2 4.44Å; I72-V76 WeakPolarHBondContact O-CG2 3.29Å; I72-V76 PolarHBondContact O-N 2.9Å; I72-V111 HydrophobicContact CG2-CG1 4.02Å; I72-V114 HydrophobicContact CD1-CG1 4.45Å; I72-V114 HydrophobicContact CG2-CB 3.84Å; I72-V114 HydrophobicContact CG2-CG1 3.81Å; I72-V114 HydrophobicContact CG2-CG2 3.75Å; I72-L134 HydrophobicContact CD1-CD2 4.04Å; I72-F135 HydrophobicContact CG1-CZ 4.14Å; I72-M143 HydrophobicContact CG1-SD 4.36Å
73	T	95.9	Very high	94.1	Very high	51 Å²	51	59 Å²	59	31%	0.313	28%	0.28	S	S	.	.	H	α-helix	trans	-56.5	-43.5	177.5	-60.7	0	0	0	0	111.3	T69 T71 V76 I77 V111	T69-T73 WeakPolarHBondContact O-CB 3.45Å; T69-T73 PolarHBondContact O-N 2.81Å; T69-T73 PolarHBondContact O-OG1 3.3Å; T71-T73 PolarHBondContact O-N 3.41Å; T73-V76 PolarHBondContact O-N 3.2Å; T73-I77 HydrophobicContact CG2-CD1 3.93Å; T73-I77 VanDerWaalsContact O-CG1 3.25Å; T73-I77 WeakPolarHBondContact O-CG1 3.16Å; T73-I77 PolarHBondContact O-N 2.89Å; T73-V111 HydrophobicContact CG2-CG2 4.41Å; T73-V111 WeakPolarHBondContact OG1-CG2 3.48Å
74	R	95.5	Very high	93.5	Very high	136 Å²	136	58.9 Å²	58.9	51%	0.513	28%	0.278	S	S	.	.	H	α-helix	trans	-66.4	-37	176.4	-70.8	175.9	-175.3	-85.1	0.7	112.7	F60 D70 T71 I72 I77 K78	F60-R74 HydrophobicContact CD1-CB 4.25Å; F60-R74 HydrophobicContact CE1-CB 4.24Å; D70-R74 WeakPolarHBondContact O-CG 3.38Å; D70-R74 PolarHBondContact O-N 3.48Å; D70-R74 VanDerWaalsContact O-N 3.13Å; T71-R74 PolarHBondContact O-N 2.95Å; I72-R74 VanDerWaalsContact C-N 3.27Å; I72-R74 PolarHBondContact O-N 3.49Å; R74-I77 PolarHBondContact O-N 2.88Å; R74-K78 PolarHBondContact O-N 2.85Å
75	M	95.6	Very high	92.3	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-59.8	-51.7	174	-69.5	173.2	170.3	0	0	110.6	L34 L45 L47 F60 T71 I72 I77 K78 I79 F135 M143	L34-M75 HydrophobicContact CD1-CE 3.94Å; L34-M75 HydrophobicContact CD2-CE 4.35Å; L45-M75 HydrophobicContact CB-CE 4.15Å; L45-M75 HydrophobicContact CD2-CE 3.53Å; L47-M75 HydrophobicContact CD2-CG 4.4Å; L47-M75 HydrophobicContact CD2-SD 4.47Å; F60-M75 HydrophobicContact CD1-CG 4.35Å; F60-M75 HydrophobicContact CD2-CE 4.15Å; F60-M75 HydrophobicContact CD2-CG 4.15Å; F60-M75 HydrophobicContact CE1-CB 4.4Å; F60-M75 HydrophobicContact CE1-CG 3.93Å; F60-M75 HydrophobicContact CE2-CE 4.4Å; F60-M75 HydrophobicContact CE2-CG 3.71Å; F60-M75 HydrophobicContact CG-CG 4.46Å; F60-M75 HydrophobicContact CZ-CB 4.06Å; F60-M75 HydrophobicContact CZ-CG 3.6Å; T71-M75 HydrophobicContact CG2-CE 4.05Å; T71-M75 WeakPolarHBondContact O-CG 3.32Å; T71-M75 PolarHBondContact O-N 2.78Å; I72-M75 WeakPolarHBondContact O-CB 3.5Å; I72-M75 PolarHBondContact O-N 3.01Å; M75-I77 VanDerWaalsContact C-N 3.34Å; M75-I77 PolarHBondContact O-N 2.85Å; M75-K78 PolarHBondContact O-N 2.96Å; M75-I79 WeakPolarHBondContact O-CG1 3.39Å; M75-I79 PolarHBondContact O-N 2.84Å; M75-F135 HydrophobicContact CE-CE1 4.4Å; M75-F135 HydrophobicContact CE-CZ 4.32Å; M75-M143 HydrophobicContact CE-CE 4.31Å; M75-M143 HydrophobicContact SD-CE 3.63Å
76	V	95.2	Very high	90.7	Very high	7 Å²	7	62 Å²	62	4%	0.042	30%	0.304	C	S	.	.	H	α-helix	trans	-57.9	-45	178	172.6	0	0	0	0	111.5	I72 T73 K78 I79 N80 L109 V114	I72-V76 HydrophobicContact CG2-CG2 4.44Å; I72-V76 WeakPolarHBondContact O-CG2 3.29Å; I72-V76 PolarHBondContact O-N 2.9Å; T73-V76 PolarHBondContact O-N 3.2Å; V76-K78 PolarHBondContact O-N 2.8Å; V76-I79 PolarHBondContact O-N 2.87Å; V76-N80 WeakPolarHBondContact O-CB 3.4Å; V76-N80 PolarHBondContact O-N 3.23Å; V76-N80 PolarHBondContact O-ND2 2.83Å; V76-L109 HydrophobicContact CG1-CB 4.05Å; V76-L109 WeakPolarHBondContact CG1-O 3.2Å; V76-V114 HydrophobicContact CG2-CG2 3.72Å
77	I	94.2	Very high	88.3	Confident	105 Å²	105	72.5 Å²	72.5	54%	0.538	34%	0.34	S	S	.	.	H	α-helix	trans	-59	-46.9	177	-70.3	165.7	0	0	0	111.5	T73 R74 M75 H81	T73-I77 HydrophobicContact CG2-CD1 3.93Å; T73-I77 VanDerWaalsContact O-CG1 3.25Å; T73-I77 WeakPolarHBondContact O-CG1 3.16Å; T73-I77 PolarHBondContact O-N 2.89Å; R74-I77 PolarHBondContact O-N 2.88Å; M75-I77 VanDerWaalsContact C-N 3.34Å; M75-I77 PolarHBondContact O-N 2.85Å; I77-H81 PolarHBondContact O-N 2.67Å
78	K	93.5	Very high	85.6	Confident	88 Å²	88	77.4 Å²	77.4	38%	0.383	36%	0.358	S	S	.	.	H	α-helix	trans	-65.7	-42.3	179.3	-75.4	-160.8	-173.3	179.7	0	111.9	L58 V59 F60 R74 M75 V76 H81 L82	L58-K78 HydrophobicContact CD1-CB 4.28Å; L58-K78 HydrophobicContact CD2-CB 4.29Å; L58-K78 HydrophobicContact CD2-CD 4.11Å; V59-K78 PolarHBondContact O-NZ 2.82Å; F60-K78 HydrophobicContact CD1-CD 4.42Å; F60-K78 HydrophobicContact CE1-CB 4.37Å; F60-K78 HydrophobicContact CE1-CD 3.52Å; F60-K78 HydrophobicContact CE1-CG 3.97Å; F60-K78 HydrophobicContact CZ-CB 4.24Å; F60-K78 HydrophobicContact CZ-CD 3.72Å; F60-K78 HydrophobicContact CZ-CG 4.27Å; R74-K78 PolarHBondContact O-N 2.85Å; M75-K78 PolarHBondContact O-N 2.96Å; V76-K78 PolarHBondContact O-N 2.8Å; K78-H81 WeakPolarHBondContact O-CB 3.44Å; K78-H81 PolarHBondContact O-N 2.88Å; K78-L82 PolarHBondContact O-N 2.82Å
79	I	92.8	Very high	82.6	Confident	0 Å²	0	86.7 Å²	86.7	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-62.6	-48.2	177.8	-69.6	167.4	0	0	0	110.5	L47 F49 L58 M75 V76 H81 L82 K83 L109 I145	L47-I79 HydrophobicContact CD2-CD1 4.01Å; F49-I79 HydrophobicContact CD2-CD1 4.2Å; F49-I79 HydrophobicContact CD2-CG1 4.07Å; F49-I79 HydrophobicContact CD2-CG2 4.48Å; F49-I79 HydrophobicContact CE1-CG2 4.09Å; F49-I79 HydrophobicContact CE2-CD1 4.2Å; F49-I79 HydrophobicContact CE2-CG1 4.12Å; F49-I79 HydrophobicContact CE2-CG2 3.74Å; F49-I79 HydrophobicContact CG-CG1 4.44Å; F49-I79 HydrophobicContact CZ-CG2 3.52Å; L58-I79 HydrophobicContact CD1-CG1 3.87Å; M75-I79 WeakPolarHBondContact O-CG1 3.39Å; M75-I79 PolarHBondContact O-N 2.84Å; V76-I79 PolarHBondContact O-N 2.87Å; I79-H81 PolarHBondContact O-N 2.85Å; I79-L82 PolarHBondContact O-N 2.97Å; I79-K83 HydrophobicContact CG2-CD 4.32Å; I79-K83 HydrophobicContact CG2-CG 4.49Å; I79-K83 PolarHBondContact O-N 2.99Å; I79-L109 HydrophobicContact CG2-CD1 3.63Å; I79-I145 HydrophobicContact CD1-CD1 4.07Å; I79-I145 HydrophobicContact CD1-CG2 3.76Å
80	N	92.3	Very high	79.7	Confident	24 Å²	24	92.9 Å²	92.9	13%	0.128	43%	0.433	C	S	.	.	H	α-helix	trans	-59.6	-35.2	176	-77.7	-23	0	0	0	112.2	V76 K83 K84 L109	V76-N80 WeakPolarHBondContact O-CB 3.4Å; V76-N80 PolarHBondContact O-N 3.23Å; V76-N80 PolarHBondContact O-ND2 2.83Å; N80-K83 PolarHBondContact O-N 2.69Å; N80-K84 WeakPolarHBondContact O-CG 3.36Å; N80-K84 PolarHBondContact O-N 3.02Å; N80-L109 PolarHBondContact ND2-O 3.19Å; N80-L109 WeakPolarHBondContact OD1-CB 3.37Å; N80-L109 PolarHBondContact OD1-N 2.64Å
81	H	89.4	Confident	76.7	Confident	133 Å²	133	100.6 Å²	100.6	62%	0.616	46%	0.456	S	S	*	.	H	α-helix	trans	-66.5	-37.6	175.3	-165	82.8	0	0	0	112.4	I77 K78 I79 K84	I77-H81 PolarHBondContact O-N 2.67Å; K78-H81 WeakPolarHBondContact O-CB 3.44Å; K78-H81 PolarHBondContact O-N 2.88Å; I79-H81 PolarHBondContact O-N 2.85Å; H81-K84 PolarHBondContact O-N 2.78Å
82	L	87.3	Confident	73.5	Confident	60 Å²	60	110.3 Å²	110.3	31%	0.314	50%	0.498	S	S	.	.	H	α-helix	trans	-71.4	-33.2	176.1	-71.4	177.4	0	0	0	113.1	F49 T51 L58 K78 I79 K84	F49-L82 HydrophobicContact CD1-CD1 4.16Å; T51-L82 HydrophobicContact CG2-CB 4.16Å; L58-L82 HydrophobicContact CD1-CD1 4.22Å; L58-L82 HydrophobicContact CD2-CD1 3.74Å; L58-L82 HydrophobicContact CG-CD1 4.25Å; K78-L82 PolarHBondContact O-N 2.82Å; I79-L82 PolarHBondContact O-N 2.97Å; L82-K84 VanDerWaalsContact C-N 3.3Å; L82-K84 PolarHBondContact O-N 2.69Å
83	K	85.2	Confident	70.3	Confident	75 Å²	75	119 Å²	119	33%	0.326	54%	0.536	S	S	.	.	H	α-helix	trans	-71.4	-20.2	175.2	-72.7	-173.8	165.1	-150.3	0	113.8	I79 N80 E106 L109	I79-K83 HydrophobicContact CG2-CD 4.32Å; I79-K83 HydrophobicContact CG2-CG 4.49Å; I79-K83 PolarHBondContact O-N 2.99Å; N80-K83 PolarHBondContact O-N 2.69Å; K83-E106 WeakPolarHBondContact CD-OE2 3.49Å; K83-E106 IonicContact NZ-OE2 3.36Å; K83-L109 HydrophobicContact CD-CD1 4.48Å
84	K	82.1	Confident	67.2	Low	119 Å²	119	125.2 Å²	125.2	52%	0.517	56%	0.561	S	S	.	*	S	Bend	trans	-63.7	134.1	177.8	-77.9	176	-175.3	-174.7	0	110.2	N80 H81 L82 K86	N80-K84 WeakPolarHBondContact O-CG 3.36Å; N80-K84 PolarHBondContact O-N 3.02Å; H81-K84 PolarHBondContact O-N 2.78Å; L82-K84 VanDerWaalsContact C-N 3.3Å; L82-K84 PolarHBondContact O-N 2.69Å; K84-K86 PolarHBondContact O-N 3.11Å
85	P	70.9	Confident	64	Low	112 Å²	112	125.7 Å²	125.7	73%	0.727	58%	0.579	S	S	*	*			trans	-57.6	127.1	173.9	20.8	-29.6	0	0	0	109.6	R87	P85-R87 PolarHBondContact O-N 3.35Å
86	K	62.7	Low	60.9	Low	186 Å²	186	133.3 Å²	133.3	81%	0.809	62%	0.619	S	S	*	*			trans	-57.8	105.8	174.1	-70.1	177.7	-178.1	165	0	107.6	K84 K88	K84-K86 PolarHBondContact O-N 3.11Å; K86-K88 PolarHBondContact O-N 3.04Å
87	R	45.1	Very low	57.7	Low	241 Å²	241	137.6 Å²	137.6	91%	0.909	65%	0.649	S	S	*	*			trans	-56	106.7	172.2	-84.6	-178.4	169.1	169.9	-3.3	107.7	P85 Q89	P85-R87 PolarHBondContact O-N 3.35Å; R87-Q89 PolarHBondContact O-N 3.18Å
88	K	39.4	Very low	54.4	Low	184 Å²	184	138.3 Å²	138.3	80%	0.8	66%	0.662	S	S	*	*			trans	-54.9	114.4	168.7	-74.5	-179.4	178.2	173.9	0	106.5	K86 L90	K86-K88 PolarHBondContact O-N 3.04Å; K88-L90 HydrophobicContact CB-CD1 3.99Å; K88-L90 PolarHBondContact O-N 3.13Å
89	Q	33.5	Very low	51.4	Low	194 Å²	194	142 Å²	142	91%	0.907	69%	0.686	S	S	*	*			trans	-63.7	86.3	162	-78.1	-174	3	0	0	106.6	R87 R91	R87-Q89 PolarHBondContact O-N 3.18Å; Q89-R91 PolarHBondContact O-N 2.87Å
90	L	34.6	Very low	48.4	Very low	147 Å²	147	150.6 Å²	150.6	77%	0.77	73%	0.727	S	S	*	*			trans	-65.1	109.2	168	-109.7	90.8	0	0	0	106.8	K88 K92	K88-L90 HydrophobicContact CB-CD1 3.99Å; K88-L90 PolarHBondContact O-N 3.13Å; L90-K92 PolarHBondContact O-N 2.85Å
91	R	33.3	Very low	45.6	Very low	239 Å²	239	158.4 Å²	158.4	90%	0.902	76%	0.759	S	S	*	*			trans	-49.9	128.9	161.4	-75.5	177.8	165.7	179.6	-4.2	108.1	Q89 K93	Q89-R91 PolarHBondContact O-N 2.87Å; R91-K93 PolarHBondContact O-N 2.82Å; R91-K93 VanDerWaalsContact O-N 3.11Å
92	K	28.8	Very low	42.7	Very low	205 Å²	205	159.6 Å²	159.6	89%	0.891	77%	0.771	S	S	*	*	S	Bend	trans	-39.5	112.3	172.4	-77.1	173.6	171.3	174	0	111.9	L90	L90-K92 PolarHBondContact O-N 2.85Å
93	K	29.1	Very low	40.5	Very low	193 Å²	193	162.3 Å²	162.3	84%	0.839	79%	0.785	S	S	*	*			trans	174.7	139.7	130.3	-98.6	172.1	-179.7	-178.2	0	110.6	R91	R91-K93 PolarHBondContact O-N 2.82Å; R91-K93 VanDerWaalsContact O-N 3.11Å
94	Q	30.6	Very low	38.4	Very low	181 Å²	181	164.7 Å²	164.7	85%	0.846	81%	0.81	S	S	*	*			trans	81.8	105.4	165.3	-71	173.4	-6.4	0	0	118.4	L96	Q94-L96 PolarHBondContact O-N 2.95Å
95	T	28.9	Very low	36.6	Very low	145 Å²	145	164.3 Å²	164.3	89%	0.89	82%	0.818	S	S	*	*			trans	-41.1	119.6	153.5	-14.5	0	0	0	0	111.3
96	L	30.4	Very low	35.9	Very low	162 Å²	162	164.4 Å²	164.4	85%	0.848	81%	0.808	S	S	*	*			trans	-147.2	119.4	152.5	-105.9	149.1	0	0	0	107.9	Q94	Q94-L96 PolarHBondContact O-N 2.95Å
97	S	26.9	Very low	36.1	Very low	97 Å²	97	160.4 Å²	160.4	68%	0.678	80%	0.804	S	S	*	*			trans	-54.4	134.6	166.2	51.4	0	0	0	0	110.7
98	C	26.6	Very low	37.9	Very low	120 Å²	120	155.3 Å²	155.3	81%	0.811	79%	0.79	S	S	*	*				173.3	137.1	116.5	-88.1	0	0	0	0	108.3	E100	C98-E100 PolarHBondContact O-N 3.5Å
99	N	29.8	Very low	40.3	Very low	166 Å²	166	147.4 Å²	147.4	89%	0.888	76%	0.757	S	S	*	*			trans	-58.3	115.8	179.8	-69.5	-30.4	0	0	0	110.9
100	E	28.6	Very low	43.1	Very low	180 Å²	180	141.3 Å²	141.3	84%	0.841	73%	0.733	S	S	*	*			trans	-162.4	59.5	156	-110.4	173.7	-151.9	0	0	109	C98	C98-E100 PolarHBondContact O-N 3.5Å
101	F	34.5	Very low	45.7	Very low	187 Å²	187	137.1 Å²	137.1	82%	0.82	71%	0.713	S	S	*	*			trans	-100.6	71	154.2	-77.5	-82.4	0	0	0	107.1	D103	F101-D103 PolarHBondContact O-N 2.7Å
102	N	29.2	Very low	48.3	Very low	159 Å²	159	134.8 Å²	134.8	85%	0.85	71%	0.709	S	S	*	*			trans	-69.9	84	151.5	-91	-13.6	0	0	0	105.5	C104	N102-C104 VanDerWaalsContact C-N 3.3Å; N102-C104 PolarHBondContact O-N 3.48Å
103	D	40.3	Very low	51.3	Low	116 Å²	116	128.3 Å²	128.3	62%	0.62	69%	0.685	S	S	*	*			trans	-56.6	100.4	167.5	-83.2	-25.5	0	0	0	106.6	F101 V105	F101-D103 PolarHBondContact O-N 2.7Å; D103-V105 HydrophobicContact CB-CG2 3.84Å; D103-V105 PolarHBondContact O-N 3.21Å
104	C	40.3	Very low	54.4	Low	126 Å²	126	120 Å²	120	85%	0.851	65%	0.65	S	S	*	*			trans	-66.6	82.2	158.8	-149.9	0	0	0	0	105.1	N102 E106	N102-C104 VanDerWaalsContact C-N 3.3Å; N102-C104 PolarHBondContact O-N 3.48Å; C104-E106 PolarHBondContact O-N 2.97Å
105	V	44.5	Very low	57.6	Low	111 Å²	111	113.4 Å²	113.4	67%	0.673	62%	0.622	S	S	*	*			trans	-68.6	91.6	173.2	-176.2	0	0	0	0	105.2	D103 S107	D103-V105 HydrophobicContact CB-CG2 3.84Å; D103-V105 PolarHBondContact O-N 3.21Å; V105-S107 PolarHBondContact O-N 2.85Å
106	E	56.1	Low	60.8	Low	113 Å²	113	106.8 Å²	106.8	53%	0.528	58%	0.581	S	S	.	*	P	Polyproline II helix	trans	-50.1	129.4	162.8	-79.6	-171.9	-176.5	0	0	107.5	K83 C104 Q108	K83-E106 WeakPolarHBondContact CD-OE2 3.49Å; K83-E106 IonicContact NZ-OE2 3.36Å; C104-E106 PolarHBondContact O-N 2.97Å; E106-Q108 PolarHBondContact O-N 3.08Å
107	S	66.9	Low	64	Low	103 Å²	103	102.4 Å²	102.4	72%	0.72	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-53.3	124.9	177.8	44.1	0	0	0	0	109.4	V105 L109	V105-S107 PolarHBondContact O-N 2.85Å; S107-L109 PolarHBondContact O-N 3.44Å
108	Q	84.2	Confident	67.3	Low	133 Å²	133	99.2 Å²	99.2	62%	0.621	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-66.6	125.3	176.9	-73.2	-173.7	7.4	0	0	108.9	E106	E106-Q108 PolarHBondContact O-N 3.08Å
109	L	89.2	Confident	70.4	Confident	18 Å²	18	97.6 Å²	97.6	9%	0.094	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-63	141	172.8	-74.2	159.5	0	0	0	109.2	V76 I79 N80 K83 S107 D113 I145	V76-L109 HydrophobicContact CG1-CB 4.05Å; V76-L109 WeakPolarHBondContact CG1-O 3.2Å; I79-L109 HydrophobicContact CG2-CD1 3.63Å; N80-L109 PolarHBondContact ND2-O 3.19Å; N80-L109 WeakPolarHBondContact OD1-CB 3.37Å; N80-L109 PolarHBondContact OD1-N 2.64Å; K83-L109 HydrophobicContact CD-CD1 4.48Å; S107-L109 PolarHBondContact O-N 3.44Å; L109-D113 HydrophobicContact CD2-CB 3.74Å; L109-I145 HydrophobicContact CD1-CG2 4.21Å
110	T	91.7	Very high	73.5	Confident	67 Å²	67	95.4 Å²	95.4	41%	0.411	51%	0.511	S	S	.	.			trans	-117.2	167.7	172.2	71.8	0	0	0	0	109.1	K112 D113	T110-K112 PolarHBondContact O-N 3.48Å; T110-K112 VanDerWaalsContact O-N 3.16Å; T110-K112 PolarHBondContact OG1-N 2.72Å; T110-D113 WeakPolarHBondContact CA-OD2 3.28Å; T110-D113 WeakPolarHBondContact CB-OD2 3.42Å; T110-D113 PolarHBondContact N-OD2 2.86Å; T110-D113 WeakPolarHBondContact O-CB 3.38Å; T110-D113 PolarHBondContact O-N 3.25Å; T110-D113 PolarHBondContact OG1-OD2 3.37Å
111	V	89.3	Confident	76.5	Confident	58 Å²	58	88.7 Å²	88.7	35%	0.352	49%	0.491	S	S	.	.	G	3₁₀ helix	trans	-60.2	-25.1	175.4	179	0	0	0	0	111.8	I72 T73 D113 V114	I72-V111 HydrophobicContact CG2-CG1 4.02Å; T73-V111 HydrophobicContact CG2-CG2 4.41Å; T73-V111 WeakPolarHBondContact OG1-CG2 3.48Å; V111-D113 PolarHBondContact O-N 3.3Å; V111-V114 PolarHBondContact O-N 3.21Å
112	K	88.7	Confident	79.5	Confident	190 Å²	190	84.3 Å²	84.3	83%	0.826	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-69.4	-20.4	176.5	-63.2	179.6	177.1	-178.9	0	113.2	T110 V114	T110-K112 PolarHBondContact O-N 3.48Å; T110-K112 VanDerWaalsContact O-N 3.16Å; T110-K112 PolarHBondContact OG1-N 2.72Å; K112-V114 PolarHBondContact O-N 3.07Å
113	D	91.4	Very high	82.7	Confident	69 Å²	69	82.7 Å²	82.7	37%	0.369	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-85.9	7.1	176.9	-52.5	-60.7	0	0	0	112.1	L109 T110 V111 G146	L109-D113 HydrophobicContact CD2-CB 3.74Å; T110-D113 WeakPolarHBondContact CA-OD2 3.28Å; T110-D113 WeakPolarHBondContact CB-OD2 3.42Å; T110-D113 PolarHBondContact N-OD2 2.86Å; T110-D113 WeakPolarHBondContact O-CB 3.38Å; T110-D113 PolarHBondContact O-N 3.25Å; T110-D113 PolarHBondContact OG1-OD2 3.37Å; V111-D113 PolarHBondContact O-N 3.3Å; D113-G146 PolarHBondContact O-N 2.97Å; D113-G146 VanDerWaalsContact O-N 3.11Å
114	V	95.1	Very high	85.2	Confident	20 Å²	20	78.5 Å²	78.5	12%	0.121	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.7	174.3	-175.6	0	0	0	0	109.3	I72 V76 V111 K112 M143 T144 I145	I72-V114 HydrophobicContact CD1-CG1 4.45Å; I72-V114 HydrophobicContact CG2-CB 3.84Å; I72-V114 HydrophobicContact CG2-CG1 3.81Å; I72-V114 HydrophobicContact CG2-CG2 3.75Å; V76-V114 HydrophobicContact CG2-CG2 3.72Å; V111-V114 PolarHBondContact O-N 3.21Å; K112-V114 PolarHBondContact O-N 3.07Å; V114-M143 HydrophobicContact CG1-CG 3.6Å; V114-M143 HydrophobicContact CG1-SD 3.76Å; V114-T144 CarbonylContact C-O 3.59Å; V114-T144 WeakPolarHBondContact CA-O 3.06Å; V114-I145 HydrophobicContact CG1-CG1 4.2Å; V114-I145 HydrophobicContact CG2-CG1 4.13Å; V114-I145 HydrophobicContact CG2-CG2 4.22Å
115	V	96	Very high	87.7	Confident	41 Å²	41	78.7 Å²	78.7	25%	0.248	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	121.6	-178.6	-177.6	0	0	0	0	109.5	R117 I123 M143 T144	V115-R117 HydrophobicContact CG1-CG 4.38Å; V115-I123 HydrophobicContact CG1-CD1 4.08Å; V115-I123 HydrophobicContact CG1-CG1 3.86Å; V115-I123 HydrophobicContact CG1-CG2 4.06Å; V115-M143 CarbonylContact O-C 3.53Å; V115-M143 WeakPolarHBondContact O-CA 3.48Å; V115-T144 PolarHBondContact N-O 2.9Å; V115-T144 PolarHBondContact O-N 3.49Å
116	V	96.6	Very high	89.8	Confident	6 Å²	6	74 Å²	74	4%	0.036	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	134.1	173.7	177	0	0	0	0	109.3	I123 V124 L134 Y141 S142 M143	V116-I123 WeakPolarHBondContact O-CA 3.31Å; V116-V124 HydrophobicContact CG1-CB 4.43Å; V116-V124 PolarHBondContact O-N 3.05Å; V116-L134 HydrophobicContact CB-CD1 4.44Å; V116-L134 HydrophobicContact CG1-CD1 3.6Å; V116-L134 HydrophobicContact CG2-CD1 4.05Å; V116-L134 HydrophobicContact CG2-CD2 4.17Å; V116-Y141 HydrophobicContact CG1-CD1 3.9Å; V116-S142 CarbonylContact C-O 3.59Å; V116-S142 WeakPolarHBondContact CA-O 3.38Å; V116-M143 HydrophobicContact CG2-CG 4.49Å
117	R	97.7	Very high	91.4	Very high	71 Å²	71	75.5 Å²	75.5	27%	0.268	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.1	173.7	-64.5	179.4	-176.1	80.4	-2.9	111.7	V115 G121 N122 I123 Y141 S142 T144	V115-R117 HydrophobicContact CG1-CG 4.38Å; R117-G121 WeakPolarHBondContact CD-O 3.47Å; R117-N122 CarbonylContact C-O 3.56Å; R117-N122 WeakPolarHBondContact CA-O 3.44Å; R117-I123 HydrophobicContact CG-CG1 4.36Å; R117-Y141 CarbonylContact O-C 3.54Å; R117-Y141 VanDerWaalsContact O-CA 3.28Å; R117-Y141 WeakPolarHBondContact O-CA 3.3Å; R117-Y141 WeakPolarHBondContact O-CB 3.4Å; R117-Y141 WeakPolarHBondContact O-CD1 3.32Å; R117-S142 PolarHBondContact N-O 2.99Å; R117-S142 PolarHBondContact O-N 3.33Å; R117-T144 PolarHBondContact NH1-OG1 3.36Å
118	D	95.6	Very high	92.6	Very high	30 Å²	30	75 Å²	75	16%	0.16	41%	0.41	C	S	.	.			trans	-69.7	-177.5	172.6	70.2	14.8	0	0	0	112.2	V120 G121 N122 V124 Y141	D118-V120 PolarHBondContact O-N 3.28Å; D118-V120 WeakPolarHBondContact OD1-CA 3.49Å; D118-V120 PolarHBondContact OD1-N 3.15Å; D118-G121 PolarHBondContact O-N 2.99Å; D118-G121 PolarHBondContact OD1-N 3.48Å; D118-N122 PolarHBondContact N-O 3.4Å; D118-N122 PolarHBondContact OD1-N 3.05Å; D118-N122 WeakPolarHBondContact OD2-CB 3.48Å; D118-N122 PolarHBondContact OD2-ND2 2.93Å; D118-V124 HydrophobicContact CB-CG2 3.82Å; D118-Y141 HydrophobicContact CB-CD2 4.39Å; D118-Y141 HydrophobicContact CB-CE1 4.11Å; D118-Y141 HydrophobicContact CB-CE2 3.89Å
119	S	92.9	Very high	93.2	Very high	86 Å²	86	71.5 Å²	71.5	60%	0.601	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-12.8	179.5	55	0	0	0	0	114.8
120	V	93.9	Very high	93.6	Very high	119 Å²	119	71.6 Å²	71.6	72%	0.721	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-10.7	178	-169	0	0	0	0	111.2	D118	D118-V120 PolarHBondContact O-N 3.28Å; D118-V120 WeakPolarHBondContact OD1-CA 3.49Å; D118-V120 PolarHBondContact OD1-N 3.15Å
121	G	93.4	Very high	93.8	Very high	40 Å²	40	68.4 Å²	68.4	41%	0.412	37%	0.374	S	S	.	.	S	Bend	trans	99.7	8	177.7	0	0	0	0	0	114.8	R117 D118	R117-G121 WeakPolarHBondContact CD-O 3.47Å; D118-G121 PolarHBondContact O-N 2.99Å; D118-G121 PolarHBondContact OD1-N 3.48Å
122	N	96.2	Very high	94.1	Very high	94 Å²	94	67.5 Å²	67.5	50%	0.503	37%	0.366	S	S	.	.			trans	-77	142.4	176.6	-52.8	-59.9	0	0	0	110.6	R117 D118 V124	R117-N122 CarbonylContact C-O 3.56Å; R117-N122 WeakPolarHBondContact CA-O 3.44Å; D118-N122 PolarHBondContact N-O 3.4Å; D118-N122 PolarHBondContact OD1-N 3.05Å; D118-N122 WeakPolarHBondContact OD2-CB 3.48Å; D118-N122 PolarHBondContact OD2-ND2 2.93Å; N122-V124 PolarHBondContact O-N 3.39Å
123	I	95.8	Very high	94.5	Very high	125 Å²	125	62.8 Å²	62.8	64%	0.641	35%	0.347	S	S	*	.	B	Isolated β-bridge	trans	-68.8	130.9	174.4	-61.4	176.2	0	0	0	109.3	V115 V116 R117	V115-I123 HydrophobicContact CG1-CD1 4.08Å; V115-I123 HydrophobicContact CG1-CG1 3.86Å; V115-I123 HydrophobicContact CG1-CG2 4.06Å; V116-I123 WeakPolarHBondContact O-CA 3.31Å; R117-I123 HydrophobicContact CG-CG1 4.36Å
124	V	93.7	Very high	94.7	Very high	28 Å²	28	59.5 Å²	59.5	17%	0.17	33%	0.329	C	S	.	.			trans	-112.4	129.6	-179.5	-178	0	0	0	0	110.3	V116 D118 N122 S126 W129 Y141	V116-V124 HydrophobicContact CG1-CB 4.43Å; V116-V124 PolarHBondContact O-N 3.05Å; D118-V124 HydrophobicContact CB-CG2 3.82Å; N122-V124 PolarHBondContact O-N 3.39Å; V124-S126 PolarHBondContact O-N 3.21Å; V124-W129 HydrophobicContact CG1-CH2 3.51Å; V124-W129 HydrophobicContact CG1-CZ2 3.64Å; V124-W129 HydrophobicContact CG1-CZ3 4.26Å; V124-Y141 HydrophobicContact CB-CE1 4.38Å; V124-Y141 HydrophobicContact CG1-CE1 4.36Å; V124-Y141 HydrophobicContact CG2-CE1 3.89Å
125	D	92.4	Very high	94.8	Very high	130 Å²	130	58.6 Å²	58.6	70%	0.695	32%	0.324	S	S	*	.			trans	-76.4	103.5	167.4	-175.7	7.7	0	0	0	109.8	F127	D125-F127 WeakPolarHBondContact OD1-CB 3.35Å; D125-F127 PolarHBondContact OD1-N 3.39Å; D125-F127 VanDerWaalsContact OD1-N 3.11Å
126	S	89.1	Confident	94.7	Very high	12 Å²	12	57.6 Å²	57.6	8%	0.084	32%	0.316	C	S	.	.			trans	-107.4	15.1	-179.5	52.7	0	0	0	0	112.6	V124 S128 W129	V124-S126 PolarHBondContact O-N 3.21Å; S126-S128 VanDerWaalsContact C-N 3.3Å; S126-S128 PolarHBondContact O-N 3.34Å; S126-W129 WeakPolarHBondContact O-CB 3.14Å; S126-W129 PolarHBondContact O-N 3.26Å; S126-W129 VanDerWaalsContact O-N 3.11Å
127	F	88.6	Confident	94.5	Very high	146 Å²	146	62.7 Å²	62.7	64%	0.64	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-36.4	-172.5	-173.5	-90.1	0	0	0	113.4	T69 D125	T69-F127 HydrophobicContact CG2-CB 4.34Å; T69-F127 HydrophobicContact CG2-CD2 3.53Å; T69-F127 HydrophobicContact CG2-CE2 3.92Å; T69-F127 HydrophobicContact CG2-CG 3.98Å; T69-F127 WeakPolarHBondContact CG2-O 3.4Å; D125-F127 WeakPolarHBondContact OD1-CB 3.35Å; D125-F127 PolarHBondContact OD1-N 3.39Å; D125-F127 VanDerWaalsContact OD1-N 3.11Å
128	S	93	Very high	94	Very high	91 Å²	91	60 Å²	60	64%	0.636	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-7.5	179.1	57.3	0	0	0	0	113.8	S126	S126-S128 VanDerWaalsContact C-N 3.3Å; S126-S128 PolarHBondContact O-N 3.34Å
129	W	97	Very high	93.6	Very high	61 Å²	61	64.9 Å²	64.9	23%	0.231	35%	0.351	C	S	.	.			trans	-75.9	146.6	-174.1	-64.6	9.1	0	0	0	110.8	A68 V124 S126 E133 L134 S138 Y141	A68-W129 VanDerWaalsContact CB-O 3.3Å; A68-W129 WeakPolarHBondContact CB-O 3.15Å; A68-W129 PolarHBondContact N-O 2.9Å; V124-W129 HydrophobicContact CG1-CH2 3.51Å; V124-W129 HydrophobicContact CG1-CZ2 3.64Å; V124-W129 HydrophobicContact CG1-CZ3 4.26Å; S126-W129 WeakPolarHBondContact O-CB 3.14Å; S126-W129 PolarHBondContact O-N 3.26Å; S126-W129 VanDerWaalsContact O-N 3.11Å; W129-E133 HydrophobicContact CB-CB 4.16Å; W129-L134 HydrophobicContact CE3-CB 4.08Å; W129-L134 HydrophobicContact CE3-CD1 4.06Å; W129-L134 HydrophobicContact CZ3-CD1 4.21Å; W129-S138 WeakPolarHBondContact CZ3-OG 3.44Å; W129-Y141 AromaticContact CH2-CE1 3.95Å; W129-Y141 HydrophobicContact CH2-CE1 3.95Å; W129-Y141 AromaticContact CZ3-CE1 3.95Å; W129-Y141 HydrophobicContact CZ3-CE1 3.95Å
130	S	97.1	Very high	93.5	Very high	20 Å²	20	63.1 Å²	63.1	14%	0.14	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-70.1	160.3	166	64.9	0	0	0	0	111.4	A66 E132 E133 L134	A66-S130 CarbonylContact O-C 3.54Å; A66-S130 WeakPolarHBondContact O-CA 3.26Å; S130-E132 PolarHBondContact O-N 3.43Å; S130-E133 WeakPolarHBondContact CB-OE2 3.46Å; S130-E133 PolarHBondContact N-OE2 3.37Å; S130-E133 PolarHBondContact O-N 2.96Å; S130-E133 WeakPolarHBondContact OG-CB 3.48Å; S130-E133 VanDerWaalsContact OG-CD 3.24Å; S130-E133 VanDerWaalsContact OG-CG 3.24Å; S130-E133 WeakPolarHBondContact OG-CG 3.36Å; S130-E133 PolarHBondContact OG-N 3.47Å; S130-E133 PolarHBondContact OG-OE2 3.5Å; S130-L134 PolarHBondContact O-N 2.87Å; S130-L134 VanDerWaalsContact O-N 3.09Å
131	T	96.3	Very high	93.6	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-56.9	-38.8	175.4	-65.9	0	0	0	0	110.5	L43 L45 R62 R64 A66 L67 T71 F135	L43-T131 HydrophobicContact CD1-CG2 4.09Å; L45-T131 HydrophobicContact CD1-CG2 4.31Å; R62-T131 HydrophobicContact CB-CG2 3.72Å; R62-T131 HydrophobicContact CG-CG2 4.38Å; R64-T131 PolarHBondContact O-N 2.94Å; A66-T131 WeakPolarHBondContact O-CB 3.31Å; A66-T131 PolarHBondContact O-N 2.86Å; A66-T131 PolarHBondContact O-OG1 3.09Å; L67-T131 PolarHBondContact O-OG1 2.82Å; T71-T131 PolarHBondContact OG1-OG1 2.86Å; T131-F135 HydrophobicContact CG2-CD2 3.96Å; T131-F135 WeakPolarHBondContact O-CB 3.21Å; T131-F135 WeakPolarHBondContact O-CD2 3.16Å; T131-F135 PolarHBondContact O-N 2.87Å
132	E	96	Very high	93.8	Very high	38 Å²	38	58.7 Å²	58.7	18%	0.178	31%	0.308	C	S	.	.	H	α-helix	trans	-68.7	-44	177.6	-174.2	169.5	-125.6	0	0	113.2	L43 R64 S130 L134 F136 H137	L43-E132 HydrophobicContact CD1-CB 4.15Å; R64-E132 HydrophobicContact CB-CB 4Å; R64-E132 HydrophobicContact CB-CG 4.48Å; R64-E132 WeakPolarHBondContact CD-OE1 3.41Å; R64-E132 IonicContact CZ-OE1 2.7Å; R64-E132 IonicContact NH1-OE1 3.75Å; R64-E132 PolarHBondContact NH1-OE1 2.92Å; R64-E132 WeakPolarHBondContact O-CB 3.37Å; R64-E132 PolarHBondContact O-N 2.88Å; S130-E132 PolarHBondContact O-N 3.43Å; E132-L134 PolarHBondContact O-N 2.77Å; E132-F136 HydrophobicContact CG-CB 4.12Å; E132-F136 HydrophobicContact CG-CD1 4.43Å; E132-F136 WeakPolarHBondContact O-CA 3.38Å; E132-F136 VanDerWaalsContact O-CB 3.24Å; E132-F136 WeakPolarHBondContact O-CB 3.49Å; E132-F136 PolarHBondContact O-N 3.04Å; E132-H137 PolarHBondContact O-N 3.31Å; E132-H137 VanDerWaalsContact O-N 3.09Å
133	E	96.7	Very high	93.8	Very high	92 Å²	92	54.2 Å²	54.2	43%	0.43	28%	0.284	S	S	.	.	I	π-helix	trans	-58.4	-49.8	175.7	-74.6	162.2	142.1	0	0	111.6	W129 S130 S138	W129-E133 HydrophobicContact CB-CB 4.16Å; S130-E133 WeakPolarHBondContact CB-OE2 3.46Å; S130-E133 PolarHBondContact N-OE2 3.37Å; S130-E133 PolarHBondContact O-N 2.96Å; S130-E133 WeakPolarHBondContact OG-CB 3.48Å; S130-E133 VanDerWaalsContact OG-CD 3.24Å; S130-E133 VanDerWaalsContact OG-CG 3.24Å; S130-E133 WeakPolarHBondContact OG-CG 3.36Å; S130-E133 PolarHBondContact OG-N 3.47Å; S130-E133 PolarHBondContact OG-OE2 3.5Å; E133-S138 PolarHBondContact O-N 3.16Å; E133-S138 PolarHBondContact O-OG 3.26Å
134	L	96.2	Very high	93.8	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.259	C	S	.	.	I	π-helix	trans	-71.1	-46.9	-177.4	178.9	58.4	0	0	0	113.1	A68 I72 V116 W129 S130 E132 S138	A68-L134 HydrophobicContact CB-CB 3.88Å; A68-L134 HydrophobicContact CB-CD2 3.71Å; A68-L134 HydrophobicContact CB-CG 4.44Å; I72-L134 HydrophobicContact CD1-CD2 4.04Å; V116-L134 HydrophobicContact CB-CD1 4.44Å; V116-L134 HydrophobicContact CG1-CD1 3.6Å; V116-L134 HydrophobicContact CG2-CD1 4.05Å; V116-L134 HydrophobicContact CG2-CD2 4.17Å; W129-L134 HydrophobicContact CE3-CB 4.08Å; W129-L134 HydrophobicContact CE3-CD1 4.06Å; W129-L134 HydrophobicContact CZ3-CD1 4.21Å; S130-L134 PolarHBondContact O-N 2.87Å; S130-L134 VanDerWaalsContact O-N 3.09Å; E132-L134 PolarHBondContact O-N 2.77Å; L134-S138 VanDerWaalsContact O-CB 3.23Å; L134-S138 WeakPolarHBondContact O-CB 3.36Å; L134-S138 PolarHBondContact O-OG 3.11Å
135	F	96	Very high	93.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	I	π-helix	trans	-97	-24.1	-167.2	-66.3	-70.7	0	0	0	113.4	L34 V36 L45 A68 T71 I72 M75 T131 M143 I152	L34-F135 HydrophobicContact CD2-CD1 3.52Å; L34-F135 HydrophobicContact CD2-CE1 3.48Å; L34-F135 VanDerWaalsContact CD2-CE1 3.48Å; V36-F135 HydrophobicContact CG1-CB 4.04Å; V36-F135 WeakPolarHBondContact CG1-O 3.44Å; V36-F135 HydrophobicContact CG2-CB 3.92Å; V36-F135 VanDerWaalsContact CG2-O 3.31Å; V36-F135 WeakPolarHBondContact CG2-O 3.37Å; L45-F135 HydrophobicContact CD2-CB 4.02Å; L45-F135 HydrophobicContact CD2-CD1 3.63Å; L45-F135 HydrophobicContact CD2-CD2 3.64Å; L45-F135 HydrophobicContact CD2-CE1 3.91Å; L45-F135 HydrophobicContact CD2-CE2 3.9Å; L45-F135 HydrophobicContact CD2-CG 3.47Å; L45-F135 VanDerWaalsContact CD2-CG 3.47Å; L45-F135 HydrophobicContact CD2-CZ 4.03Å; A68-F135 HydrophobicContact CB-CE2 4.35Å; T71-F135 HydrophobicContact CG2-CD2 4.45Å; T71-F135 HydrophobicContact CG2-CE2 3.76Å; T71-F135 HydrophobicContact CG2-CZ 4.23Å; I72-F135 HydrophobicContact CG1-CZ 4.14Å; M75-F135 HydrophobicContact CE-CE1 4.4Å; M75-F135 HydrophobicContact CE-CZ 4.32Å; T131-F135 HydrophobicContact CG2-CD2 3.96Å; T131-F135 WeakPolarHBondContact O-CB 3.21Å; T131-F135 WeakPolarHBondContact O-CD2 3.16Å; T131-F135 PolarHBondContact O-N 2.87Å; F135-M143 HydrophobicContact CE1-CE 4.1Å; F135-M143 HydrophobicContact CE1-SD 4.02Å; F135-M143 HydrophobicContact CZ-SD 4.25Å; F135-I152 HydrophobicContact CD1-CD1 4.12Å; F135-I152 HydrophobicContact CD1-CG2 4.4Å; F135-I152 HydrophobicContact CE1-CD1 4.36Å; F135-I152 WeakPolarHBondContact O-CG2 3.39Å
136	F	93.7	Very high	93.6	Very high	20 Å²	20	43.3 Å²	43.3	9%	0.088	23%	0.234	C	C	.	.	I	π-helix	trans	-105.7	-48.7	-174.4	-167.3	-104.9	0	0	0	112.6	V36 E38 L43 E132 S154 E155	V36-F136 HydrophobicContact CG1-CD2 4.26Å; E38-F136 HydrophobicContact CB-CE2 4.36Å; L43-F136 HydrophobicContact CD1-CB 3.98Å; L43-F136 HydrophobicContact CD2-CD2 4.07Å; L43-F136 HydrophobicContact CD2-CG 4.39Å; E132-F136 HydrophobicContact CG-CB 4.12Å; E132-F136 HydrophobicContact CG-CD1 4.43Å; E132-F136 WeakPolarHBondContact O-CA 3.38Å; E132-F136 VanDerWaalsContact O-CB 3.24Å; E132-F136 WeakPolarHBondContact O-CB 3.49Å; E132-F136 PolarHBondContact O-N 3.04Å; F136-S154 PolarHBondContact O-OG 3.12Å; F136-E155 HydrophobicContact CE2-CG 3.95Å; F136-E155 HydrophobicContact CZ-CG 3.82Å
137	H	92.6	Very high	93.5	Very high	113 Å²	113	52.1 Å²	52.1	52%	0.523	27%	0.274	S	S	.	.	I	π-helix	trans	-83.1	-21.2	-176.3	-62.6	140	0	0	0	114.3	E132 K139	E132-H137 PolarHBondContact O-N 3.31Å; E132-H137 VanDerWaalsContact O-N 3.09Å; H137-K139 VanDerWaalsContact C-N 3.31Å; H137-K139 PolarHBondContact O-N 3.37Å
138	S	88.2	Confident	93.7	Very high	14 Å²	14	49 Å²	49	10%	0.098	26%	0.262	C	S	.	.			trans	-82.8	68.9	-175.5	-59.7	0	0	0	0	112.7	W129 E133 L134 G140 Y141	W129-S138 WeakPolarHBondContact CZ3-OG 3.44Å; E133-S138 PolarHBondContact O-N 3.16Å; E133-S138 PolarHBondContact O-OG 3.26Å; L134-S138 VanDerWaalsContact O-CB 3.23Å; L134-S138 WeakPolarHBondContact O-CB 3.36Å; L134-S138 PolarHBondContact O-OG 3.11Å; S138-G140 PolarHBondContact O-N 3.39Å; S138-Y141 WeakPolarHBondContact O-CB 3.48Å; S138-Y141 WeakPolarHBondContact O-CD2 3.42Å; S138-Y141 PolarHBondContact O-N 3.09Å
139	K	87.5	Confident	93.8	Very high	133 Å²	133	48 Å²	48	58%	0.578	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	130.7	-178.4	-67.6	-172.7	177.4	-173.3	0	111.9	H137 Y141 E155	H137-K139 VanDerWaalsContact C-N 3.31Å; H137-K139 PolarHBondContact O-N 3.37Å; K139-Y141 VanDerWaalsContact C-N 3.29Å; K139-Y141 PolarHBondContact O-N 2.98Å; K139-E155 WeakPolarHBondContact CE-OE2 3.37Å; K139-E155 IonicContact NZ-OE2 3.13Å; K139-E155 PolarHBondContact NZ-OE2 2.81Å
140	G	90	Very high	93.8	Very high	50 Å²	50	45.3 Å²	45.3	52%	0.515	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	-0.1	178.1	0	0	0	0	0	115	S138	S138-G140 PolarHBondContact O-N 3.39Å
141	Y	96.6	Very high	93.7	Very high	44 Å²	44	51 Å²	51	17%	0.173	26%	0.26	C	S	.	.			trans	-69.6	160.2	177.5	-81	-134.7	0	0	0	111.2	V116 R117 D118 V124 W129 S138 K139 I152	V116-Y141 HydrophobicContact CG1-CD1 3.9Å; R117-Y141 CarbonylContact O-C 3.54Å; R117-Y141 VanDerWaalsContact O-CA 3.28Å; R117-Y141 WeakPolarHBondContact O-CA 3.3Å; R117-Y141 WeakPolarHBondContact O-CB 3.4Å; R117-Y141 WeakPolarHBondContact O-CD1 3.32Å; D118-Y141 HydrophobicContact CB-CD2 4.39Å; D118-Y141 HydrophobicContact CB-CE1 4.11Å; D118-Y141 HydrophobicContact CB-CE2 3.89Å; V124-Y141 HydrophobicContact CB-CE1 4.38Å; V124-Y141 HydrophobicContact CG1-CE1 4.36Å; V124-Y141 HydrophobicContact CG2-CE1 3.89Å; W129-Y141 AromaticContact CH2-CE1 3.95Å; W129-Y141 HydrophobicContact CH2-CE1 3.95Å; W129-Y141 AromaticContact CZ3-CE1 3.95Å; W129-Y141 HydrophobicContact CZ3-CE1 3.95Å; S138-Y141 WeakPolarHBondContact O-CB 3.48Å; S138-Y141 WeakPolarHBondContact O-CD2 3.42Å; S138-Y141 PolarHBondContact O-N 3.09Å; K139-Y141 VanDerWaalsContact C-N 3.29Å; K139-Y141 PolarHBondContact O-N 2.98Å; Y141-I152 PolarHBondContact O-N 3.4Å
142	S	97	Very high	93.7	Very high	21 Å²	21	51.4 Å²	51.4	15%	0.147	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	153.8	173	62.4	0	0	0	0	111.6	V116 R117 Y150	V116-S142 CarbonylContact C-O 3.59Å; V116-S142 WeakPolarHBondContact CA-O 3.38Å; R117-S142 PolarHBondContact N-O 2.99Å; R117-S142 PolarHBondContact O-N 3.33Å; S142-Y150 CarbonylContact C-O 3.53Å; S142-Y150 WeakPolarHBondContact CA-O 3.23Å; S142-Y150 WeakPolarHBondContact CB-O 3.23Å
143	M	95.7	Very high	93.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.9	177.2	-178.3	170.8	69.6	0	0	108.6	L34 I72 M75 V114 V115 V116 F135 I145 Y150 I152	L34-M143 HydrophobicContact CD2-CE 3.72Å; I72-M143 HydrophobicContact CG1-SD 4.36Å; M75-M143 HydrophobicContact CE-CE 4.31Å; M75-M143 HydrophobicContact SD-CE 3.63Å; V114-M143 HydrophobicContact CG1-CG 3.6Å; V114-M143 HydrophobicContact CG1-SD 3.76Å; V115-M143 CarbonylContact O-C 3.53Å; V115-M143 WeakPolarHBondContact O-CA 3.48Å; V116-M143 HydrophobicContact CG2-CG 4.49Å; F135-M143 HydrophobicContact CE1-CE 4.1Å; F135-M143 HydrophobicContact CE1-SD 4.02Å; F135-M143 HydrophobicContact CZ-SD 4.25Å; M143-I145 HydrophobicContact CE-CD1 3.64Å; M143-I145 HydrophobicContact CE-CG1 4.17Å; M143-I145 HydrophobicContact CG-CG1 4.16Å; M143-Y150 PolarHBondContact N-O 3.07Å; M143-Y150 PolarHBondContact O-N 3.17Å; M143-I152 HydrophobicContact CB-CD1 4.32Å
144	T	96.4	Very high	93.3	Very high	17 Å²	17	47.7 Å²	47.7	10%	0.104	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	128.6	170.3	-58.6	0	0	0	0	108.6	V114 V115 R117 G146 Q148 V149	V114-T144 CarbonylContact C-O 3.59Å; V114-T144 WeakPolarHBondContact CA-O 3.06Å; V115-T144 PolarHBondContact N-O 2.9Å; V115-T144 PolarHBondContact O-N 3.49Å; R117-T144 PolarHBondContact NH1-OG1 3.36Å; T144-G146 VanDerWaalsContact CG2-O 3.28Å; T144-G146 WeakPolarHBondContact CG2-O 3.45Å; T144-Q148 CarbonylContact C-O 3.59Å; T144-Q148 VanDerWaalsContact CA-O 3.28Å; T144-Q148 WeakPolarHBondContact CA-O 3.4Å; T144-V149 HydrophobicContact CG2-CG2 4.4Å
145	I	93.3	Very high	93	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.026	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	106.6	171.4	-57.8	167.9	0	0	0	107.7	L47 I79 L109 V114 M143 E147 Q148 Y150	L47-I145 HydrophobicContact CD1-CD1 4.44Å; L47-I145 HydrophobicContact CD2-CD1 3.92Å; I79-I145 HydrophobicContact CD1-CD1 4.07Å; I79-I145 HydrophobicContact CD1-CG2 3.76Å; L109-I145 HydrophobicContact CD1-CG2 4.21Å; V114-I145 HydrophobicContact CG1-CG1 4.2Å; V114-I145 HydrophobicContact CG2-CG1 4.13Å; V114-I145 HydrophobicContact CG2-CG2 4.22Å; M143-I145 HydrophobicContact CE-CD1 3.64Å; M143-I145 HydrophobicContact CE-CG1 4.17Å; M143-I145 HydrophobicContact CG-CG1 4.16Å; I145-E147 PolarHBondContact O-N 3.1Å; I145-Q148 PolarHBondContact N-O 3.02Å; I145-Q148 PolarHBondContact O-N 3.39Å; I145-Y150 HydrophobicContact CB-CE2 4.47Å; I145-Y150 HydrophobicContact CD1-CD2 4.21Å; I145-Y150 HydrophobicContact CD1-CE2 4.11Å; I145-Y150 HydrophobicContact CG1-CD2 4.49Å
146	G	88.1	Confident	92.8	Very high	32 Å²	32	52.8 Å²	52.8	33%	0.33	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	-116.6	-170.6	0	0	0	0	0	110.8	D113 T144	D113-G146 PolarHBondContact O-N 2.97Å; D113-G146 VanDerWaalsContact O-N 3.11Å; T144-G146 VanDerWaalsContact CG2-O 3.28Å; T144-G146 WeakPolarHBondContact CG2-O 3.45Å
147	E	88.3	Confident	92.8	Very high	197 Å²	197	51.9 Å²	51.9	92%	0.921	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-13.8	-179.7	-62.3	179.8	177.7	0	0	113.5	I145	I145-E147 PolarHBondContact O-N 3.1Å
148	Q	92	Very high	92.9	Very high	82 Å²	82	46.9 Å²	46.9	38%	0.383	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	134.6	-173.9	-171.6	61	43.9	0	0	111.2	T144 I145 Y150	T144-Q148 CarbonylContact C-O 3.59Å; T144-Q148 VanDerWaalsContact CA-O 3.28Å; T144-Q148 WeakPolarHBondContact CA-O 3.4Å; I145-Q148 PolarHBondContact N-O 3.02Å; I145-Q148 PolarHBondContact O-N 3.39Å; Q148-Y150 HydrophobicContact CB-CE2 3.81Å; Q148-Y150 HydrophobicContact CG-CD2 4.13Å; Q148-Y150 HydrophobicContact CG-CE1 4Å; Q148-Y150 HydrophobicContact CG-CE2 3.41Å; Q148-Y150 VanDerWaalsContact CG-CE2 3.41Å; Q148-Y150 WeakPolarHBondContact CG-OH 3.33Å
149	V	95.7	Very high	93.2	Very high	69 Å²	69	46.6 Å²	46.6	42%	0.418	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	130.8	175.4	-174.1	0	0	0	0	109.7	T144	T144-V149 HydrophobicContact CG2-CG2 4.4Å
150	Y	96.5	Very high	93.5	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.6	177.2	-63.7	-82.4	0	0	0	110.5	Q31 S32 L47 P48 F49 S142 M143 I145 Q148	Q31-Y150 VanDerWaalsContact O-CE1 3.28Å; Q31-Y150 WeakPolarHBondContact O-CE1 3.28Å; S32-Y150 CarbonylContact O-C 3.56Å; S32-Y150 VanDerWaalsContact O-CA 3.3Å; S32-Y150 WeakPolarHBondContact O-CA 3.1Å; L47-Y150 HydrophobicContact CD1-CD1 3.6Å; L47-Y150 HydrophobicContact CD1-CD2 3.87Å; L47-Y150 HydrophobicContact CD1-CE1 3.48Å; L47-Y150 VanDerWaalsContact CD1-CE1 3.48Å; L47-Y150 HydrophobicContact CD1-CE2 3.76Å; L47-Y150 HydrophobicContact CD1-CG 3.77Å; L47-Y150 HydrophobicContact CG-CE1 4.43Å; P48-Y150 WeakPolarHBondContact O-CE1 3.12Å; P48-Y150 PolarHBondContact O-OH 3.38Å; F49-Y150 WeakPolarHBondContact CD2-OH 3.24Å; S142-Y150 CarbonylContact C-O 3.53Å; S142-Y150 WeakPolarHBondContact CA-O 3.23Å; S142-Y150 WeakPolarHBondContact CB-O 3.23Å; M143-Y150 PolarHBondContact N-O 3.07Å; M143-Y150 PolarHBondContact O-N 3.17Å; I145-Y150 HydrophobicContact CB-CE2 4.47Å; I145-Y150 HydrophobicContact CD1-CD2 4.21Å; I145-Y150 HydrophobicContact CD1-CE2 4.11Å; I145-Y150 HydrophobicContact CG1-CD2 4.49Å; Q148-Y150 HydrophobicContact CB-CE2 3.81Å; Q148-Y150 HydrophobicContact CG-CD2 4.13Å; Q148-Y150 HydrophobicContact CG-CE1 4Å; Q148-Y150 HydrophobicContact CG-CE2 3.41Å; Q148-Y150 VanDerWaalsContact CG-CE2 3.41Å; Q148-Y150 WeakPolarHBondContact CG-OH 3.33Å
151	R	95.5	Very high	93.8	Very high	140 Å²	140	45.7 Å²	45.7	53%	0.528	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	133.2	165.4	-55.5	-169.3	-45.7	116.2	7.6	108.9	S32 V33 L34	S32-R151 PolarHBondContact O-N 2.75Å; V33-R151 WeakPolarHBondContact CA-O 3.28Å; L34-R151 PolarHBondContact N-O 3.21Å
152	I	95.5	Very high	93.8	Very high	8 Å²	8	44.8 Å²	44.8	4%	0.041	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.8	177.9	-54.2	-179.3	0	0	0	108	L34 V36 F135 Y141 M143	L34-I152 HydrophobicContact CD2-CG1 4.14Å; V36-I152 HydrophobicContact CG2-CG2 3.87Å; F135-I152 HydrophobicContact CD1-CD1 4.12Å; F135-I152 HydrophobicContact CD1-CG2 4.4Å; F135-I152 HydrophobicContact CE1-CD1 4.36Å; F135-I152 WeakPolarHBondContact O-CG2 3.39Å; Y141-I152 PolarHBondContact O-N 3.4Å; M143-I152 HydrophobicContact CB-CD1 4.32Å
153	V	93.3	Very high	93.8	Very high	33 Å²	33	46.8 Å²	46.8	20%	0.2	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	118.3	-179.3	178.2	0	0	0	0	109.4	V33 L34 V36 M156	V33-V153 HydrophobicContact CG1-CB 3.88Å; V33-V153 HydrophobicContact CG1-CG2 3.62Å; L34-V153 PolarHBondContact O-N 2.87Å; V36-V153 PolarHBondContact N-O 2.91Å; V153-M156 HydrophobicContact CG1-CB 4.19Å; V153-M156 HydrophobicContact CG1-SD 4.43Å
154	S	92.3	Very high	93.9	Very high	20 Å²	20	47.4 Å²	47.4	14%	0.14	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	167.8	172	56.9	0	0	0	0	111	V36 F136 M156	V36-S154 WeakPolarHBondContact O-CA 3.44Å; F136-S154 PolarHBondContact O-OG 3.12Å; S154-M156 PolarHBondContact O-N 3.03Å
155	E	88.6	Confident	93.8	Very high	87 Å²	87	49.1 Å²	49.1	41%	0.407	25%	0.246	S	C	.	.	S	Bend	trans	59.9	16.4	171.5	-55.6	-175.3	115	0	0	116.4	F136 K139 N182	F136-E155 HydrophobicContact CE2-CG 3.95Å; F136-E155 HydrophobicContact CZ-CG 3.82Å; K139-E155 WeakPolarHBondContact CE-OE2 3.37Å; K139-E155 IonicContact NZ-OE2 3.13Å; K139-E155 PolarHBondContact NZ-OE2 2.81Å; E155-N182 WeakPolarHBondContact O-CB 3.2Å; E155-N182 PolarHBondContact O-ND2 3.47Å
156	M	91.2	Very high	94	Very high	19 Å²	19	49.2 Å²	49.2	9%	0.094	25%	0.247	C	C	.	.			trans	-73.1	153.3	179.3	73.1	-174.6	-53.8	0	0	113	Y35 L37 V153 S154 T158 G255 L256	Y35-M156 HydrophobicContact CD1-CE 3.79Å; Y35-M156 HydrophobicContact CD1-SD 3.16Å; Y35-M156 WeakPolarHBondContact CD1-SD 3.32Å; Y35-M156 HydrophobicContact CE1-CE 3.7Å; Y35-M156 HydrophobicContact CE1-SD 3.75Å; Y35-M156 HydrophobicContact CG-SD 4.01Å; L37-M156 HydrophobicContact CD2-CG 4.34Å; V153-M156 HydrophobicContact CG1-CB 4.19Å; V153-M156 HydrophobicContact CG1-SD 4.43Å; S154-M156 PolarHBondContact O-N 3.03Å; M156-T158 PolarHBondContact O-N 2.95Å; M156-T158 PolarHBondContact O-OG1 2.88Å; M156-G255 VanDerWaalsContact CE-C 3.48Å; M156-L256 HydrophobicContact CE-CB 3.93Å; M156-L256 VanDerWaalsContact CE-N 3.3Å; M156-L256 HydrophobicContact SD-CB 4.08Å
157	P	94.7	Very high	94.4	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	24%	0.24	C	C	.	.			trans	-55.2	131.1	170.1	-21.1	30.7	0	0	0	110.5	R181 N182 P248 G253 G255 L256	P157-R181 CarbonylContact C-O 3.45Å; P157-R181 VanDerWaalsContact CA-O 3.28Å; P157-R181 WeakPolarHBondContact CA-O 3.23Å; P157-N182 WeakPolarHBondContact CG-O 3.44Å; P157-P248 HydrophobicContact CB-CB 3.84Å; P157-P248 HydrophobicContact CB-CG 4.22Å; P157-P248 WeakPolarHBondContact O-CG 3.32Å; P157-G253 WeakPolarHBondContact CG-O 3.21Å; P157-G255 CarbonylContact O-C 3.51Å; P157-G255 WeakPolarHBondContact O-CA 3.43Å; P157-L256 PolarHBondContact O-N 3.24Å
158	T	94.4	Very high	94.9	Very high	8 Å²	8	40.3 Å²	40.3	5%	0.049	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	130.4	-172.1	-59.8	0	0	0	0	111	L37 M156 T160 V180 R181 L256	L37-T158 HydrophobicContact CD1-CG2 3.89Å; L37-T158 HydrophobicContact CD2-CG2 3.95Å; L37-T158 WeakPolarHBondContact CD2-OG1 3.32Å; M156-T158 PolarHBondContact O-N 2.95Å; M156-T158 PolarHBondContact O-OG1 2.88Å; T158-T160 PolarHBondContact O-N 2.85Å; T158-V180 WeakPolarHBondContact O-CA 3.46Å; T158-R181 PolarHBondContact N-O 2.84Å; T158-R181 PolarHBondContact O-N 2.98Å; T158-L256 HydrophobicContact CG2-CB 4.4Å; T158-L256 HydrophobicContact CG2-CD2 4.16Å
159	I	95.7	Very high	95.1	Very high	8 Å²	8	36.8 Å²	36.8	4%	0.041	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	114.7	170.6	-58.2	-60.9	0	0	0	109.3	K161 L162 F178 S179 V180 C246 P248 R258	I159-K161 VanDerWaalsContact CG2-O 3.23Å; I159-K161 WeakPolarHBondContact CG2-O 3.24Å; I159-L162 HydrophobicContact CG2-CB 3.78Å; I159-F178 HydrophobicContact CD1-CD2 4.22Å; I159-S179 WeakPolarHBondContact CA-O 3.28Å; I159-V180 HydrophobicContact CD1-CB 4.22Å; I159-V180 HydrophobicContact CD1-CG2 4.36Å; I159-C246 HydrophobicContact CD1-CB 4.49Å; I159-C246 WeakPolarHBondContact CD1-SG 3.31Å; I159-C246 HydrophobicContact CG1-CB 4.33Å; I159-P248 HydrophobicContact CD1-CB 3.73Å; I159-P248 HydrophobicContact CD1-CG 4.24Å; I159-P248 HydrophobicContact CG1-CB 3.95Å; I159-P248 HydrophobicContact CG1-CG 3.87Å; I159-R258 HydrophobicContact CB-CB 4.09Å; I159-R258 HydrophobicContact CB-CG 4.01Å; I159-R258 HydrophobicContact CG2-CB 4.19Å; I159-R258 HydrophobicContact CG2-CG 4.4Å
160	T	93.2	Very high	95.3	Very high	72 Å²	72	35 Å²	35	44%	0.442	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-23.6	-179.6	55.9	0	0	0	0	112.6	T158 S179 R181	T158-T160 PolarHBondContact O-N 2.85Å; T160-S179 PolarHBondContact N-O 2.95Å; T160-S179 WeakPolarHBondContact OG1-CB 3.4Å; T160-S179 PolarHBondContact OG1-O 2.72Å; T160-R181 HydrophobicContact CG2-CB 3.94Å
161	K	95.1	Very high	95.2	Very high	92 Å²	92	37.1 Å²	37.1	40%	0.4	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	135.6	175.5	-178.3	179.6	178.2	-175.1	0	108.2	I159 F178 S179	I159-K161 VanDerWaalsContact CG2-O 3.23Å; I159-K161 WeakPolarHBondContact CG2-O 3.24Å; K161-F178 CarbonylContact O-C 3.54Å; K161-F178 WeakPolarHBondContact O-CA 3.39Å; K161-F178 VanDerWaalsContact O-CB 3.26Å; K161-F178 WeakPolarHBondContact O-CB 3.02Å; K161-S179 PolarHBondContact O-N 3.3Å
162	L	97.5	Very high	95.3	Very high	26 Å²	26	31.4 Å²	31.4	14%	0.136	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	122.2	172.5	-174.9	63.4	0	0	0	108.6	I159 P176 I177 F178 L244 C246 R258 Y260	I159-L162 HydrophobicContact CG2-CB 3.78Å; L162-P176 HydrophobicContact CD1-CB 4.33Å; L162-I177 CarbonylContact C-O 3.56Å; L162-I177 WeakPolarHBondContact CA-O 3.3Å; L162-F178 HydrophobicContact CD1-CB 3.77Å; L162-L244 HydrophobicContact CD1-CD2 3.77Å; L162-L244 HydrophobicContact CG-CD2 4.31Å; L162-C246 HydrophobicContact CD1-CB 4.03Å; L162-C246 HydrophobicContact CD2-CB 3.95Å; L162-R258 HydrophobicContact CD2-CB 4.04Å; L162-R258 VanDerWaalsContact CD2-O 3.24Å; L162-R258 WeakPolarHBondContact CD2-O 3.42Å; L162-Y260 WeakPolarHBondContact O-CD2 3.11Å
163	K	96.7	Very high	95.3	Very high	62 Å²	62	32.1 Å²	32.1	27%	0.27	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	166.6	170.2	65.6	173.7	-177.3	159.9	0	110.5	E165 P176 I177 Y260	K163-E165 VanDerWaalsContact CE-OE2 3.24Å; K163-E165 WeakPolarHBondContact CE-OE2 3.24Å; K163-E165 IonicContact NZ-OE2 3.39Å; K163-E165 PolarHBondContact NZ-OE2 2.86Å; K163-P176 WeakPolarHBondContact O-CA 3.46Å; K163-I177 HydrophobicContact CG-CB 3.89Å; K163-I177 HydrophobicContact CG-CG2 4.36Å; K163-I177 PolarHBondContact N-O 3.38Å; K163-I177 PolarHBondContact O-N 3Å; K163-Y260 HydrophobicContact CB-CD2 4.21Å; K163-Y260 HydrophobicContact CB-CE1 4.3Å; K163-Y260 HydrophobicContact CB-CE2 3.69Å
164	V	97.4	Very high	95.5	Very high	14 Å²	14	30.5 Å²	30.5	9%	0.085	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.2	168.7	-178.6	0	0	0	0	106.1	C166 L168 W192 L244 Y260	V164-C166 VanDerWaalsContact CG1-SG 3.52Å; V164-L168 HydrophobicContact CG1-CD2 4.26Å; V164-W192 HydrophobicContact CG1-CH2 4.22Å; V164-W192 HydrophobicContact CG2-CH2 3.57Å; V164-W192 HydrophobicContact CG2-CZ3 3.86Å; V164-L244 HydrophobicContact CG2-CB 4.47Å; V164-L244 HydrophobicContact CG2-CD2 3.79Å; V164-Y260 HydrophobicContact CB-CD1 4.34Å; V164-Y260 HydrophobicContact CB-CE1 4.04Å; V164-Y260 HydrophobicContact CG2-CD1 4.03Å; V164-Y260 HydrophobicContact CG2-CE1 4.25Å; V164-Y260 VanDerWaalsContact N-CE1 3.27Å
165	E	94.9	Very high	95.7	Very high	52 Å²	52	29.6 Å²	29.6	24%	0.243	16%	0.164	C	C	.	.			trans	-89.4	-41.6	-177.4	-165.7	67.1	-147.4	0	0	112	K163 I177 G327 L354	K163-E165 VanDerWaalsContact CE-OE2 3.24Å; K163-E165 WeakPolarHBondContact CE-OE2 3.24Å; K163-E165 IonicContact NZ-OE2 3.39Å; K163-E165 PolarHBondContact NZ-OE2 2.86Å; E165-I177 HydrophobicContact CB-CD1 3.74Å; E165-I177 HydrophobicContact CG-CD1 4.37Å; E165-G327 WeakPolarHBondContact O-CA 3.44Å; E165-L354 HydrophobicContact CG-CD2 3.94Å
166	C	96.5	Very high	96.2	Very high	7 Å²	7	25.5 Å²	25.5	5%	0.047	15%	0.145	C	C	.	.	S	Bend	trans	-66.1	139.6	179.4	55.4	0	0	0	0	111.8	V164 L168 G174 G327 T330 S331 M334	V164-C166 VanDerWaalsContact CG1-SG 3.52Å; C166-L168 PolarHBondContact O-N 3.14Å; C166-G174 WeakPolarHBondContact SG-CA 3.1Å; C166-G327 WeakPolarHBondContact CA-O 3.31Å; C166-T330 HydrophobicContact CB-CG2 4.13Å; C166-S331 VanDerWaalsContact CB-OG 3.3Å; C166-S331 WeakPolarHBondContact CB-OG 3.48Å; C166-M334 HydrophobicContact CB-SD 3.93Å
167	D	97.2	Very high	96.4	Very high	32 Å²	32	24.6 Å²	24.6	17%	0.171	14%	0.141	C	C	.	.			trans	-68.8	126.9	168.3	-81.7	-7	0	0	0	109.3	M169 R264 G327 S331	D167-M169 HydrophobicContact CB-CE 4.17Å; D167-M169 PolarHBondContact O-N 3.13Å; D167-R264 IonicContact OD1-NH1 2.95Å; D167-R264 IonicContact OD2-CZ 2.69Å; D167-R264 IonicContact OD2-NH1 2.69Å; D167-R264 PolarHBondContact OD2-NH1 2.95Å; D167-G327 PolarHBondContact N-O 2.93Å; D167-S331 PolarHBondContact N-OG 2.68Å; D167-S331 WeakPolarHBondContact O-CB 3.3Å; D167-S331 PolarHBondContact O-OG 2.8Å
168	L	98.2	Very high	96.5	Very high	10 Å²	10	24.8 Å²	24.8	5%	0.052	14%	0.141	C	C	.	.			trans	-79.6	114.6	-179.4	-62.1	178.4	0	0	0	109.4	V164 C166 W192 F231 P233 V242 C262 V266 G267	V164-L168 HydrophobicContact CG1-CD2 4.26Å; C166-L168 PolarHBondContact O-N 3.14Å; L168-W192 HydrophobicContact CD1-CZ3 4.12Å; L168-W192 HydrophobicContact CD2-CZ3 4.45Å; L168-F231 HydrophobicContact CD1-CD1 4.24Å; L168-F231 HydrophobicContact CD1-CE1 4.24Å; L168-F231 HydrophobicContact CD2-CD1 4.31Å; L168-P233 HydrophobicContact CB-CG 4.04Å; L168-V242 HydrophobicContact CD1-CB 3.66Å; L168-V242 HydrophobicContact CD1-CG1 3.62Å; L168-V242 HydrophobicContact CD1-CG2 3.63Å; L168-C262 HydrophobicContact CD1-CB 4.39Å; L168-V266 HydrophobicContact CB-CG2 4.42Å; L168-V266 VanDerWaalsContact O-CA 3.31Å; L168-V266 WeakPolarHBondContact O-CA 3.35Å; L168-G267 PolarHBondContact O-N 2.9Å
169	M	98.1	Very high	96.6	Very high	8 Å²	8	27 Å²	27	4%	0.039	16%	0.157	C	C	.	.	B	Isolated β-bridge	trans	-131	147	-177.3	-70.7	178.1	-79.2	0	0	110	D167 G171 L172 G267 Y328 L332	D167-M169 HydrophobicContact CB-CE 4.17Å; D167-M169 PolarHBondContact O-N 3.13Å; M169-G171 PolarHBondContact O-N 2.9Å; M169-L172 HydrophobicContact CB-CB 4.37Å; M169-L172 HydrophobicContact CB-CD1 4.04Å; M169-L172 HydrophobicContact CB-CG 4.44Å; M169-L172 HydrophobicContact CE-CD1 3.68Å; M169-L172 PolarHBondContact O-N 3.32Å; M169-L172 HydrophobicContact SD-CD1 4.3Å; M169-G267 VanDerWaalsContact CA-O 3.28Å; M169-G267 WeakPolarHBondContact CA-O 3.32Å; M169-Y328 HydrophobicContact CE-CD2 3.77Å; M169-Y328 HydrophobicContact CE-CE2 3.87Å; M169-Y328 HydrophobicContact CE-CG 4.49Å; M169-Y328 HydrophobicContact SD-CD2 3.86Å; M169-Y328 HydrophobicContact SD-CE2 3.58Å; M169-Y328 VanDerWaalsContact SD-CE2 3.58Å; M169-L332 HydrophobicContact CE-CD2 4.41Å
170	V	98	Very high	96.5	Very high	32 Å²	32	28.4 Å²	28.4	19%	0.194	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	129.4	-179.8	178.9	0	0	0	0	111.2	L172 P233 K234 V238 V266 G267	V170-L172 PolarHBondContact O-N 3.34Å; V170-P233 WeakPolarHBondContact CA-O 3.32Å; V170-K234 WeakPolarHBondContact CG2-O 3.32Å; V170-V238 HydrophobicContact CG2-CG2 3.31Å; V170-V266 HydrophobicContact CG2-CG1 4.15Å; V170-G267 PolarHBondContact N-O 2.7Å
171	G	96	Very high	96.5	Very high	49 Å²	49	29.7 Å²	29.7	51%	0.505	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	-4.3	177.7	0	0	0	0	0	115.4	M169 P233	M169-G171 PolarHBondContact O-N 2.9Å; G171-P233 PolarHBondContact N-O 2.92Å
172	L	97.4	Very high	96.4	Very high	19 Å²	19	29 Å²	29	10%	0.099	16%	0.163	C	C	.	.	S	Bend	trans	-104.8	135.4	176.9	-62.5	-177.7	0	0	0	111	M169 V170 P233 L332 N335	M169-L172 HydrophobicContact CB-CB 4.37Å; M169-L172 HydrophobicContact CB-CD1 4.04Å; M169-L172 HydrophobicContact CB-CG 4.44Å; M169-L172 HydrophobicContact CE-CD1 3.68Å; M169-L172 PolarHBondContact O-N 3.32Å; M169-L172 HydrophobicContact SD-CD1 4.3Å; V170-L172 PolarHBondContact O-N 3.34Å; L172-P233 VanDerWaalsContact O-CD 3.28Å; L172-P233 WeakPolarHBondContact O-CD 3.26Å; L172-L332 HydrophobicContact CD1-CD2 3.61Å; L172-N335 HydrophobicContact CD2-CB 3.93Å
173	S	95.9	Very high	96.3	Very high	23 Å²	23	29.2 Å²	29.2	16%	0.161	17%	0.172	C	C	.	.			trans	-66.2	131.1	178	-56.2	0	0	0	0	112.4	N335	S173-N335 WeakPolarHBondContact CB-OD1 2.89Å; S173-N335 PolarHBondContact N-ND2 3.32Å; S173-N335 PolarHBondContact N-OD1 3.4Å; S173-N335 PolarHBondContact OG-OD1 2.7Å
174	G	96.3	Very high	96.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-106.1	145.1	165.1	0	0	0	0	0	111.8	C166 V230 F231	C166-G174 WeakPolarHBondContact SG-CA 3.1Å; G174-V230 WeakPolarHBondContact O-CA 3.48Å; G174-F231 PolarHBondContact N-O 3.3Å; G174-F231 PolarHBondContact O-N 3.36Å
175	Y	97.5	Very high	95.8	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	18%	0.179	C	C	.	.			trans	-143.5	142.7	-176.8	-170.2	-94.5	0	0	0	111.2	R185 C229 V230 M334 L358 P361 F362 E365	Y175-R185 VanDerWaalsContact CE1-NH2 3.34Å; Y175-R185 PolarHBondContact OH-NH2 3.41Å; Y175-C229 HydrophobicContact CE2-CB 4.43Å; Y175-C229 WeakPolarHBondContact CE2-SG 3.28Å; Y175-V230 HydrophobicContact CD2-CG2 3.98Å; Y175-V230 HydrophobicContact CE2-CG2 4.46Å; Y175-M334 HydrophobicContact CG-CE 4.49Å; Y175-L358 HydrophobicContact CD1-CD1 3.77Å; Y175-L358 HydrophobicContact CG-CD1 4.45Å; Y175-P361 HydrophobicContact CE1-CB 4.46Å; Y175-P361 HydrophobicContact CE1-CG 4.45Å; Y175-P361 PolarHBondContact OH-O 3.16Å; Y175-F362 HydrophobicContact CD1-CB 4.1Å; Y175-F362 HydrophobicContact CD1-CD2 4.27Å; Y175-F362 AromaticContact CD2-CD2 3.6Å; Y175-F362 HydrophobicContact CD2-CD2 3.6Å; Y175-F362 HydrophobicContact CD2-CE2 4.29Å; Y175-F362 HydrophobicContact CE1-CB 4.07Å; Y175-F362 HydrophobicContact CE2-CD2 4.07Å; Y175-F362 HydrophobicContact CG-CB 4.38Å; Y175-F362 AromaticContact CG-CD2 3.7Å; Y175-F362 HydrophobicContact CG-CD2 3.7Å; Y175-F362 HydrophobicContact CG-CE2 4.47Å; Y175-F362 HydrophobicContact CG-CG 4.42Å; Y175-E365 HydrophobicContact CE2-CG 3.98Å; Y175-E365 PolarHBondContact OH-OE1 2.91Å
176	P	97.5	Very high	95.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	139.1	-178.3	32.9	-34.4	0	0	0	113.4	L162 K163 F178 F190 C229 L244	L162-P176 HydrophobicContact CD1-CB 4.33Å; K163-P176 WeakPolarHBondContact O-CA 3.46Å; P176-F178 HydrophobicContact CB-CD1 4.07Å; P176-F178 HydrophobicContact CG-CD1 3.9Å; P176-F178 HydrophobicContact CG-CE1 4.1Å; P176-F190 HydrophobicContact CB-CE1 4.31Å; P176-F190 HydrophobicContact CG-CD1 3.92Å; P176-F190 HydrophobicContact CG-CE1 3.65Å; P176-F190 HydrophobicContact CG-CZ 4.31Å; P176-C229 VanDerWaalsContact CD-O 3.24Å; P176-C229 WeakPolarHBondContact CD-O 3.41Å; P176-L244 HydrophobicContact CB-CD2 3.54Å; P176-L244 HydrophobicContact CG-CD2 4.38Å
177	I	97.3	Very high	95.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	111.3	162.2	-59.8	-176.6	0	0	0	107.8	L162 K163 E165 L354 L358	L162-I177 CarbonylContact C-O 3.56Å; L162-I177 WeakPolarHBondContact CA-O 3.3Å; K163-I177 HydrophobicContact CG-CB 3.89Å; K163-I177 HydrophobicContact CG-CG2 4.36Å; K163-I177 PolarHBondContact N-O 3.38Å; K163-I177 PolarHBondContact O-N 3Å; E165-I177 HydrophobicContact CB-CD1 3.74Å; E165-I177 HydrophobicContact CG-CD1 4.37Å; I177-L354 HydrophobicContact CD1-CD2 4.24Å; I177-L358 HydrophobicContact CD1-CB 3.86Å; I177-L358 HydrophobicContact CG1-CB 3.95Å; I177-L358 HydrophobicContact CG1-CD1 4.29Å
178	F	96.8	Very high	95.4	Very high	5 Å²	5	36.4 Å²	36.4	2%	0.022	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	158.2	-177.7	72.9	-80.9	0	0	0	113.7	I159 K161 L162 P176 R185 C188 F190	I159-F178 HydrophobicContact CD1-CD2 4.22Å; K161-F178 CarbonylContact O-C 3.54Å; K161-F178 WeakPolarHBondContact O-CA 3.39Å; K161-F178 VanDerWaalsContact O-CB 3.26Å; K161-F178 WeakPolarHBondContact O-CB 3.02Å; L162-F178 HydrophobicContact CD1-CB 3.77Å; P176-F178 HydrophobicContact CB-CD1 4.07Å; P176-F178 HydrophobicContact CG-CD1 3.9Å; P176-F178 HydrophobicContact CG-CE1 4.1Å; F178-R185 HydrophobicContact CE1-CG 4.3Å; F178-R185 HydrophobicContact CE2-CB 4.47Å; F178-R185 HydrophobicContact CE2-CG 3.6Å; F178-R185 HydrophobicContact CZ-CG 3.3Å; F178-R185 VanDerWaalsContact CZ-CZ 3.42Å; F178-R185 PolarHBondContact O-NH1 3.23Å; F178-C188 HydrophobicContact CE2-CB 4.1Å; F178-C188 HydrophobicContact CZ-CB 4.44Å; F178-F190 HydrophobicContact CD1-CE1 4.03Å; F178-F190 AromaticContact CD1-CZ 3.94Å; F178-F190 HydrophobicContact CD1-CZ 3.94Å; F178-F190 HydrophobicContact CD2-CZ 4.33Å; F178-F190 AromaticContact CE1-CE1 3.91Å; F178-F190 HydrophobicContact CE1-CE1 3.91Å; F178-F190 HydrophobicContact CE1-CE2 4.3Å; F178-F190 AromaticContact CE1-CZ 3.37Å; F178-F190 HydrophobicContact CE1-CZ 3.37Å; F178-F190 AromaticContact CE2-CZ 3.83Å; F178-F190 HydrophobicContact CE2-CZ 3.83Å; F178-F190 HydrophobicContact CG-CE1 4.42Å; F178-F190 HydrophobicContact CG-CZ 4.38Å; F178-F190 HydrophobicContact CZ-CE1 4.23Å; F178-F190 HydrophobicContact CZ-CE2 4.12Å; F178-F190 AromaticContact CZ-CZ 3.34Å; F178-F190 HydrophobicContact CZ-CZ 3.34Å
179	S	95.1	Very high	95.3	Very high	54 Å²	54	39 Å²	39	38%	0.378	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	138.4	175.4	-54.8	0	0	0	0	109.3	I159 T160 K161	I159-S179 WeakPolarHBondContact CA-O 3.28Å; T160-S179 PolarHBondContact N-O 2.95Å; T160-S179 WeakPolarHBondContact OG1-CB 3.4Å; T160-S179 PolarHBondContact OG1-O 2.72Å; K161-S179 PolarHBondContact O-N 3.3Å
180	V	94.8	Very high	95.2	Very high	37 Å²	37	39.1 Å²	39.1	22%	0.224	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.4	-179.4	62.7	0	0	0	0	109.8	T158 I159 P248	T158-V180 WeakPolarHBondContact O-CA 3.46Å; I159-V180 HydrophobicContact CD1-CB 4.22Å; I159-V180 HydrophobicContact CD1-CG2 4.36Å; V180-P248 HydrophobicContact CG2-CB 3.71Å
181	R	93.5	Very high	95.1	Very high	100 Å²	100	38.4 Å²	38.4	38%	0.377	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	144.9	169.8	-177.2	177.9	-67.5	137	1	108.9	E38 P157 T158 T160 G183	E38-R181 PolarHBondContact O-NH1 2.92Å; P157-R181 CarbonylContact C-O 3.45Å; P157-R181 VanDerWaalsContact CA-O 3.28Å; P157-R181 WeakPolarHBondContact CA-O 3.23Å; T158-R181 PolarHBondContact N-O 2.84Å; T158-R181 PolarHBondContact O-N 2.98Å; T160-R181 HydrophobicContact CG2-CB 3.94Å; R181-G183 PolarHBondContact O-N 2.89Å; R181-G183 VanDerWaalsContact O-N 3.09Å
182	N	93	Very high	95.2	Very high	78 Å²	78	36 Å²	36	42%	0.417	20%	0.195	S	C	.	.	S	Bend	trans	55.8	21.9	180	-54.3	-24.2	0	0	0	114.3	E155 P157	E155-N182 WeakPolarHBondContact O-CB 3.2Å; E155-N182 PolarHBondContact O-ND2 3.47Å; P157-N182 WeakPolarHBondContact CG-O 3.44Å
183	G	93.6	Very high	95.2	Very high	30 Å²	30	35.2 Å²	35.2	31%	0.309	19%	0.19	S	C	.	.	S	Bend	trans	-145.4	176.5	-179.1	0	0	0	0	0	111	R181 N249	R181-G183 PolarHBondContact O-N 2.89Å; R181-G183 VanDerWaalsContact O-N 3.09Å; G183-N249 CarbonylContact C-O 3.47Å; G183-N249 WeakPolarHBondContact CA-O 3.48Å
184	S	93.2	Very high	95.3	Very high	38 Å²	38	34.2 Å²	34.2	27%	0.266	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	135.2	178.2	169.4	0	0	0	0	109.7	N186 D187 C188 N249	S184-N186 PolarHBondContact O-N 3.45Å; S184-N186 PolarHBondContact OG-N 3.06Å; S184-D187 WeakPolarHBondContact CB-OD2 3.36Å; S184-D187 PolarHBondContact O-N 3.18Å; S184-D187 PolarHBondContact OG-OD2 3.4Å; S184-C188 PolarHBondContact O-N 2.99Å; S184-C188 PolarHBondContact O-SG 3.09Å; S184-N249 PolarHBondContact N-O 2.96Å
185	R	92	Very high	95.2	Very high	63 Å²	63	36 Å²	36	24%	0.238	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	-41.5	174.3	-170.1	-173.6	174.1	87.3	1.9	111	Y175 F178 D187 C188 P361	Y175-R185 VanDerWaalsContact CE1-NH2 3.34Å; Y175-R185 PolarHBondContact OH-NH2 3.41Å; F178-R185 HydrophobicContact CE1-CG 4.3Å; F178-R185 HydrophobicContact CE2-CB 4.47Å; F178-R185 HydrophobicContact CE2-CG 3.6Å; F178-R185 HydrophobicContact CZ-CG 3.3Å; F178-R185 VanDerWaalsContact CZ-CZ 3.42Å; F178-R185 PolarHBondContact O-NH1 3.23Å; R185-D187 VanDerWaalsContact C-N 3.27Å; R185-D187 PolarHBondContact O-N 3.48Å; R185-C188 WeakPolarHBondContact O-CB 3.16Å; R185-C188 PolarHBondContact O-N 3.04Å; R185-P361 VanDerWaalsContact NE-CB 3.3Å
186	N	91.3	Very high	94.9	Very high	125 Å²	125	40.1 Å²	40.1	67%	0.668	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	-22	-175.6	-62	-14.9	0	0	0	112.6	S184	S184-N186 PolarHBondContact O-N 3.45Å; S184-N186 PolarHBondContact OG-N 3.06Å
187	D	92.9	Very high	93.8	Very high	80 Å²	80	44.9 Å²	44.9	43%	0.428	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-6.1	179.7	-55.1	-25	0	0	0	112.2	S184 R185 N249	S184-D187 WeakPolarHBondContact CB-OD2 3.36Å; S184-D187 PolarHBondContact O-N 3.18Å; S184-D187 PolarHBondContact OG-OD2 3.4Å; R185-D187 VanDerWaalsContact C-N 3.27Å; R185-D187 PolarHBondContact O-N 3.48Å; D187-N249 HydrophobicContact CB-CB 3.83Å; D187-N249 WeakPolarHBondContact O-CB 3.13Å
188	C	95.6	Very high	92.3	Very high	12 Å²	12	52 Å²	52	8%	0.081	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	140.8	177.3	-67.7	0	0	0	0	111	F178 S184 R185 F190 F247	F178-C188 HydrophobicContact CE2-CB 4.1Å; F178-C188 HydrophobicContact CZ-CB 4.44Å; S184-C188 PolarHBondContact O-N 2.99Å; S184-C188 PolarHBondContact O-SG 3.09Å; R185-C188 WeakPolarHBondContact O-CB 3.16Å; R185-C188 PolarHBondContact O-N 3.04Å; C188-F190 HydrophobicContact CB-CE2 3.77Å; C188-F190 HydrophobicContact CB-CZ 3.79Å; C188-F190 WeakPolarHBondContact O-CE2 3.06Å; C188-F247 CarbonylContact C-O 3.58Å; C188-F247 VanDerWaalsContact CA-O 3.3Å; C188-F247 WeakPolarHBondContact CA-O 3.31Å
189	Q	95.2	Very high	90.2	Very high	64 Å²	64	56.9 Å²	56.9	30%	0.299	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	144.3	178.6	-59.2	177.8	-6.5	0	0	111	Y191 C246 F247	Q189-Y191 HydrophobicContact CB-CE2 3.94Å; Q189-Y191 PolarHBondContact OE1-OH 3.38Å; Q189-C246 CarbonylContact O-C 3.55Å; Q189-C246 VanDerWaalsContact O-CA 3.32Å; Q189-C246 WeakPolarHBondContact O-CA 3.37Å; Q189-F247 HydrophobicContact CB-CB 4.31Å; Q189-F247 PolarHBondContact N-O 3.31Å; Q189-F247 PolarHBondContact O-N 3.4Å
190	F	96.4	Very high	87.6	Confident	11 Å²	11	59.6 Å²	59.6	5%	0.048	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.2	-172	-62	-86.3	0	0	0	110.7	P176 F178 C188 K227 S228 C229 L244 V245 C246	P176-F190 HydrophobicContact CB-CE1 4.31Å; P176-F190 HydrophobicContact CG-CD1 3.92Å; P176-F190 HydrophobicContact CG-CE1 3.65Å; P176-F190 HydrophobicContact CG-CZ 4.31Å; F178-F190 HydrophobicContact CD1-CE1 4.03Å; F178-F190 AromaticContact CD1-CZ 3.94Å; F178-F190 HydrophobicContact CD1-CZ 3.94Å; F178-F190 HydrophobicContact CD2-CZ 4.33Å; F178-F190 AromaticContact CE1-CE1 3.91Å; F178-F190 HydrophobicContact CE1-CE1 3.91Å; F178-F190 HydrophobicContact CE1-CE2 4.3Å; F178-F190 AromaticContact CE1-CZ 3.37Å; F178-F190 HydrophobicContact CE1-CZ 3.37Å; F178-F190 AromaticContact CE2-CZ 3.83Å; F178-F190 HydrophobicContact CE2-CZ 3.83Å; F178-F190 HydrophobicContact CG-CE1 4.42Å; F178-F190 HydrophobicContact CG-CZ 4.38Å; F178-F190 HydrophobicContact CZ-CE1 4.23Å; F178-F190 HydrophobicContact CZ-CE2 4.12Å; F178-F190 AromaticContact CZ-CZ 3.34Å; F178-F190 HydrophobicContact CZ-CZ 3.34Å; C188-F190 HydrophobicContact CB-CE2 3.77Å; C188-F190 HydrophobicContact CB-CZ 3.79Å; C188-F190 WeakPolarHBondContact O-CE2 3.06Å; F190-K227 CarbonylContact O-C 3.46Å; F190-K227 WeakPolarHBondContact O-CA 3.3Å; F190-S228 WeakPolarHBondContact CB-O 3.46Å; F190-S228 PolarHBondContact O-N 3.02Å; F190-C229 HydrophobicContact CD2-CB 3.64Å; F190-C229 HydrophobicContact CE2-CB 4.03Å; F190-C229 HydrophobicContact CG-CB 4.23Å; F190-L244 HydrophobicContact CB-CD1 4.33Å; F190-L244 HydrophobicContact CD1-CD1 4.05Å; F190-V245 WeakPolarHBondContact CA-O 3.39Å; F190-C246 HydrophobicContact CD1-CB 4.07Å; F190-C246 HydrophobicContact CE1-CB 3.9Å; F190-C246 WeakPolarHBondContact CE1-SG 3.31Å
191	Y	96.9	Very high	85.2	Confident	16 Å²	16	64.9 Å²	64.9	6%	0.063	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	120.7	179.3	-61.6	-105.2	0	0	0	108.5	Q189 Y193 L214 L224 S226 K227 V245 F247	Q189-Y191 HydrophobicContact CB-CE2 3.94Å; Q189-Y191 PolarHBondContact OE1-OH 3.38Å; Y191-Y193 VanDerWaalsContact CB-CE2 3.47Å; Y191-L214 PolarHBondContact OH-O 2.7Å; Y191-L224 HydrophobicContact CD1-CD1 4.01Å; Y191-S226 CarbonylContact C-O 3.53Å; Y191-S226 WeakPolarHBondContact CA-O 3.5Å; Y191-K227 HydrophobicContact CD1-CD 4.31Å; Y191-K227 HydrophobicContact CD1-CG 3.85Å; Y191-K227 HydrophobicContact CE1-CD 3.88Å; Y191-K227 HydrophobicContact CE1-CG 3.91Å; Y191-V245 PolarHBondContact N-O 3.04Å; Y191-V245 PolarHBondContact O-N 3.4Å; Y191-F247 AromaticContact CD2-CD2 3.8Å; Y191-F247 HydrophobicContact CD2-CD2 3.8Å; Y191-F247 AromaticContact CD2-CE2 3.95Å; Y191-F247 HydrophobicContact CD2-CE2 3.95Å; Y191-F247 AromaticContact CE2-CD2 3.64Å; Y191-F247 HydrophobicContact CE2-CD2 3.64Å; Y191-F247 AromaticContact CE2-CE2 3.95Å; Y191-F247 HydrophobicContact CE2-CE2 3.95Å
192	W	97.8	Very high	82.2	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	124	178.8	-63.4	83.6	0	0	0	109.3	V164 L168 R225 S226 S228 F231 V242 L244	V164-W192 HydrophobicContact CG1-CH2 4.22Å; V164-W192 HydrophobicContact CG2-CH2 3.57Å; V164-W192 HydrophobicContact CG2-CZ3 3.86Å; L168-W192 HydrophobicContact CD1-CZ3 4.12Å; L168-W192 HydrophobicContact CD2-CZ3 4.45Å; W192-R225 PolarHBondContact O-N 3.36Å; W192-S226 PolarHBondContact N-O 2.81Å; W192-S226 PolarHBondContact O-N 2.83Å; W192-S228 PolarHBondContact NE1-O 2.81Å; W192-F231 HydrophobicContact CB-CB 4.29Å; W192-F231 HydrophobicContact CB-CD1 4.27Å; W192-F231 HydrophobicContact CB-CD2 4.04Å; W192-F231 HydrophobicContact CB-CE2 4.48Å; W192-F231 HydrophobicContact CB-CG 3.95Å; W192-F231 HydrophobicContact CD2-CB 3.33Å; W192-F231 AromaticContact CD2-CD1 3.77Å; W192-F231 HydrophobicContact CD2-CD1 3.77Å; W192-F231 AromaticContact CD2-CG 3.67Å; W192-F231 HydrophobicContact CD2-CG 3.67Å; W192-F231 HydrophobicContact CE3-CB 3.85Å; W192-F231 AromaticContact CE3-CD1 3.45Å; W192-F231 HydrophobicContact CE3-CD1 3.45Å; W192-F231 VanDerWaalsContact CE3-CD1 3.45Å; W192-F231 HydrophobicContact CE3-CE1 4.28Å; W192-F231 AromaticContact CE3-CG 3.88Å; W192-F231 HydrophobicContact CE3-CG 3.88Å; W192-F231 HydrophobicContact CG-CB 3.55Å; W192-F231 HydrophobicContact CG-CD1 4.16Å; W192-F231 HydrophobicContact CG-CD2 4.21Å; W192-F231 AromaticContact CG-CG 3.72Å; W192-F231 HydrophobicContact CG-CG 3.72Å; W192-F231 HydrophobicContact CH2-CB 4.3Å; W192-F231 HydrophobicContact CZ2-CB 3.86Å; W192-F231 HydrophobicContact CZ3-CB 4.31Å; W192-F231 AromaticContact CZ3-CD1 3.98Å; W192-F231 HydrophobicContact CZ3-CD1 3.98Å; W192-V242 HydrophobicContact CE3-CG1 3.75Å; W192-V242 HydrophobicContact CZ3-CG1 4.22Å; W192-L244 HydrophobicContact CD2-CD1 3.76Å; W192-L244 HydrophobicContact CE3-CB 4.12Å; W192-L244 HydrophobicContact CE3-CD1 4.2Å; W192-L244 HydrophobicContact CG-CD1 4.23Å; W192-L244 HydrophobicContact CH2-CB 4.47Å; W192-L244 HydrophobicContact CH2-CD1 4.29Å; W192-L244 HydrophobicContact CH2-CD2 4.13Å; W192-L244 HydrophobicContact CZ2-CD1 3.83Å; W192-L244 HydrophobicContact CZ2-CD2 4.21Å; W192-L244 HydrophobicContact CZ2-CG 4.5Å; W192-L244 HydrophobicContact CZ3-CB 4.1Å; W192-L244 HydrophobicContact CZ3-CD1 4.45Å
193	Y	97.5	Very high	79.3	Confident	2 Å²	2	66.8 Å²	66.8	1%	0.008	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	151.1	179.3	-62.9	-98	0	0	0	110.6	Y191 L217 L219 W222 T223 L224 V242 C243 V245	Y191-Y193 VanDerWaalsContact CB-CE2 3.47Å; Y193-L217 HydrophobicContact CE2-CD2 3.99Å; Y193-L217 WeakPolarHBondContact OH-CB 3.5Å; Y193-L217 WeakPolarHBondContact OH-CD2 3.2Å; Y193-L217 WeakPolarHBondContact OH-CG 3.2Å; Y193-L217 PolarHBondContact OH-O 3.31Å; Y193-L219 HydrophobicContact CD1-CB 4.34Å; Y193-L219 HydrophobicContact CD1-CD1 4.24Å; Y193-L219 HydrophobicContact CD1-CG 4.48Å; Y193-L219 HydrophobicContact CD2-CD1 3.74Å; Y193-L219 HydrophobicContact CE1-CB 4.32Å; Y193-L219 HydrophobicContact CE1-CD1 4.4Å; Y193-L219 HydrophobicContact CE1-CG 4.27Å; Y193-L219 HydrophobicContact CE2-CD1 3.91Å; Y193-L219 HydrophobicContact CE2-CG 4.33Å; Y193-L219 HydrophobicContact CG-CD1 3.93Å; Y193-W222 HydrophobicContact CD1-CB 4.03Å; Y193-W222 HydrophobicContact CG-CB 4.32Å; Y193-T223 CarbonylContact C-O 3.58Å; Y193-T223 VanDerWaalsContact CA-O 3.27Å; Y193-T223 WeakPolarHBondContact CA-O 3.33Å; Y193-L224 HydrophobicContact CD1-CB 3.93Å; Y193-L224 HydrophobicContact CD1-CD1 4.18Å; Y193-L224 HydrophobicContact CD2-CD1 4.37Å; Y193-L224 HydrophobicContact CE1-CB 3.71Å; Y193-L224 HydrophobicContact CE1-CD1 3.77Å; Y193-L224 HydrophobicContact CE1-CG 4.29Å; Y193-L224 HydrophobicContact CE2-CD1 3.99Å; Y193-L224 HydrophobicContact CG-CD1 4.44Å; Y193-V242 CarbonylContact O-C 3.55Å; Y193-V242 WeakPolarHBondContact O-CA 3.49Å; Y193-C243 PolarHBondContact N-O 2.87Å; Y193-C243 PolarHBondContact O-N 3.36Å; Y193-V245 HydrophobicContact CD2-CG2 4.13Å; Y193-V245 HydrophobicContact CE2-CB 4.38Å; Y193-V245 HydrophobicContact CE2-CG2 3.96Å
194	V	96.9	Very high	76.3	Confident	1 Å²	1	70.7 Å²	70.7	1%	0.006	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	152.4	172.8	-56.7	0	0	0	0	112.3	T223 R225 F231 K240 E241 V242	V194-T223 PolarHBondContact N-O 3.36Å; V194-T223 PolarHBondContact O-N 3.23Å; V194-R225 HydrophobicContact CB-CG 4.26Å; V194-R225 HydrophobicContact CG1-CG 3.65Å; V194-R225 HydrophobicContact CG2-CG 3.68Å; V194-R225 VanDerWaalsContact CG2-NE 3.31Å; V194-F231 HydrophobicContact CG1-CZ 4.32Å; V194-K240 HydrophobicContact CB-CB 4.04Å; V194-K240 HydrophobicContact CB-CD 4.27Å; V194-K240 HydrophobicContact CG2-CD 3.95Å; V194-E241 CarbonylContact C-O 3.57Å; V194-E241 WeakPolarHBondContact CA-O 3.4Å; V194-V242 HydrophobicContact CG1-CG2 4.23Å
195	K	94.3	Very high	73.6	Confident	39 Å²	39	72.6 Å²	72.6	17%	0.17	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	144.3	177.2	-179.6	175.7	178.4	-168.5	0	111.4	G221 W222 K240 E241	K195-G221 WeakPolarHBondContact CD-O 3.24Å; K195-G221 VanDerWaalsContact CG-O 3.31Å; K195-G221 WeakPolarHBondContact CG-O 3.19Å; K195-W222 HydrophobicContact CB-CD2 3.83Å; K195-W222 HydrophobicContact CB-CE3 3.57Å; K195-W222 HydrophobicContact CB-CG 4.5Å; K195-W222 HydrophobicContact CB-CH2 4.01Å; K195-W222 HydrophobicContact CB-CZ2 4.28Å; K195-W222 HydrophobicContact CB-CZ3 3.66Å; K195-W222 HydrophobicContact CD-CD2 4.38Å; K195-W222 HydrophobicContact CD-CZ2 4.26Å; K195-K240 CarbonylContact O-C 3.56Å; K195-K240 WeakPolarHBondContact O-CA 3.45Å; K195-K240 WeakPolarHBondContact O-CB 3.46Å; K195-E241 PolarHBondContact N-O 3.44Å; K195-E241 PolarHBondContact O-N 3.05Å
196	E	90.6	Very high	70.6	Confident	87 Å²	87	75.6 Å²	75.6	41%	0.407	43%	0.425	S	S	.	.			trans	-68.7	133.5	173.6	-60	-67.1	172.5	0	0	110.9	N198 E199 K240	E196-N198 PolarHBondContact O-N 2.88Å; E196-N198 VanDerWaalsContact O-N 3.13Å; E196-E199 HydrophobicContact CB-CG 4.24Å; E196-K240 VanDerWaalsContact CD-CE 3.47Å; E196-K240 WeakPolarHBondContact OE1-CE 3.47Å; E196-K240 IonicContact OE1-NZ 3.24Å; E196-K240 PolarHBondContact OE1-NZ 2.92Å
197	M	74.5	Confident	67.6	Low	100 Å²	100	73.5 Å²	73.5	49%	0.493	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.5	-177.7	-84.1	-170.9	157.5	0	0	114.5	E241 P265	M197-E241 HydrophobicContact CE-CG 4.07Å; M197-E241 HydrophobicContact CG-CG 3.74Å; M197-P265 HydrophobicContact CE-CB 3.77Å; M197-P265 HydrophobicContact CE-CG 3.6Å; M197-P265 HydrophobicContact SD-CB 4.48Å; M197-P265 HydrophobicContact SD-CG 4.38Å
198	N	65.7	Low	64.9	Low	151 Å²	151	74 Å²	74	81%	0.807	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.1	9.7	-170.6	-69.4	-24	0	0	0	114.7	E196 T200	E196-N198 PolarHBondContact O-N 2.88Å; E196-N198 VanDerWaalsContact O-N 3.13Å; N198-T200 VanDerWaalsContact C-N 3.32Å; N198-T200 PolarHBondContact O-N 2.78Å
199	E	52.9	Low	61.9	Low	106 Å²	106	78.2 Å²	78.2	50%	0.495	46%	0.456	S	S	.	.			trans	-75.2	87.2	170	-75.1	-174.5	177.6	0	0	110.4	E196 E201	E196-E199 HydrophobicContact CB-CG 4.24Å; E199-E201 PolarHBondContact O-N 2.61Å
200	T	41.3	Very low	58.9	Low	111 Å²	111	84.4 Å²	84.4	68%	0.681	48%	0.482	S	S	*	.			trans	-55.5	128.1	157.9	45.7	0	0	0	0	108.4	N198 N202	N198-T200 VanDerWaalsContact C-N 3.32Å; N198-T200 PolarHBondContact O-N 2.78Å; T200-N202 VanDerWaalsContact C-N 3.26Å; T200-N202 PolarHBondContact O-N 2.88Å
201	E	44.4	Very low	56.1	Low	149 Å²	149	92.4 Å²	92.4	70%	0.696	52%	0.52	S	S	*	.			trans	-56.1	81.9	177.8	-67.5	-177.9	163	0	0	112.1	E199	E199-E201 PolarHBondContact O-N 2.61Å
202	N	30.4	Very low	53.4	Low	156 Å²	156	96 Å²	96	83%	0.834	54%	0.539	S	S	*	.			trans	-106.7	64.2	164.4	-76.6	-19.1	0	0	0	107.6	T200	T200-N202 VanDerWaalsContact C-N 3.26Å; T200-N202 PolarHBondContact O-N 2.88Å
203	G	31.9	Very low	50.7	Low	61 Å²	61	102.1 Å²	102.1	63%	0.629	57%	0.568	S	S	*	*	S	Bend	trans	-153.4	105.7	178.9	0	0	0	0	0	110.1	S205	G203-S205 PolarHBondContact O-N 2.8Å; G203-S205 VanDerWaalsContact O-N 3.11Å
204	S	31.6	Very low	48.3	Very low	112 Å²	112	103.8 Å²	103.8	78%	0.783	58%	0.577	S	S	*	*			trans	-50.1	116	170.2	54.8	0	0	0	0	110.3	T206	S204-T206 PolarHBondContact O-N 2.91Å
205	S	35.6	Very low	46	Very low	79 Å²	79	111.1 Å²	111.1	55%	0.552	61%	0.611	S	S	*	*			trans	-54	114.3	171.3	173.1	0	0	0	0	110.7	G203	G203-S205 PolarHBondContact O-N 2.8Å; G203-S205 VanDerWaalsContact O-N 3.11Å
206	T	28.7	Very low	44.2	Very low	126 Å²	126	118.6 Å²	118.6	77%	0.773	64%	0.638	S	S	*	*			trans	-96.3	114.8	156.6	38.8	0	0	0	0	107.7	S204 P208	S204-T206 PolarHBondContact O-N 2.91Å; T206-P208 WeakPolarHBondContact O-CD 3.45Å
207	C	29.7	Very low	43.2	Very low	80 Å²	80	115.2 Å²	115.2	54%	0.541	62%	0.623	S	S	.	*			trans	-59.9	125.3	180	-75.6	0	0	0	0	111.2	S209	C207-S209 VanDerWaalsContact C-N 3.26Å; C207-S209 PolarHBondContact O-N 2.88Å
208	P	35.4	Very low	43.1	Very low	91 Å²	91	115.6 Å²	115.6	59%	0.591	63%	0.63	S	S	*	*			trans	-73.2	88.4	158.9	-0.3	16.4	0	0	0	107.6	T206	T206-P208 WeakPolarHBondContact O-CD 3.45Å
209	S	31.9	Very low	44	Very low	100 Å²	100	108.7 Å²	108.7	70%	0.699	59%	0.594	S	S	*	*			trans	-88.6	92.2	162.1	60.8	0	0	0	0	107.5	C207	C207-S209 VanDerWaalsContact C-N 3.26Å; C207-S209 PolarHBondContact O-N 2.88Å
210	K	33.3	Very low	45.3	Very low	195 Å²	195	107.7 Å²	107.7	85%	0.848	60%	0.596	S	S	*	*	S	Bend	trans	-174.5	140.8	155.7	-101.8	153.8	-169.1	-170.6	0	107.7	L212	K210-L212 PolarHBondContact O-N 2.83Å
211	Q	36.7	Very low	47.6	Very low	179 Å²	179	104.5 Å²	104.5	84%	0.836	59%	0.585	S	S	*	*			trans	-20.6	123	169.3	-120.6	164.5	-16.4	0	0	111.3	E213	Q211-E213 PolarHBondContact O-N 2.71Å
212	L	40.2	Very low	49.9	Very low	90 Å²	90	99 Å²	99	47%	0.471	56%	0.558	S	S	.	*			trans	-64.9	84.8	-178.5	-162.7	85.2	0	0	0	109.2	K210 L214 L217 F247	K210-L212 PolarHBondContact O-N 2.83Å; L212-L214 PolarHBondContact O-N 2.63Å; L212-L214 VanDerWaalsContact O-N 3.13Å; L212-L217 HydrophobicContact CD1-CD1 3.85Å; L212-F247 HydrophobicContact CD2-CE1 3.31Å; L212-F247 HydrophobicContact CD2-CZ 3.62Å
213	E	41.1	Very low	53	Low	129 Å²	129	95.1 Å²	95.1	60%	0.603	54%	0.54	S	S	*	.			trans	-67.1	110.4	165.6	-73.8	-171.2	172.4	0	0	106.6	Q211 E215 R216	Q211-E213 PolarHBondContact O-N 2.71Å; E213-E215 PolarHBondContact O-N 3.3Å; E213-R216 PolarHBondContact O-N 3.49Å
214	L	47.2	Very low	56.1	Low	38 Å²	38	95.2 Å²	95.2	20%	0.199	53%	0.526	C	S	.	.	G	3₁₀ helix	trans	-48.7	-23.9	-178.1	-153.3	65.8	0	0	0	113.4	Y191 L212 R216 F247 V254	Y191-L214 PolarHBondContact OH-O 2.7Å; L212-L214 PolarHBondContact O-N 2.63Å; L212-L214 VanDerWaalsContact O-N 3.13Å; L214-R216 VanDerWaalsContact C-N 3.32Å; L214-R216 PolarHBondContact O-N 2.86Å; L214-F247 HydrophobicContact CD1-CB 4.26Å; L214-F247 HydrophobicContact CD1-CD1 3.59Å; L214-F247 HydrophobicContact CD1-CD2 4.13Å; L214-F247 HydrophobicContact CD1-CE1 3.93Å; L214-F247 HydrophobicContact CD1-CE2 4.42Å; L214-F247 HydrophobicContact CD1-CG 3.71Å; L214-F247 HydrophobicContact CD1-CZ 4.34Å; L214-V254 HydrophobicContact CD1-CG1 4.2Å; L214-V254 HydrophobicContact CD2-CG2 4.07Å
215	E	49.3	Very low	59.2	Low	155 Å²	155	93.5 Å²	93.5	72%	0.724	50%	0.503	S	S	*	.	G	3₁₀ helix	trans	-72	-21.7	177.9	-63.4	-169	167.6	0	0	114	E213 K227	E213-E215 PolarHBondContact O-N 3.3Å; E215-K227 PolarHBondContact O-NZ 3.48Å
216	R	55.8	Low	62.1	Low	196 Å²	196	91 Å²	91	74%	0.74	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-130.5	40.6	-174.1	-60.1	-175.3	-177	-178.9	3	113.5	E213 L214 V218	E213-R216 PolarHBondContact O-N 3.49Å; L214-R216 VanDerWaalsContact C-N 3.32Å; L214-R216 PolarHBondContact O-N 2.86Å; R216-V218 PolarHBondContact O-N 3.17Å
217	L	68.9	Low	65.3	Low	15 Å²	15	90.7 Å²	90.7	8%	0.079	47%	0.473	C	S	.	.			trans	-61.6	103.2	166.1	-179.7	69.5	0	0	0	109.1	L28 Y193 L212 L219 V245 F247	L28-L217 HydrophobicContact CD2-CD1 3.74Å; L28-L217 HydrophobicContact CD2-CD2 4.25Å; Y193-L217 HydrophobicContact CE2-CD2 3.99Å; Y193-L217 WeakPolarHBondContact OH-CB 3.5Å; Y193-L217 WeakPolarHBondContact OH-CD2 3.2Å; Y193-L217 WeakPolarHBondContact OH-CG 3.2Å; Y193-L217 PolarHBondContact OH-O 3.31Å; L212-L217 HydrophobicContact CD1-CD1 3.85Å; L217-L219 HydrophobicContact CD1-CD2 4.46Å; L217-V245 HydrophobicContact CD2-CB 4.17Å; L217-V245 HydrophobicContact CD2-CG1 3.87Å; L217-V245 HydrophobicContact CD2-CG2 4.3Å; L217-F247 HydrophobicContact CD1-CZ 4.38Å; L217-F247 HydrophobicContact CD2-CE2 3.62Å; L217-F247 HydrophobicContact CD2-CZ 3.85Å
218	V	74.2	Confident	68.4	Low	108 Å²	108	89.5 Å²	89.5	66%	0.655	47%	0.466	S	S	*	.			trans	-109	113.3	172.9	179.6	0	0	0	0	107.1	R216	R216-V218 PolarHBondContact O-N 3.17Å
219	L	82.6	Confident	71.2	Confident	7 Å²	7	86.2 Å²	86.2	4%	0.037	44%	0.444	C	S	.	.			trans	-87.7	117.9	168.8	-70.9	-176.9	0	0	0	107.8	L24 L28 Y193 L217 G221 W222 V245	L24-L219 HydrophobicContact CD2-CD1 4.47Å; L24-L219 HydrophobicContact CD2-CD2 4.25Å; L28-L219 HydrophobicContact CD2-CD2 4.31Å; Y193-L219 HydrophobicContact CD1-CB 4.34Å; Y193-L219 HydrophobicContact CD1-CD1 4.24Å; Y193-L219 HydrophobicContact CD1-CG 4.48Å; Y193-L219 HydrophobicContact CD2-CD1 3.74Å; Y193-L219 HydrophobicContact CE1-CB 4.32Å; Y193-L219 HydrophobicContact CE1-CD1 4.4Å; Y193-L219 HydrophobicContact CE1-CG 4.27Å; Y193-L219 HydrophobicContact CE2-CD1 3.91Å; Y193-L219 HydrophobicContact CE2-CG 4.33Å; Y193-L219 HydrophobicContact CG-CD1 3.93Å; L217-L219 HydrophobicContact CD1-CD2 4.46Å; L219-G221 PolarHBondContact O-N 2.97Å; L219-W222 HydrophobicContact CB-CB 3.6Å; L219-W222 HydrophobicContact CB-CG 3.9Å; L219-W222 HydrophobicContact CD1-CB 4.44Å; L219-W222 HydrophobicContact CD1-CG 4.31Å; L219-W222 WeakPolarHBondContact O-CB 3.42Å; L219-W222 PolarHBondContact O-N 3.35Å; L219-V245 HydrophobicContact CD1-CG2 3.94Å
220	P	81.8	Confident	74.3	Confident	85 Å²	85	83.2 Å²	83.2	55%	0.552	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	131.6	179.5	-25.6	35.1	0	0	0	112.2	W222	P220-W222 PolarHBondContact O-N 3.36Å
221	G	88.2	Confident	77.3	Confident	44 Å²	44	74.2 Å²	74.2	45%	0.454	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	2.7	-177.5	0	0	0	0	0	115	K195 L219	K195-G221 WeakPolarHBondContact CD-O 3.24Å; K195-G221 VanDerWaalsContact CG-O 3.31Å; K195-G221 WeakPolarHBondContact CG-O 3.19Å; L219-G221 PolarHBondContact O-N 2.97Å
222	W	94.4	Very high	80.2	Confident	33 Å²	33	68.8 Å²	68.8	13%	0.125	36%	0.362	C	S	.	.			trans	-114.5	136.8	178.1	-72.5	90.1	0	0	0	110.3	L24 Y193 K195 L219 P220 E241 C243 L261	L24-W222 HydrophobicContact CD1-CZ2 4.3Å; Y193-W222 HydrophobicContact CD1-CB 4.03Å; Y193-W222 HydrophobicContact CG-CB 4.32Å; K195-W222 HydrophobicContact CB-CD2 3.83Å; K195-W222 HydrophobicContact CB-CE3 3.57Å; K195-W222 HydrophobicContact CB-CG 4.5Å; K195-W222 HydrophobicContact CB-CH2 4.01Å; K195-W222 HydrophobicContact CB-CZ2 4.28Å; K195-W222 HydrophobicContact CB-CZ3 3.66Å; K195-W222 HydrophobicContact CD-CD2 4.38Å; K195-W222 HydrophobicContact CD-CZ2 4.26Å; L219-W222 HydrophobicContact CB-CB 3.6Å; L219-W222 HydrophobicContact CB-CG 3.9Å; L219-W222 HydrophobicContact CD1-CB 4.44Å; L219-W222 HydrophobicContact CD1-CG 4.31Å; L219-W222 WeakPolarHBondContact O-CB 3.42Å; L219-W222 PolarHBondContact O-N 3.35Å; P220-W222 PolarHBondContact O-N 3.36Å; W222-E241 HydrophobicContact CH2-CB 4.11Å; W222-E241 HydrophobicContact CZ3-CB 4.36Å; W222-C243 HydrophobicContact CD2-CB 4.17Å; W222-C243 HydrophobicContact CE3-CB 3.67Å; W222-C243 HydrophobicContact CH2-CB 3.68Å; W222-C243 HydrophobicContact CZ2-CB 4.13Å; W222-C243 HydrophobicContact CZ3-CB 3.41Å; W222-C243 VanDerWaalsContact CZ3-CB 3.41Å; W222-L261 HydrophobicContact CH2-CD2 3.55Å; W222-L261 HydrophobicContact CZ2-CD2 3.71Å; W222-L261 HydrophobicContact CZ3-CD2 4.49Å
223	T	95.4	Very high	83	Confident	74 Å²	74	64.6 Å²	64.6	45%	0.454	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	121.2	178.4	-54.5	0	0	0	0	110.4	Y193 V194 R225	Y193-T223 CarbonylContact C-O 3.58Å; Y193-T223 VanDerWaalsContact CA-O 3.27Å; Y193-T223 WeakPolarHBondContact CA-O 3.33Å; V194-T223 PolarHBondContact N-O 3.36Å; V194-T223 PolarHBondContact O-N 3.23Å; T223-R225 PolarHBondContact O-N 2.99Å
224	L	96.2	Very high	85.7	Confident	64 Å²	64	64.7 Å²	64.7	34%	0.335	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	129.7	176	-178.2	68.3	0	0	0	110.8	Y191 Y193 K227	Y191-L224 HydrophobicContact CD1-CD1 4.01Å; Y193-L224 HydrophobicContact CD1-CB 3.93Å; Y193-L224 HydrophobicContact CD1-CD1 4.18Å; Y193-L224 HydrophobicContact CD2-CD1 4.37Å; Y193-L224 HydrophobicContact CE1-CB 3.71Å; Y193-L224 HydrophobicContact CE1-CD1 3.77Å; Y193-L224 HydrophobicContact CE1-CG 4.29Å; Y193-L224 HydrophobicContact CE2-CD1 3.99Å; Y193-L224 HydrophobicContact CG-CD1 4.44Å; L224-K227 HydrophobicContact CD1-CG 4.48Å; L224-K227 HydrophobicContact CD2-CD 4.34Å; L224-K227 VanDerWaalsContact CD2-CE 3.45Å; L224-K227 HydrophobicContact CD2-CG 3.99Å
225	R	96.3	Very high	88.1	Confident	76 Å²	76	68.6 Å²	68.6	29%	0.287	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	-37.4	178.1	-69	-55.2	-168.6	-136.8	8	114.6	W192 V194 T223 F231 E236 D237	W192-R225 PolarHBondContact O-N 3.36Å; V194-R225 HydrophobicContact CB-CG 4.26Å; V194-R225 HydrophobicContact CG1-CG 3.65Å; V194-R225 HydrophobicContact CG2-CG 3.68Å; V194-R225 VanDerWaalsContact CG2-NE 3.31Å; T223-R225 PolarHBondContact O-N 2.99Å; R225-F231 HydrophobicContact CB-CE2 3.71Å; R225-F231 HydrophobicContact CB-CZ 4.23Å; R225-F231 HydrophobicContact CG-CE2 4.4Å; R225-E236 IonicContact CZ-OE1 3.7Å; R225-E236 IonicContact NH2-OE1 3.54Å; R225-D237 IonicContact CZ-OD1 3.5Å; R225-D237 IonicContact NE-OD1 3.48Å; R225-D237 PolarHBondContact NE-OD1 3.37Å; R225-D237 IonicContact NH2-OD1 2.7Å; R225-D237 PolarHBondContact NH2-OD1 2.89Å; R225-D237 VanDerWaalsContact NH2-OD1 3.13Å
226	S	96.3	Very high	90.3	Very high	25 Å²	25	66.5 Å²	66.5	18%	0.175	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	143.6	-176.3	-176.9	0	0	0	0	111.3	Y191 W192 S228	Y191-S226 CarbonylContact C-O 3.53Å; Y191-S226 WeakPolarHBondContact CA-O 3.5Å; W192-S226 PolarHBondContact N-O 2.81Å; W192-S226 PolarHBondContact O-N 2.83Å; S226-S228 WeakPolarHBondContact OG-CB 3.47Å; S226-S228 PolarHBondContact OG-N 2.89Å
227	K	95.7	Very high	92.3	Very high	120 Å²	120	57.2 Å²	57.2	52%	0.522	31%	0.311	S	S	.	.	S	Bend	trans	-112	42.3	168.7	-61.9	-172.3	179	-174.5	0	110.4	F190 Y191 E215 L224	F190-K227 CarbonylContact O-C 3.46Å; F190-K227 WeakPolarHBondContact O-CA 3.3Å; Y191-K227 HydrophobicContact CD1-CD 4.31Å; Y191-K227 HydrophobicContact CD1-CG 3.85Å; Y191-K227 HydrophobicContact CE1-CD 3.88Å; Y191-K227 HydrophobicContact CE1-CG 3.91Å; E215-K227 PolarHBondContact O-NZ 3.48Å; L224-K227 HydrophobicContact CD1-CG 4.48Å; L224-K227 HydrophobicContact CD2-CD 4.34Å; L224-K227 VanDerWaalsContact CD2-CE 3.45Å; L224-K227 HydrophobicContact CD2-CG 3.99Å
228	S	95.3	Very high	93.7	Very high	56 Å²	56	58.6 Å²	58.6	39%	0.392	32%	0.32	S	S	.	.	S	Bend	trans	-130	152.5	-176.5	177.1	0	0	0	0	110.2	F190 W192 S226 V230	F190-S228 WeakPolarHBondContact CB-O 3.46Å; F190-S228 PolarHBondContact O-N 3.02Å; W192-S228 PolarHBondContact NE1-O 2.81Å; S226-S228 WeakPolarHBondContact OG-CB 3.47Å; S226-S228 PolarHBondContact OG-N 2.89Å; S228-V230 WeakPolarHBondContact CB-O 3.37Å; S228-V230 PolarHBondContact O-N 2.92Å; S228-V230 PolarHBondContact OG-N 3.33Å; S228-V230 PolarHBondContact OG-O 2.88Å
229	C	95.3	Very high	94.8	Very high	21 Å²	21	55 Å²	55	14%	0.142	30%	0.304	C	S	.	.	S	Bend	trans	-59.4	-37.4	171.4	-168.5	0	0	0	0	111.1	Y175 P176 F190	Y175-C229 HydrophobicContact CE2-CB 4.43Å; Y175-C229 WeakPolarHBondContact CE2-SG 3.28Å; P176-C229 VanDerWaalsContact CD-O 3.24Å; P176-C229 WeakPolarHBondContact CD-O 3.41Å; F190-C229 HydrophobicContact CD2-CB 3.64Å; F190-C229 HydrophobicContact CE2-CB 4.03Å; F190-C229 HydrophobicContact CG-CB 4.23Å
230	V	95.4	Very high	95.5	Very high	38 Å²	38	56 Å²	56	23%	0.23	31%	0.308	C	S	.	.	S	Bend	trans	-92.1	134.4	175.7	-177.9	0	0	0	0	110.3	G174 Y175 S228 V232	G174-V230 WeakPolarHBondContact O-CA 3.48Å; Y175-V230 HydrophobicContact CD2-CG2 3.98Å; Y175-V230 HydrophobicContact CE2-CG2 4.46Å; S228-V230 WeakPolarHBondContact CB-O 3.37Å; S228-V230 PolarHBondContact O-N 2.92Å; S228-V230 PolarHBondContact OG-N 3.33Å; S228-V230 PolarHBondContact OG-O 2.88Å; V230-V232 HydrophobicContact CG1-CG2 4.47Å
231	F	97.3	Very high	96.1	Very high	5 Å²	5	54.7 Å²	54.7	2%	0.022	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-122.2	128.8	174.8	174.1	-131.2	0	0	0	111.3	L168 G174 W192 V194 R225 P233 V242	L168-F231 HydrophobicContact CD1-CD1 4.24Å; L168-F231 HydrophobicContact CD1-CE1 4.24Å; L168-F231 HydrophobicContact CD2-CD1 4.31Å; G174-F231 PolarHBondContact N-O 3.3Å; G174-F231 PolarHBondContact O-N 3.36Å; W192-F231 HydrophobicContact CB-CB 4.29Å; W192-F231 HydrophobicContact CB-CD1 4.27Å; W192-F231 HydrophobicContact CB-CD2 4.04Å; W192-F231 HydrophobicContact CB-CE2 4.48Å; W192-F231 HydrophobicContact CB-CG 3.95Å; W192-F231 HydrophobicContact CD2-CB 3.33Å; W192-F231 AromaticContact CD2-CD1 3.77Å; W192-F231 HydrophobicContact CD2-CD1 3.77Å; W192-F231 AromaticContact CD2-CG 3.67Å; W192-F231 HydrophobicContact CD2-CG 3.67Å; W192-F231 HydrophobicContact CE3-CB 3.85Å; W192-F231 AromaticContact CE3-CD1 3.45Å; W192-F231 HydrophobicContact CE3-CD1 3.45Å; W192-F231 VanDerWaalsContact CE3-CD1 3.45Å; W192-F231 HydrophobicContact CE3-CE1 4.28Å; W192-F231 AromaticContact CE3-CG 3.88Å; W192-F231 HydrophobicContact CE3-CG 3.88Å; W192-F231 HydrophobicContact CG-CB 3.55Å; W192-F231 HydrophobicContact CG-CD1 4.16Å; W192-F231 HydrophobicContact CG-CD2 4.21Å; W192-F231 AromaticContact CG-CG 3.72Å; W192-F231 HydrophobicContact CG-CG 3.72Å; W192-F231 HydrophobicContact CH2-CB 4.3Å; W192-F231 HydrophobicContact CZ2-CB 3.86Å; W192-F231 HydrophobicContact CZ3-CB 4.31Å; W192-F231 AromaticContact CZ3-CD1 3.98Å; W192-F231 HydrophobicContact CZ3-CD1 3.98Å; V194-F231 HydrophobicContact CG1-CZ 4.32Å; R225-F231 HydrophobicContact CB-CE2 3.71Å; R225-F231 HydrophobicContact CB-CZ 4.23Å; R225-F231 HydrophobicContact CG-CE2 4.4Å; F231-P233 HydrophobicContact CD1-CG 4.2Å; F231-P233 HydrophobicContact CE1-CB 4.3Å; F231-P233 HydrophobicContact CE1-CG 3.75Å; F231-P233 HydrophobicContact CZ-CB 4.14Å; F231-P233 HydrophobicContact CZ-CG 4.06Å; F231-V242 HydrophobicContact CD1-CG1 4.35Å; F231-V242 HydrophobicContact CE1-CG1 3.92Å; F231-V242 HydrophobicContact CE1-CG2 4.4Å
232	V	97.6	Very high	96.5	Very high	66 Å²	66	52.7 Å²	52.7	40%	0.4	27%	0.274	S	S	.	.			trans	-116.9	106.5	174.6	-176.3	0	0	0	0	107.6	V230	V230-V232 HydrophobicContact CG1-CG2 4.47Å
233	P	98.1	Very high	96.7	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.013	27%	0.268	C	S	.	.			trans	-62	147.8	177.3	-18.7	29.9	0	0	0	112.1	L168 V170 G171 L172 F231 D237 V266	L168-P233 HydrophobicContact CB-CG 4.04Å; V170-P233 WeakPolarHBondContact CA-O 3.32Å; G171-P233 PolarHBondContact N-O 2.92Å; L172-P233 VanDerWaalsContact O-CD 3.28Å; L172-P233 WeakPolarHBondContact O-CD 3.26Å; F231-P233 HydrophobicContact CD1-CG 4.2Å; F231-P233 HydrophobicContact CE1-CB 4.3Å; F231-P233 HydrophobicContact CE1-CG 3.75Å; F231-P233 HydrophobicContact CZ-CB 4.14Å; F231-P233 HydrophobicContact CZ-CG 4.06Å; P233-D237 HydrophobicContact CB-CB 4.38Å; P233-V266 HydrophobicContact CB-CB 4.45Å; P233-V266 HydrophobicContact CB-CG1 3.48Å; P233-V266 VanDerWaalsContact CB-CG1 3.48Å; P233-V266 HydrophobicContact CB-CG2 4.07Å; P233-V266 HydrophobicContact CG-CG1 4.12Å; P233-V266 HydrophobicContact CG-CG2 4.32Å
234	K	97.7	Very high	96.8	Very high	131 Å²	131	47.6 Å²	47.6	57%	0.57	25%	0.246	S	C	*	.			trans	-105.4	168.6	176.3	-63.1	178.8	-176.5	175.3	0	111.1	V170 E236 D237	V170-K234 WeakPolarHBondContact CG2-O 3.32Å; K234-E236 HydrophobicContact CB-CG 4.04Å; K234-E236 PolarHBondContact O-N 3.38Å; K234-D237 PolarHBondContact N-OD2 3.49Å; K234-D237 WeakPolarHBondContact O-CA 3.37Å; K234-D237 VanDerWaalsContact O-CB 3.3Å; K234-D237 WeakPolarHBondContact O-CB 3.2Å; K234-D237 PolarHBondContact O-N 2.91Å
235	E	97.6	Very high	96.8	Very high	120 Å²	120	44.5 Å²	44.5	56%	0.561	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-54.7	-37.3	177.5	-165	61.9	-160.1	0	0	112.8	D237 V238 H268	E235-D237 PolarHBondContact O-N 3.01Å; E235-V238 WeakPolarHBondContact O-CG2 3.4Å; E235-V238 PolarHBondContact O-N 3.38Å; E235-H268 IonicContact OE1-CE1 2.83Å; E235-H268 PolarHBondContact OE1-CE1 3.34Å; E235-H268 VanDerWaalsContact OE1-CE1 3.25Å; E235-H268 IonicContact OE1-ND1 2.61Å
236	E	97	Very high	96.9	Very high	110 Å²	110	40.9 Å²	40.9	51%	0.514	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-69.1	-8.3	176.4	65.6	178.1	-162.4	0	0	114.6	R225 K234 K240	R225-E236 IonicContact CZ-OE1 3.7Å; R225-E236 IonicContact NH2-OE1 3.54Å; K234-E236 HydrophobicContact CB-CG 4.04Å; K234-E236 PolarHBondContact O-N 3.38Å; E236-K240 WeakPolarHBondContact O-CE 3.38Å; E236-K240 PolarHBondContact O-NZ 3.35Å
237	D	97.6	Very high	96.9	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.011	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-95.9	-11.4	179.4	-59.8	-41.1	0	0	0	112.7	R225 P233 K234 E235 G239 K240 V266	R225-D237 IonicContact CZ-OD1 3.5Å; R225-D237 IonicContact NE-OD1 3.48Å; R225-D237 PolarHBondContact NE-OD1 3.37Å; R225-D237 IonicContact NH2-OD1 2.7Å; R225-D237 PolarHBondContact NH2-OD1 2.89Å; R225-D237 VanDerWaalsContact NH2-OD1 3.13Å; P233-D237 HydrophobicContact CB-CB 4.38Å; K234-D237 PolarHBondContact N-OD2 3.49Å; K234-D237 WeakPolarHBondContact O-CA 3.37Å; K234-D237 VanDerWaalsContact O-CB 3.3Å; K234-D237 WeakPolarHBondContact O-CB 3.2Å; K234-D237 PolarHBondContact O-N 2.91Å; E235-D237 PolarHBondContact O-N 3.01Å; D237-G239 PolarHBondContact O-N 3.34Å; D237-K240 WeakPolarHBondContact O-CB 3.41Å; D237-K240 VanDerWaalsContact O-CG 3.31Å; D237-K240 WeakPolarHBondContact O-CG 3.42Å; D237-K240 PolarHBondContact O-N 3.3Å; D237-V266 HydrophobicContact CB-CB 4.42Å; D237-V266 HydrophobicContact CB-CG1 4.29Å; D237-V266 HydrophobicContact CB-CG2 4.11Å; D237-V266 VanDerWaalsContact O-CB 3.28Å; D237-V266 WeakPolarHBondContact O-CB 3.27Å
238	V	97.8	Very high	96.9	Very high	44 Å²	44	34.1 Å²	34.1	27%	0.267	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	133.7	-179.4	174.6	0	0	0	0	111.1	V170 E235 K240	V170-V238 HydrophobicContact CG2-CG2 3.31Å; E235-V238 WeakPolarHBondContact O-CG2 3.4Å; E235-V238 PolarHBondContact O-N 3.38Å; V238-K240 PolarHBondContact O-N 3.05Å
239	G	96.5	Very high	96.8	Very high	32 Å²	32	33.3 Å²	33.3	33%	0.33	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	-4.3	-179	0	0	0	0	0	114.6	D237 V266	D237-G239 PolarHBondContact O-N 3.34Å; G239-V266 PolarHBondContact N-O 2.97Å
240	K	97.1	Very high	96.3	Very high	28 Å²	28	33 Å²	33	12%	0.122	18%	0.175	C	C	.	.			trans	-88	144.5	-179.8	-56.9	-173	-170.5	-171.1	0	112.2	V194 K195 E196 E236 D237 V238 P265 V266	V194-K240 HydrophobicContact CB-CB 4.04Å; V194-K240 HydrophobicContact CB-CD 4.27Å; V194-K240 HydrophobicContact CG2-CD 3.95Å; K195-K240 CarbonylContact O-C 3.56Å; K195-K240 WeakPolarHBondContact O-CA 3.45Å; K195-K240 WeakPolarHBondContact O-CB 3.46Å; E196-K240 VanDerWaalsContact CD-CE 3.47Å; E196-K240 WeakPolarHBondContact OE1-CE 3.47Å; E196-K240 IonicContact OE1-NZ 3.24Å; E196-K240 PolarHBondContact OE1-NZ 2.92Å; E236-K240 WeakPolarHBondContact O-CE 3.38Å; E236-K240 PolarHBondContact O-NZ 3.35Å; D237-K240 WeakPolarHBondContact O-CB 3.41Å; D237-K240 VanDerWaalsContact O-CG 3.31Å; D237-K240 WeakPolarHBondContact O-CG 3.42Å; D237-K240 PolarHBondContact O-N 3.3Å; V238-K240 PolarHBondContact O-N 3.05Å; K240-P265 CarbonylContact O-C 3.49Å; K240-P265 WeakPolarHBondContact O-CA 3.42Å; K240-P265 WeakPolarHBondContact O-CB 3.13Å; K240-V266 PolarHBondContact O-N 3.48Å
241	E	95.5	Very high	95.7	Very high	58 Å²	58	37.6 Å²	37.6	27%	0.271	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	149.7	170	-60	-171.7	111.5	0	0	110.3	V194 K195 M197 W222	V194-E241 CarbonylContact C-O 3.57Å; V194-E241 WeakPolarHBondContact CA-O 3.4Å; K195-E241 PolarHBondContact N-O 3.44Å; K195-E241 PolarHBondContact O-N 3.05Å; M197-E241 HydrophobicContact CE-CG 4.07Å; M197-E241 HydrophobicContact CG-CG 3.74Å; W222-E241 HydrophobicContact CH2-CB 4.11Å; W222-E241 HydrophobicContact CZ3-CB 4.36Å
242	V	97	Very high	94.9	Very high	1 Å²	1	41 Å²	41	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	128.1	-178.7	-171	0	0	0	0	111.1	L168 W192 Y193 V194 F231 C262 V266	L168-V242 HydrophobicContact CD1-CB 3.66Å; L168-V242 HydrophobicContact CD1-CG1 3.62Å; L168-V242 HydrophobicContact CD1-CG2 3.63Å; W192-V242 HydrophobicContact CE3-CG1 3.75Å; W192-V242 HydrophobicContact CZ3-CG1 4.22Å; Y193-V242 CarbonylContact O-C 3.55Å; Y193-V242 WeakPolarHBondContact O-CA 3.49Å; V194-V242 HydrophobicContact CG1-CG2 4.23Å; F231-V242 HydrophobicContact CD1-CG1 4.35Å; F231-V242 HydrophobicContact CE1-CG1 3.92Å; F231-V242 HydrophobicContact CE1-CG2 4.4Å; V242-C262 HydrophobicContact CB-CB 4.18Å; V242-C262 PolarHBondContact O-N 3.45Å; V242-V266 HydrophobicContact CG2-CG2 3.49Å; V242-V266 VanDerWaalsContact CG2-CG2 3.49Å
243	C	97.2	Very high	94.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	121.3	172.9	-178.4	0	0	0	0	109.8	Y193 W222 L261	Y193-C243 PolarHBondContact N-O 2.87Å; Y193-C243 PolarHBondContact O-N 3.36Å; W222-C243 HydrophobicContact CD2-CB 4.17Å; W222-C243 HydrophobicContact CE3-CB 3.67Å; W222-C243 HydrophobicContact CH2-CB 3.68Å; W222-C243 HydrophobicContact CZ2-CB 4.13Å; W222-C243 HydrophobicContact CZ3-CB 3.41Å; W222-C243 VanDerWaalsContact CZ3-CB 3.41Å; C243-L261 HydrophobicContact CB-CD2 3.53Å
244	L	98	Very high	93.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	126.9	169.1	172.2	62.2	0	0	0	109.3	L162 V164 P176 F190 W192 A259 Y260	L162-L244 HydrophobicContact CD1-CD2 3.77Å; L162-L244 HydrophobicContact CG-CD2 4.31Å; V164-L244 HydrophobicContact CG2-CB 4.47Å; V164-L244 HydrophobicContact CG2-CD2 3.79Å; P176-L244 HydrophobicContact CB-CD2 3.54Å; P176-L244 HydrophobicContact CG-CD2 4.38Å; F190-L244 HydrophobicContact CB-CD1 4.33Å; F190-L244 HydrophobicContact CD1-CD1 4.05Å; W192-L244 HydrophobicContact CD2-CD1 3.76Å; W192-L244 HydrophobicContact CE3-CB 4.12Å; W192-L244 HydrophobicContact CE3-CD1 4.2Å; W192-L244 HydrophobicContact CG-CD1 4.23Å; W192-L244 HydrophobicContact CH2-CB 4.47Å; W192-L244 HydrophobicContact CH2-CD1 4.29Å; W192-L244 HydrophobicContact CH2-CD2 4.13Å; W192-L244 HydrophobicContact CZ2-CD1 3.83Å; W192-L244 HydrophobicContact CZ2-CD2 4.21Å; W192-L244 HydrophobicContact CZ2-CG 4.5Å; W192-L244 HydrophobicContact CZ3-CB 4.1Å; W192-L244 HydrophobicContact CZ3-CD1 4.45Å; L244-A259 CarbonylContact O-C 3.2Å; L244-A259 VanDerWaalsContact O-CA 3.24Å; L244-A259 WeakPolarHBondContact O-CA 3.15Å; L244-Y260 PolarHBondContact N-O 3.24Å; L244-Y260 PolarHBondContact O-N 2.62Å
245	V	97.4	Very high	93.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	127.8	168.8	-174	0	0	0	0	109.6	L28 F190 Y191 Y193 L217 L219 F247 R258 A259	L28-V245 HydrophobicContact CD1-CG1 3.91Å; L28-V245 HydrophobicContact CD1-CG2 4.45Å; L28-V245 HydrophobicContact CD2-CG1 4.15Å; F190-V245 WeakPolarHBondContact CA-O 3.39Å; Y191-V245 PolarHBondContact N-O 3.04Å; Y191-V245 PolarHBondContact O-N 3.4Å; Y193-V245 HydrophobicContact CD2-CG2 4.13Å; Y193-V245 HydrophobicContact CE2-CB 4.38Å; Y193-V245 HydrophobicContact CE2-CG2 3.96Å; L217-V245 HydrophobicContact CD2-CB 4.17Å; L217-V245 HydrophobicContact CD2-CG1 3.87Å; L217-V245 HydrophobicContact CD2-CG2 4.3Å; L219-V245 HydrophobicContact CD1-CG2 3.94Å; V245-F247 HydrophobicContact CG1-CD2 4.23Å; V245-F247 HydrophobicContact CG1-CE2 3.65Å; V245-F247 HydrophobicContact CG1-CZ 4.22Å; V245-R258 WeakPolarHBondContact CA-O 3.27Å; V245-A259 HydrophobicContact CG2-CB 4.18Å
246	C	97.5	Very high	93.3	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.5	176.4	-177.1	0	0	0	0	110.6	I159 L162 Q189 F190 P257 R258	I159-C246 HydrophobicContact CD1-CB 4.49Å; I159-C246 WeakPolarHBondContact CD1-SG 3.31Å; I159-C246 HydrophobicContact CG1-CB 4.33Å; L162-C246 HydrophobicContact CD1-CB 4.03Å; L162-C246 HydrophobicContact CD2-CB 3.95Å; Q189-C246 CarbonylContact O-C 3.55Å; Q189-C246 VanDerWaalsContact O-CA 3.32Å; Q189-C246 WeakPolarHBondContact O-CA 3.37Å; F190-C246 HydrophobicContact CD1-CB 4.07Å; F190-C246 HydrophobicContact CE1-CB 3.9Å; F190-C246 WeakPolarHBondContact CE1-SG 3.31Å; C246-P257 VanDerWaalsContact O-CA 3.3Å; C246-P257 WeakPolarHBondContact O-CA 3.47Å; C246-R258 PolarHBondContact N-O 2.61Å; C246-R258 PolarHBondContact O-N 3.03Å
247	F	95.6	Very high	93.1	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.009	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	113.4	169	-71.8	-93.5	0	0	0	109.1	C188 Q189 Y191 L212 L214 L217 V245 V254 P257	C188-F247 CarbonylContact C-O 3.58Å; C188-F247 VanDerWaalsContact CA-O 3.3Å; C188-F247 WeakPolarHBondContact CA-O 3.31Å; Q189-F247 HydrophobicContact CB-CB 4.31Å; Q189-F247 PolarHBondContact N-O 3.31Å; Q189-F247 PolarHBondContact O-N 3.4Å; Y191-F247 AromaticContact CD2-CD2 3.8Å; Y191-F247 HydrophobicContact CD2-CD2 3.8Å; Y191-F247 AromaticContact CD2-CE2 3.95Å; Y191-F247 HydrophobicContact CD2-CE2 3.95Å; Y191-F247 AromaticContact CE2-CD2 3.64Å; Y191-F247 HydrophobicContact CE2-CD2 3.64Å; Y191-F247 AromaticContact CE2-CE2 3.95Å; Y191-F247 HydrophobicContact CE2-CE2 3.95Å; L212-F247 HydrophobicContact CD2-CE1 3.31Å; L212-F247 HydrophobicContact CD2-CZ 3.62Å; L214-F247 HydrophobicContact CD1-CB 4.26Å; L214-F247 HydrophobicContact CD1-CD1 3.59Å; L214-F247 HydrophobicContact CD1-CD2 4.13Å; L214-F247 HydrophobicContact CD1-CE1 3.93Å; L214-F247 HydrophobicContact CD1-CE2 4.42Å; L214-F247 HydrophobicContact CD1-CG 3.71Å; L214-F247 HydrophobicContact CD1-CZ 4.34Å; L217-F247 HydrophobicContact CD1-CZ 4.38Å; L217-F247 HydrophobicContact CD2-CE2 3.62Å; L217-F247 HydrophobicContact CD2-CZ 3.85Å; V245-F247 HydrophobicContact CG1-CD2 4.23Å; V245-F247 HydrophobicContact CG1-CE2 3.65Å; V245-F247 HydrophobicContact CG1-CZ 4.22Å; F247-V254 HydrophobicContact CB-CG1 4.39Å; F247-V254 HydrophobicContact CD1-CG1 3.91Å; F247-P257 HydrophobicContact CD1-CB 3.71Å; F247-P257 HydrophobicContact CD1-CG 4.28Å; F247-P257 HydrophobicContact CE1-CB 3.46Å; F247-P257 VanDerWaalsContact CE1-CB 3.46Å; F247-P257 HydrophobicContact CE1-CG 3.81Å; F247-P257 HydrophobicContact CE2-CB 4.46Å; F247-P257 HydrophobicContact CG-CB 4.3Å; F247-P257 HydrophobicContact CZ-CB 3.86Å; F247-P257 HydrophobicContact CZ-CG 4.45Å
248	P	95.9	Very high	93	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	145.2	171.2	31.2	-31.4	0	0	0	109.4	P157 I159 V180 G255 L256	P157-P248 HydrophobicContact CB-CB 3.84Å; P157-P248 HydrophobicContact CB-CG 4.22Å; P157-P248 WeakPolarHBondContact O-CG 3.32Å; I159-P248 HydrophobicContact CD1-CB 3.73Å; I159-P248 HydrophobicContact CD1-CG 4.24Å; I159-P248 HydrophobicContact CG1-CB 3.95Å; I159-P248 HydrophobicContact CG1-CG 3.87Å; V180-P248 HydrophobicContact CG2-CB 3.71Å; P248-G255 PolarHBondContact O-N 3.3Å; P248-L256 WeakPolarHBondContact CD-O 2.83Å; P248-L256 VanDerWaalsContact CG-O 3.23Å; P248-L256 WeakPolarHBondContact CG-O 3.38Å
249	N	92.7	Very high	93	Very high	39 Å²	39	25.9 Å²	25.9	21%	0.209	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	158.3	175.3	-161.4	1.1	0	0	0	109.6	G183 S184 D187 G253	G183-N249 CarbonylContact C-O 3.47Å; G183-N249 WeakPolarHBondContact CA-O 3.48Å; S184-N249 PolarHBondContact N-O 2.96Å; D187-N249 HydrophobicContact CB-CB 3.83Å; D187-N249 WeakPolarHBondContact O-CB 3.13Å; N249-G253 PolarHBondContact OD1-O 3.26Å
250	G	85.5	Confident	93	Very high	14 Å²	14	26.3 Å²	26.3	14%	0.144	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.2	-168.5	179.9	0	0	0	0	0	111.4	A252 G253	G250-A252 PolarHBondContact O-N 3.4Å; G250-A252 VanDerWaalsContact O-N 3.16Å; G250-G253 PolarHBondContact N-O 3.19Å; G250-G253 PolarHBondContact O-N 2.98Å
251	S	82.8	Confident	93	Very high	136 Å²	136	25.3 Å²	25.3	95%	0.951	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-28.5	-179.8	53.5	0	0	0	0	113.8	G253	S251-G253 VanDerWaalsContact C-N 3.27Å; S251-G253 PolarHBondContact O-N 3.2Å
252	A	80.7	Confident	93	Very high	77 Å²	77	23.3 Å²	23.3	64%	0.636	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	1.7	176.1	0	0	0	0	0	114	G250	G250-A252 PolarHBondContact O-N 3.4Å; G250-A252 VanDerWaalsContact O-N 3.16Å
253	G	85.7	Confident	92.7	Very high	28 Å²	28	25.8 Å²	25.8	29%	0.289	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	93.9	-160.7	-177.1	0	0	0	0	0	113.6	P157 N249 G250 S251 G255	P157-G253 WeakPolarHBondContact CG-O 3.21Å; N249-G253 PolarHBondContact OD1-O 3.26Å; G250-G253 PolarHBondContact N-O 3.19Å; G250-G253 PolarHBondContact O-N 2.98Å; S251-G253 VanDerWaalsContact C-N 3.27Å; S251-G253 PolarHBondContact O-N 3.2Å; G253-G255 PolarHBondContact O-N 2.9Å
254	V	87.6	Confident	92.4	Very high	75 Å²	75	30.8 Å²	30.8	46%	0.455	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	128.7	-179.1	-177.6	0	0	0	0	110.2	L214 F247	L214-V254 HydrophobicContact CD1-CG1 4.2Å; L214-V254 HydrophobicContact CD2-CG2 4.07Å; F247-V254 HydrophobicContact CB-CG1 4.39Å; F247-V254 HydrophobicContact CD1-CG1 3.91Å
255	G	91.8	Very high	92.3	Very high	6 Å²	6	33 Å²	33	6%	0.062	22%	0.215	C	C	.	.			trans	-97.4	-157.7	-178	0	0	0	0	0	114.5	M156 P157 P248 G253 P257	M156-G255 VanDerWaalsContact CE-C 3.48Å; P157-G255 CarbonylContact O-C 3.51Å; P157-G255 WeakPolarHBondContact O-CA 3.43Å; P248-G255 PolarHBondContact O-N 3.3Å; G253-G255 PolarHBondContact O-N 2.9Å; G255-P257 VanDerWaalsContact O-CD 3.23Å; G255-P257 WeakPolarHBondContact O-CD 3.31Å
256	L	92.2	Very high	92.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-77.4	112	-172.3	-172.3	71.3	0	0	0	111	L29 Y35 L37 L46 M156 P157 T158 P248	L29-L256 HydrophobicContact CD2-CD1 3.32Å; L29-L256 HydrophobicContact CD2-CG 4.24Å; Y35-L256 HydrophobicContact CD1-CD1 4.11Å; Y35-L256 HydrophobicContact CD2-CD1 3.93Å; Y35-L256 HydrophobicContact CE1-CD1 3.91Å; Y35-L256 HydrophobicContact CE2-CD1 3.78Å; Y35-L256 HydrophobicContact CG-CD1 4.05Å; L37-L256 HydrophobicContact CD1-CD2 4.33Å; L46-L256 HydrophobicContact CD1-CD2 3.63Å; M156-L256 HydrophobicContact CE-CB 3.93Å; M156-L256 VanDerWaalsContact CE-N 3.3Å; M156-L256 HydrophobicContact SD-CB 4.08Å; P157-L256 PolarHBondContact O-N 3.24Å; T158-L256 HydrophobicContact CG2-CB 4.4Å; T158-L256 HydrophobicContact CG2-CD2 4.16Å; P248-L256 WeakPolarHBondContact CD-O 2.83Å; P248-L256 VanDerWaalsContact CG-O 3.23Å; P248-L256 WeakPolarHBondContact CG-O 3.38Å
257	P	93.5	Very high	92.3	Very high	8 Å²	8	34.4 Å²	34.4	5%	0.052	23%	0.23	C	C	.	.			trans	-65	148.5	176.9	25.2	-33.5	0	0	0	112.4	L28 C246 F247 G255	L28-P257 HydrophobicContact CB-CB 4.35Å; L28-P257 HydrophobicContact CB-CG 3.93Å; L28-P257 HydrophobicContact CD1-CB 4.44Å; L28-P257 WeakPolarHBondContact O-CG 3.46Å; C246-P257 VanDerWaalsContact O-CA 3.3Å; C246-P257 WeakPolarHBondContact O-CA 3.47Å; F247-P257 HydrophobicContact CD1-CB 3.71Å; F247-P257 HydrophobicContact CD1-CG 4.28Å; F247-P257 HydrophobicContact CE1-CB 3.46Å; F247-P257 VanDerWaalsContact CE1-CB 3.46Å; F247-P257 HydrophobicContact CE1-CG 3.81Å; F247-P257 HydrophobicContact CE2-CB 4.46Å; F247-P257 HydrophobicContact CG-CB 4.3Å; F247-P257 HydrophobicContact CZ-CB 3.86Å; F247-P257 HydrophobicContact CZ-CG 4.45Å; G255-P257 VanDerWaalsContact O-CD 3.23Å; G255-P257 WeakPolarHBondContact O-CD 3.31Å
258	R	96	Very high	92.3	Very high	35 Å²	35	39.7 Å²	39.7	13%	0.132	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	136.3	169.3	-77.7	-61.6	-176.3	-166.7	-7.9	111.8	N25 E57 I159 L162 V245 C246	N25-R258 WeakPolarHBondContact OD1-CA 3.36Å; N25-R258 WeakPolarHBondContact OD1-CD 3.37Å; E57-R258 IonicContact OE1-CZ 3.25Å; E57-R258 IonicContact OE1-NH1 3.68Å; E57-R258 PolarHBondContact OE1-NH1 2.92Å; E57-R258 IonicContact OE1-NH2 3.75Å; E57-R258 PolarHBondContact OE1-NH2 3.47Å; E57-R258 IonicContact OE2-CZ 3.82Å; E57-R258 IonicContact OE2-NH1 3.36Å; E57-R258 PolarHBondContact OE2-NH1 3.48Å; E57-R258 IonicContact OE2-NH2 3.72Å; E57-R258 PolarHBondContact OE2-NH2 3.28Å; I159-R258 HydrophobicContact CB-CB 4.09Å; I159-R258 HydrophobicContact CB-CG 4.01Å; I159-R258 HydrophobicContact CG2-CB 4.19Å; I159-R258 HydrophobicContact CG2-CG 4.4Å; L162-R258 HydrophobicContact CD2-CB 4.04Å; L162-R258 VanDerWaalsContact CD2-O 3.24Å; L162-R258 WeakPolarHBondContact CD2-O 3.42Å; V245-R258 WeakPolarHBondContact CA-O 3.27Å; C246-R258 PolarHBondContact N-O 2.61Å; C246-R258 PolarHBondContact O-N 3.03Å
259	A	96.6	Very high	92.1	Very high	5 Å²	5	40.9 Å²	40.9	4%	0.041	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	144.5	170.6	0	0	0	0	0	111.3	L24 N25 L28 L244 V245	L24-A259 HydrophobicContact CB-CB 4.17Å; N25-A259 PolarHBondContact ND2-O 2.86Å; N25-A259 PolarHBondContact OD1-N 2.93Å; L28-A259 HydrophobicContact CD1-CB 3.7Å; L244-A259 CarbonylContact O-C 3.2Å; L244-A259 VanDerWaalsContact O-CA 3.24Å; L244-A259 WeakPolarHBondContact O-CA 3.15Å; V245-A259 HydrophobicContact CG2-CB 4.18Å
260	Y	97.5	Very high	92.2	Very high	40 Å²	40	40.1 Å²	40.1	16%	0.157	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	123.7	170.5	-179.5	-97.1	0	0	0	109.7	M21 L162 K163 V164 L244	M21-Y260 HydrophobicContact SD-CD2 4.04Å; L162-Y260 WeakPolarHBondContact O-CD2 3.11Å; K163-Y260 HydrophobicContact CB-CD2 4.21Å; K163-Y260 HydrophobicContact CB-CE1 4.3Å; K163-Y260 HydrophobicContact CB-CE2 3.69Å; V164-Y260 HydrophobicContact CB-CD1 4.34Å; V164-Y260 HydrophobicContact CB-CE1 4.04Å; V164-Y260 HydrophobicContact CG2-CD1 4.03Å; V164-Y260 HydrophobicContact CG2-CE1 4.25Å; V164-Y260 VanDerWaalsContact N-CE1 3.27Å; L244-Y260 PolarHBondContact N-O 3.24Å; L244-Y260 PolarHBondContact O-N 2.62Å
261	L	96.4	Very high	92.6	Very high	8 Å²	8	45 Å²	45	4%	0.042	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	122	172.5	-68.8	-176.5	0	0	0	109.7	R17 L20 M21 L24 W222 C243	R17-L261 HydrophobicContact CG-CB 3.79Å; R17-L261 HydrophobicContact CG-CD1 4.35Å; R17-L261 PolarHBondContact NH1-O 3.34Å; L20-L261 HydrophobicContact CB-CD1 3.63Å; M21-L261 HydrophobicContact CB-CB 4.39Å; M21-L261 HydrophobicContact CB-CD1 4.06Å; M21-L261 HydrophobicContact CB-CG 4.09Å; L24-L261 HydrophobicContact CD1-CD1 4.01Å; L24-L261 HydrophobicContact CD1-CD2 3.66Å; L24-L261 HydrophobicContact CD1-CG 3.96Å; W222-L261 HydrophobicContact CH2-CD2 3.55Å; W222-L261 HydrophobicContact CZ2-CD2 3.71Å; W222-L261 HydrophobicContact CZ3-CD2 4.49Å; C243-L261 HydrophobicContact CB-CD2 3.53Å
262	C	95.6	Very high	93.1	Very high	16 Å²	16	40.5 Å²	40.5	11%	0.108	27%	0.271	C	S	.	.			trans	-63.4	144.3	177.7	-61.3	0	0	0	0	110.4	L168 V242 R264	L168-C262 HydrophobicContact CD1-CB 4.39Å; V242-C262 HydrophobicContact CB-CB 4.18Å; V242-C262 PolarHBondContact O-N 3.45Å; C262-R264 PolarHBondContact O-N 3.13Å
263	G	89.7	Confident	93.8	Very high	53 Å²	53	38.1 Å²	38.1	55%	0.546	25%	0.249	S	C	.	.	S	Bend	trans	-74.2	-12.7	-174.9	0	0	0	0	0	114.6
264	R	91.7	Very high	94.3	Very high	104 Å²	104	37 Å²	37	39%	0.392	24%	0.236	S	C	.	.	S	Bend	trans	-137.7	147.7	-176.7	-65.7	179.4	177.7	-175.7	-3.6	109.9	D167 C262 R325	D167-R264 IonicContact OD1-NH1 2.95Å; D167-R264 IonicContact OD2-CZ 2.69Å; D167-R264 IonicContact OD2-NH1 2.69Å; D167-R264 PolarHBondContact OD2-NH1 2.95Å; C262-R264 PolarHBondContact O-N 3.13Å; R264-R325 VanDerWaalsContact NH2-CD 3.34Å
265	P	95.1	Very high	94.7	Very high	46 Å²	46	34 Å²	34	30%	0.299	22%	0.216	S	C	.	.			trans	-66.9	166.3	168.3	29.6	-33.1	0	0	0	110.8	M197 K240 G267	M197-P265 HydrophobicContact CE-CB 3.77Å; M197-P265 HydrophobicContact CE-CG 3.6Å; M197-P265 HydrophobicContact SD-CB 4.48Å; M197-P265 HydrophobicContact SD-CG 4.38Å; K240-P265 CarbonylContact O-C 3.49Å; K240-P265 WeakPolarHBondContact O-CA 3.42Å; K240-P265 WeakPolarHBondContact O-CB 3.13Å; P265-G267 PolarHBondContact O-N 3.13Å
266	V	98.1	Very high	94.9	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.018	24%	0.243	C	C	.	.			trans	-60.2	124.9	172.3	178.2	0	0	0	0	109.9	L168 V170 P233 D237 G239 K240 V242	L168-V266 HydrophobicContact CB-CG2 4.42Å; L168-V266 VanDerWaalsContact O-CA 3.31Å; L168-V266 WeakPolarHBondContact O-CA 3.35Å; V170-V266 HydrophobicContact CG2-CG1 4.15Å; P233-V266 HydrophobicContact CB-CB 4.45Å; P233-V266 HydrophobicContact CB-CG1 3.48Å; P233-V266 VanDerWaalsContact CB-CG1 3.48Å; P233-V266 HydrophobicContact CB-CG2 4.07Å; P233-V266 HydrophobicContact CG-CG1 4.12Å; P233-V266 HydrophobicContact CG-CG2 4.32Å; D237-V266 HydrophobicContact CB-CB 4.42Å; D237-V266 HydrophobicContact CB-CG1 4.29Å; D237-V266 HydrophobicContact CB-CG2 4.11Å; D237-V266 VanDerWaalsContact O-CB 3.28Å; D237-V266 WeakPolarHBondContact O-CB 3.27Å; G239-V266 PolarHBondContact N-O 2.97Å; K240-V266 PolarHBondContact O-N 3.48Å; V242-V266 HydrophobicContact CG2-CG2 3.49Å; V242-V266 VanDerWaalsContact CG2-CG2 3.49Å
267	G	96.9	Very high	95.1	Very high	27 Å²	27	46 Å²	46	28%	0.278	27%	0.269	S	S	.	.	B	Isolated β-bridge	trans	-98.2	175.1	174.6	0	0	0	0	0	113	L168 M169 V170 P265	L168-G267 PolarHBondContact O-N 2.9Å; M169-G267 VanDerWaalsContact CA-O 3.28Å; M169-G267 WeakPolarHBondContact CA-O 3.32Å; V170-G267 PolarHBondContact N-O 2.7Å; P265-G267 PolarHBondContact O-N 3.13Å
268	H	96.8	Very high	95.2	Very high	114 Å²	114	45.8 Å²	45.8	53%	0.528	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-78.3	140.9	162.8	-65.7	-79.5	0	0	0	109.6	E235	E235-H268 IonicContact OE1-CE1 2.83Å; E235-H268 PolarHBondContact OE1-CE1 3.34Å; E235-H268 VanDerWaalsContact OE1-CE1 3.25Å; E235-H268 IonicContact OE1-ND1 2.61Å
269	G	92	Very high	95.2	Very high	24 Å²	24	45.3 Å²	45.3	25%	0.247	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-70.4	172.6	165.5	0	0	0	0	0	111.5
270	P	94.4	Very high	95.2	Very high	23 Å²	23	48.6 Å²	48.6	15%	0.149	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-63.4	147.5	174.8	30.7	-37.9	0	0	0	111.3	S272 V273 L332 V547	P270-S272 WeakPolarHBondContact CB-O 3.43Å; P270-S272 PolarHBondContact O-N 3.02Å; P270-V273 HydrophobicContact CB-CG1 4.47Å; P270-V273 HydrophobicContact CG-CG1 3.5Å; P270-V273 VanDerWaalsContact CG-CG1 3.5Å; P270-L332 HydrophobicContact CG-CD2 4.06Å; P270-V547 HydrophobicContact CB-CG2 4.01Å; P270-V547 VanDerWaalsContact CB-O 3.28Å; P270-V547 WeakPolarHBondContact CB-O 3.28Å
271	A	92.8	Very high	95.1	Very high	117 Å²	117	50.1 Å²	50.1	97%	0.967	29%	0.292	S	S	*	.	S	Bend	trans	-64.7	-31.4	-179.8	0	0	0	0	0	112.6
272	S	93.4	Very high	95	Very high	42 Å²	42	49.8 Å²	49.8	29%	0.294	29%	0.291	S	S	.	.			trans	-135.8	157.2	176	61.8	0	0	0	0	109.7	P270 S548	P270-S272 WeakPolarHBondContact CB-O 3.43Å; P270-S272 PolarHBondContact O-N 3.02Å; S272-S548 PolarHBondContact O-OG 3.21Å; S272-S548 PolarHBondContact OG-OG 3.06Å
273	V	96.3	Very high	94.8	Very high	27 Å²	27	54.6 Å²	54.6	16%	0.164	31%	0.312	C	S	.	.			trans	-138.9	144.7	176.9	-65	0	0	0	0	109.7	P270 W275 K276	P270-V273 HydrophobicContact CB-CG1 4.47Å; P270-V273 HydrophobicContact CG-CG1 3.5Å; P270-V273 VanDerWaalsContact CG-CG1 3.5Å; V273-W275 HydrophobicContact CB-CD2 3.87Å; V273-W275 HydrophobicContact CB-CE3 4Å; V273-W275 HydrophobicContact CB-CH2 3.65Å; V273-W275 HydrophobicContact CB-CZ2 3.55Å; V273-W275 HydrophobicContact CB-CZ3 3.88Å; V273-W275 HydrophobicContact CG1-CH2 3.53Å; V273-W275 HydrophobicContact CG1-CZ2 3.49Å; V273-W275 VanDerWaalsContact CG1-CZ2 3.49Å; V273-W275 HydrophobicContact CG1-CZ3 4.2Å; V273-W275 HydrophobicContact CG2-CD2 3.99Å; V273-W275 HydrophobicContact CG2-CG 4.29Å; V273-W275 HydrophobicContact CG2-CH2 4.47Å; V273-W275 HydrophobicContact CG2-CZ2 3.89Å; V273-W275 PolarHBondContact O-N 2.83Å; V273-K276 HydrophobicContact CG2-CB 3.89Å
274	I	96.2	Very high	94.7	Very high	4 Å²	4	59.6 Å²	59.6	2%	0.021	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-17.7	-173.5	63.1	170.1	0	0	0	114	P533 I537 L538 L544 S548	I274-P533 HydrophobicContact CB-CB 4.35Å; I274-P533 HydrophobicContact CB-CG 4.14Å; I274-P533 WeakPolarHBondContact O-CB 3.36Å; I274-P533 WeakPolarHBondContact O-CG 3.49Å; I274-I537 HydrophobicContact CG2-CD1 4.27Å; I274-I537 HydrophobicContact CG2-CG1 4.12Å; I274-L538 HydrophobicContact CG2-CD2 4.17Å; I274-L544 HydrophobicContact CD1-CD1 4.15Å; I274-S548 PolarHBondContact N-O 3.48Å; I274-S548 VanDerWaalsContact N-O 3.15Å
275	W	96.5	Very high	94.2	Very high	12 Å²	12	56.7 Å²	56.7	5%	0.045	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-9.1	-174.4	58.3	81.1	0	0	0	115.2	V273 E277 R278 H279 L332 E336 Y340	V273-W275 HydrophobicContact CB-CD2 3.87Å; V273-W275 HydrophobicContact CB-CE3 4Å; V273-W275 HydrophobicContact CB-CH2 3.65Å; V273-W275 HydrophobicContact CB-CZ2 3.55Å; V273-W275 HydrophobicContact CB-CZ3 3.88Å; V273-W275 HydrophobicContact CG1-CH2 3.53Å; V273-W275 HydrophobicContact CG1-CZ2 3.49Å; V273-W275 VanDerWaalsContact CG1-CZ2 3.49Å; V273-W275 HydrophobicContact CG1-CZ3 4.2Å; V273-W275 HydrophobicContact CG2-CD2 3.99Å; V273-W275 HydrophobicContact CG2-CG 4.29Å; V273-W275 HydrophobicContact CG2-CH2 4.47Å; V273-W275 HydrophobicContact CG2-CZ2 3.89Å; V273-W275 PolarHBondContact O-N 2.83Å; W275-E277 PolarHBondContact O-N 3.49Å; W275-R278 PolarHBondContact O-N 3.13Å; W275-R278 VanDerWaalsContact O-N 3.14Å; W275-H279 AromaticContact CD1-CE1 3.09Å; W275-H279 AromaticContact CD1-CG 3.97Å; W275-H279 AromaticContact CD1-ND1 3.41Å; W275-H279 AromaticContact CD1-NE2 3.53Å; W275-H279 AromaticContact CG-CE1 3.91Å; W275-H279 AromaticContact CG-NE2 3.93Å; W275-H279 AromaticContact NE1-CE1 3.67Å; W275-H279 PolarHBondContact O-N 3.19Å; W275-L332 HydrophobicContact CH2-CB 3.54Å; W275-L332 HydrophobicContact CH2-CD1 4.02Å; W275-L332 HydrophobicContact CH2-CD2 3.93Å; W275-L332 HydrophobicContact CH2-CG 3.99Å; W275-L332 HydrophobicContact CZ3-CB 4.01Å; W275-L332 HydrophobicContact CZ3-CD1 4.27Å; W275-E336 HydrophobicContact CB-CB 4.46Å; W275-E336 HydrophobicContact CB-CG 3.83Å; W275-E336 HydrophobicContact CD2-CB 3.63Å; W275-E336 HydrophobicContact CD2-CG 3.86Å; W275-E336 HydrophobicContact CE3-CB 3.74Å; W275-E336 VanDerWaalsContact CE3-CD 3.43Å; W275-E336 HydrophobicContact CE3-CG 3.84Å; W275-E336 HydrophobicContact CG-CB 3.98Å; W275-E336 HydrophobicContact CG-CG 3.89Å; W275-E336 HydrophobicContact CZ3-CB 4.27Å; W275-Y340 HydrophobicContact CB-CE1 4.35Å; W275-Y340 VanDerWaalsContact CB-OH 3.22Å; W275-Y340 WeakPolarHBondContact CB-OH 3.31Å
276	K	95.5	Very high	93.2	Very high	141 Å²	141	59.9 Å²	59.9	61%	0.613	33%	0.333	S	S	*	.	H	α-helix	trans	-54.9	-48.4	-169.4	-175.8	175.8	179.6	178.5	0	113.2	V273 I280	V273-K276 HydrophobicContact CG2-CB 3.89Å; K276-I280 WeakPolarHBondContact O-CG1 3.32Å; K276-I280 PolarHBondContact O-N 3.38Å
277	E	95.1	Very high	92.7	Very high	117 Å²	117	62.1 Å²	62.1	55%	0.547	35%	0.345	S	S	.	.	H	α-helix	trans	-68.5	-41.1	-179.6	-65.7	-177.1	173.7	0	0	111.9	W275 H279 I280 L281 P534	W275-E277 PolarHBondContact O-N 3.49Å; E277-H279 PolarHBondContact O-N 3.15Å; E277-I280 WeakPolarHBondContact O-CB 3.43Å; E277-I280 PolarHBondContact O-N 2.7Å; E277-I280 VanDerWaalsContact O-N 3.14Å; E277-L281 WeakPolarHBondContact O-CG 3.21Å; E277-L281 PolarHBondContact O-N 2.88Å; E277-P534 WeakPolarHBondContact OE2-CD 3.49Å; E277-P534 VanDerWaalsContact OE2-CG 3.25Å; E277-P534 WeakPolarHBondContact OE2-CG 3.31Å
278	R	95.9	Very high	92.4	Very high	4 Å²	4	64.3 Å²	64.3	2%	0.015	35%	0.354	C	S	.	.	H	α-helix	trans	-63.7	-39.4	177.9	-65.9	-170.5	-69.2	171.1	-1.7	111.8	W275 I280 L281 C282 E336 Y340 P531 I554 P555	W275-R278 PolarHBondContact O-N 3.13Å; W275-R278 VanDerWaalsContact O-N 3.14Å; R278-I280 VanDerWaalsContact C-N 3.34Å; R278-I280 PolarHBondContact O-N 2.7Å; R278-L281 WeakPolarHBondContact O-CB 3.31Å; R278-L281 PolarHBondContact O-N 2.82Å; R278-C282 WeakPolarHBondContact O-CB 3.19Å; R278-C282 PolarHBondContact O-N 2.86Å; R278-C282 PolarHBondContact O-SG 2.87Å; R278-E336 IonicContact NH2-OE1 3.76Å; R278-E336 PolarHBondContact NH2-OE1 3.46Å; R278-Y340 HydrophobicContact CB-CE1 3.76Å; R278-Y340 PolarHBondContact NE-OH 2.89Å; R278-Y340 PolarHBondContact NH2-OH 3.41Å; R278-P531 VanDerWaalsContact CD-O 3.28Å; R278-P531 WeakPolarHBondContact CD-O 3.19Å; R278-I554 VanDerWaalsContact NH1-CG2 3.29Å; R278-P555 PolarHBondContact NH1-O 3.08Å
279	H	96.7	Very high	91.9	Very high	25 Å²	25	65.7 Å²	65.7	12%	0.116	36%	0.36	C	S	.	.	H	α-helix	trans	-58.7	-44	171.5	-77.1	-170.8	0	0	0	112.4	W275 E277 L281 C282 Q283 N335 E336 Y340	W275-H279 AromaticContact CD1-CE1 3.09Å; W275-H279 AromaticContact CD1-CG 3.97Å; W275-H279 AromaticContact CD1-ND1 3.41Å; W275-H279 AromaticContact CD1-NE2 3.53Å; W275-H279 AromaticContact CG-CE1 3.91Å; W275-H279 AromaticContact CG-NE2 3.93Å; W275-H279 AromaticContact NE1-CE1 3.67Å; W275-H279 PolarHBondContact O-N 3.19Å; E277-H279 PolarHBondContact O-N 3.15Å; H279-L281 VanDerWaalsContact C-N 3.31Å; H279-L281 PolarHBondContact O-N 2.89Å; H279-C282 PolarHBondContact O-N 2.9Å; H279-Q283 WeakPolarHBondContact O-CB 3.37Å; H279-Q283 VanDerWaalsContact O-CG 3.24Å; H279-Q283 WeakPolarHBondContact O-CG 3.18Å; H279-Q283 PolarHBondContact O-N 3.32Å; H279-N335 PolarHBondContact CE1-O 3.46Å; H279-N335 VanDerWaalsContact CE1-O 3.25Å; H279-E336 PolarHBondContact CE1-O 2.88Å; H279-E336 PolarHBondContact NE2-O 2.73Å; H279-Y340 AromaticContact CD2-CD1 3.54Å; H279-Y340 AromaticContact CD2-CE1 3.49Å; H279-Y340 VanDerWaalsContact CD2-CE1 3.49Å; H279-Y340 WeakPolarHBondContact CD2-CE1 3.31Å; H279-Y340 AromaticContact NE2-CD1 3.99Å; H279-Y340 AromaticContact NE2-CE1 3.88Å
280	I	95.9	Very high	91.8	Very high	73 Å²	73	69 Å²	69	37%	0.374	37%	0.373	S	S	.	.	H	α-helix	trans	-60.7	-43.2	176.9	-67.1	165.9	0	0	0	110.4	K276 E277 R278 Q283 K284	K276-I280 WeakPolarHBondContact O-CG1 3.32Å; K276-I280 PolarHBondContact O-N 3.38Å; E277-I280 WeakPolarHBondContact O-CB 3.43Å; E277-I280 PolarHBondContact O-N 2.7Å; E277-I280 VanDerWaalsContact O-N 3.14Å; R278-I280 VanDerWaalsContact C-N 3.34Å; R278-I280 PolarHBondContact O-N 2.7Å; I280-Q283 PolarHBondContact O-N 3.35Å; I280-K284 HydrophobicContact CG2-CD 4.09Å; I280-K284 WeakPolarHBondContact O-CG 3.18Å; I280-K284 PolarHBondContact O-N 3.42Å
281	L	95.4	Very high	91.8	Very high	72 Å²	72	68.3 Å²	68.3	38%	0.377	37%	0.368	S	S	.	.	H	α-helix	trans	-61.6	-50.8	175.5	-65	175.2	0	0	0	110.9	E277 R278 H279 Q283 K284 T285 F530 P531	E277-L281 WeakPolarHBondContact O-CG 3.21Å; E277-L281 PolarHBondContact O-N 2.88Å; R278-L281 WeakPolarHBondContact O-CB 3.31Å; R278-L281 PolarHBondContact O-N 2.82Å; H279-L281 VanDerWaalsContact C-N 3.31Å; H279-L281 PolarHBondContact O-N 2.89Å; L281-Q283 VanDerWaalsContact C-N 3.25Å; L281-Q283 PolarHBondContact O-N 2.9Å; L281-K284 PolarHBondContact O-N 3.03Å; L281-K284 VanDerWaalsContact O-N 3.08Å; L281-T285 PolarHBondContact O-N 2.82Å; L281-T285 PolarHBondContact O-OG1 3.41Å; L281-T285 VanDerWaalsContact O-OG1 3.06Å; L281-F530 HydrophobicContact CB-CD1 3.79Å; L281-F530 HydrophobicContact CB-CE1 3.89Å; L281-F530 HydrophobicContact CD1-CD1 4.49Å; L281-P531 HydrophobicContact CD1-CG 4.3Å
282	C	94.8	Very high	91.9	Very high	2 Å²	2	63.6 Å²	63.6	1%	0.014	33%	0.326	C	S	.	.	H	α-helix	trans	-57.9	-35.6	179.4	-68.9	0	0	0	0	113.1	R278 H279 R293 Y340 F530	R278-C282 WeakPolarHBondContact O-CB 3.19Å; R278-C282 PolarHBondContact O-N 2.86Å; R278-C282 PolarHBondContact O-SG 2.87Å; H279-C282 PolarHBondContact O-N 2.9Å; C282-R293 PolarHBondContact O-NH1 2.86Å; C282-Y340 WeakPolarHBondContact CB-O 3.04Å; C282-F530 HydrophobicContact CB-CE1 4.33Å; C282-F530 VanDerWaalsContact SG-CE1 3.57Å
283	Q	91.2	Very high	92.1	Very high	117 Å²	117	61.8 Å²	61.8	55%	0.547	31%	0.313	S	S	.	.	H	α-helix	trans	-73.7	-30.1	178	-71.1	172.1	23.4	0	0	113.4	H279 I280 L281 T285	H279-Q283 WeakPolarHBondContact O-CB 3.37Å; H279-Q283 VanDerWaalsContact O-CG 3.24Å; H279-Q283 WeakPolarHBondContact O-CG 3.18Å; H279-Q283 PolarHBondContact O-N 3.32Å; I280-Q283 PolarHBondContact O-N 3.35Å; L281-Q283 VanDerWaalsContact C-N 3.25Å; L281-Q283 PolarHBondContact O-N 2.9Å; Q283-T285 VanDerWaalsContact C-N 3.28Å
284	K	88.5	Confident	92.2	Very high	157 Å²	157	60.6 Å²	60.6	68%	0.683	31%	0.306	S	S	*	.	H	α-helix	trans	-79.8	-10.8	178.5	-73.5	175.4	179.4	177.7	0	113.4	I280 L281 P286	I280-K284 HydrophobicContact CG2-CD 4.09Å; I280-K284 WeakPolarHBondContact O-CG 3.18Å; I280-K284 PolarHBondContact O-N 3.42Å; L281-K284 PolarHBondContact O-N 3.03Å; L281-K284 VanDerWaalsContact O-N 3.08Å; K284-P286 VanDerWaalsContact C-CD 3.45Å; K284-P286 WeakPolarHBondContact O-CD 3.28Å
285	T	80.2	Confident	92.3	Very high	44 Å²	44	60.4 Å²	60.4	27%	0.27	31%	0.305	S	S	.	.			trans	-107.4	81.8	-177.9	-46.4	0	0	0	0	110.3	L281 Q283 L287 R293	L281-T285 PolarHBondContact O-N 2.82Å; L281-T285 PolarHBondContact O-OG1 3.41Å; L281-T285 VanDerWaalsContact O-OG1 3.06Å; Q283-T285 VanDerWaalsContact C-N 3.28Å; T285-L287 HydrophobicContact CG2-CD2 4.17Å; T285-R293 PolarHBondContact O-NH2 3.16Å
286	P	75.4	Confident	92.3	Very high	113 Å²	113	59.8 Å²	59.8	73%	0.734	30%	0.302	S	S	*	.			trans	-63.9	136.9	170.5	27.8	-33.1	0	0	0	109.7	K284	K284-P286 VanDerWaalsContact C-CD 3.45Å; K284-P286 WeakPolarHBondContact O-CD 3.28Å
287	L	86.9	Confident	92.5	Very high	49 Å²	49	53.1 Å²	53.1	26%	0.257	27%	0.273	S	S	.	.			trans	-106.5	132.7	-173	-62.2	174.6	0	0	0	111.4	T285 V291 R293 D559	T285-L287 HydrophobicContact CG2-CD2 4.17Å; L287-V291 HydrophobicContact CD2-CB 4.5Å; L287-V291 HydrophobicContact CD2-CG1 3.88Å; L287-R293 HydrophobicContact CD1-CB 3.67Å; L287-D559 HydrophobicContact CD2-CB 4.13Å
288	P	89.5	Confident	92.6	Very high	74 Å²	74	47.6 Å²	47.6	48%	0.481	25%	0.248	S	C	.	.			trans	-52.7	155.5	160.5	-24.2	35.1	0	0	0	111.4	D290 V291	P288-D290 WeakPolarHBondContact CB-OD1 3.36Å; P288-D290 PolarHBondContact O-N 3.38Å; P288-V291 HydrophobicContact CB-CG2 4.08Å; P288-V291 HydrophobicContact CG-CG2 4.05Å; P288-V291 PolarHBondContact O-N 3.43Å
289	H	87	Confident	92.7	Very high	142 Å²	142	47.7 Å²	47.7	66%	0.657	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.3	-176.3	-176.3	61.2	0	0	0	113.1
290	D	89.4	Confident	92.8	Very high	95 Å²	95	46.8 Å²	46.8	51%	0.508	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-6.3	179.3	57.8	-30.4	0	0	0	114.6	P288	P288-D290 WeakPolarHBondContact CB-OD1 3.36Å; P288-D290 PolarHBondContact O-N 3.38Å
291	V	94.7	Very high	92.8	Very high	8 Å²	8	43.3 Å²	43.3	5%	0.048	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	134.4	171.4	-178.7	0	0	0	0	109	L287 P288 K391 D559 E561	L287-V291 HydrophobicContact CD2-CB 4.5Å; L287-V291 HydrophobicContact CD2-CG1 3.88Å; P288-V291 HydrophobicContact CB-CG2 4.08Å; P288-V291 HydrophobicContact CG-CG2 4.05Å; P288-V291 PolarHBondContact O-N 3.43Å; V291-K391 PolarHBondContact O-NZ 3.03Å; V291-D559 HydrophobicContact CG1-CB 3.85Å; V291-E561 HydrophobicContact CG2-CB 4.47Å
292	I	95.6	Very high	92.7	Very high	18 Å²	18	42.7 Å²	42.7	9%	0.092	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.3	-178.1	-61.8	157.7	0	0	0	107.7	L294 D343 L344 F392 I560	I292-L294 PolarHBondContact O-N 3.36Å; I292-D343 HydrophobicContact CG2-CB 4.06Å; I292-L344 HydrophobicContact CG2-CB 4.02Å; I292-F392 HydrophobicContact CB-CZ 4.45Å; I292-F392 HydrophobicContact CD1-CE1 4.08Å; I292-F392 HydrophobicContact CD1-CZ 3.62Å; I292-F392 HydrophobicContact CG1-CE2 4.42Å; I292-F392 HydrophobicContact CG1-CZ 3.74Å; I292-F392 HydrophobicContact CG2-CE2 4.24Å; I292-F392 HydrophobicContact CG2-CZ 3.83Å; I292-I560 HydrophobicContact CB-CG1 4.07Å; I292-I560 HydrophobicContact CG2-CG1 4.43Å; I292-I560 PolarHBondContact N-O 3.46Å; I292-I560 WeakPolarHBondContact O-CG1 3.24Å; I292-I560 PolarHBondContact O-N 3.2Å
293	R	97.2	Very high	92.6	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.015	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.1	165.3	-176.7	162.9	-68.8	153.2	8.9	110.1	C282 T285 L287 Y340 A342 D343 L344 D559	C282-R293 PolarHBondContact O-NH1 2.86Å; T285-R293 PolarHBondContact O-NH2 3.16Å; L287-R293 HydrophobicContact CD1-CB 3.67Å; R293-Y340 WeakPolarHBondContact CD-O 3.12Å; R293-Y340 PolarHBondContact NH1-O 3.4Å; R293-A342 HydrophobicContact CG-CB 4.18Å; R293-D343 PolarHBondContact N-OD2 2.94Å; R293-D343 PolarHBondContact O-N 2.98Å; R293-L344 PolarHBondContact O-N 3.43Å; R293-L344 VanDerWaalsContact O-N 3.08Å; R293-D559 WeakPolarHBondContact CB-OD1 3.34Å; R293-D559 IonicContact CZ-OD1 3.88Å; R293-D559 IonicContact NE-OD1 2.8Å; R293-D559 PolarHBondContact NE-OD1 3.22Å; R293-D559 IonicContact NH2-OD1 2.99Å; R293-D559 PolarHBondContact NH2-OD1 3.14Å; R293-D559 VanDerWaalsContact NH2-OD1 3.14Å; R293-D559 IonicContact NH2-OD2 2.8Å; R293-D559 PolarHBondContact NH2-OD2 3.25Å
294	L	97.8	Very high	92.6	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	137.4	177.5	175.1	65.5	0	0	0	110.3	I292 L344 V518 M558 I560	I292-L294 PolarHBondContact O-N 3.36Å; L294-L344 CarbonylContact C-O 3.55Å; L294-L344 WeakPolarHBondContact CA-O 3.28Å; L294-L344 HydrophobicContact CD1-CB 4.09Å; L294-L344 HydrophobicContact CD1-CD2 3.9Å; L294-L344 HydrophobicContact CD1-CG 3.82Å; L294-V518 HydrophobicContact CD2-CB 4.37Å; L294-V518 HydrophobicContact CD2-CG1 3.48Å; L294-V518 VanDerWaalsContact CD2-CG1 3.48Å; L294-V518 HydrophobicContact CD2-CG2 3.92Å; L294-M558 HydrophobicContact CB-CG 4.17Å; L294-M558 HydrophobicContact CD2-CG 4.35Å; L294-M558 HydrophobicContact CD2-SD 4.32Å; L294-M558 PolarHBondContact N-O 2.9Å; L294-M558 PolarHBondContact O-N 2.93Å; L294-M558 VanDerWaalsContact O-N 3.15Å; L294-I560 HydrophobicContact CB-CD1 4.17Å; L294-I560 HydrophobicContact CB-CG1 4.38Å; L294-I560 HydrophobicContact CD2-CD1 4.1Å
295	M	98	Very high	92.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.4	166.8	-172.2	-179.3	74.6	0	0	110.5	I337 Y340 A342 L344 I345 C346 L347 P555 L556 L557	M295-I337 HydrophobicContact CE-CB 4.38Å; M295-I337 HydrophobicContact CE-CG1 4.18Å; M295-I337 HydrophobicContact CE-CG2 3.79Å; M295-Y340 HydrophobicContact SD-CD2 3.41Å; M295-Y340 WeakPolarHBondContact SD-CD2 3.44Å; M295-Y340 HydrophobicContact SD-CE2 3.93Å; M295-Y340 HydrophobicContact SD-CG 4.3Å; M295-A342 HydrophobicContact CB-CB 3.86Å; M295-L344 PolarHBondContact N-O 2.91Å; M295-I345 HydrophobicContact CB-CG1 4.26Å; M295-I345 HydrophobicContact CE-CB 4.17Å; M295-I345 HydrophobicContact CE-CD1 4.17Å; M295-I345 HydrophobicContact CE-CG1 3.97Å; M295-I345 HydrophobicContact CE-CG2 3.32Å; M295-I345 CarbonylContact O-C 3.51Å; M295-I345 WeakPolarHBondContact O-CA 3.21Å; M295-C346 PolarHBondContact O-N 3Å; M295-L347 HydrophobicContact CE-CD2 3.9Å; M295-P555 HydrophobicContact CG-CB 3.97Å; M295-P555 HydrophobicContact SD-CB 4.15Å; M295-L556 VanDerWaalsContact CA-O 3.25Å; M295-L556 WeakPolarHBondContact CA-O 3.34Å; M295-L557 HydrophobicContact CB-CD2 4.06Å; M295-L557 HydrophobicContact CG-CD2 3.97Å; M295-L557 HydrophobicContact CG-CG 4.26Å; M295-L557 HydrophobicContact SD-CD2 4.37Å
296	S	98.2	Very high	93	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	130	164.7	-168.6	0	0	0	0	109.4	C346 Q348 P555 L556	S296-C346 CarbonylContact C-O 3.52Å; S296-C346 VanDerWaalsContact CA-O 3.27Å; S296-C346 WeakPolarHBondContact CA-O 3.3Å; S296-Q348 PolarHBondContact OG-NE2 3.01Å; S296-P555 CarbonylContact O-C 3.58Å; S296-P555 VanDerWaalsContact O-CA 3.31Å; S296-P555 WeakPolarHBondContact O-CA 3.42Å; S296-L556 PolarHBondContact N-O 3.2Å; S296-L556 PolarHBondContact O-N 3.27Å
297	Y	98.5	Very high	93.7	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	117.8	-173.9	-167.9	-164.4	0	0	0	114	I299 L333 E336 I337 C346 L347 Q348 S551 H553 P555	Y297-I299 HydrophobicContact CD1-CG2 3.63Å; Y297-I299 HydrophobicContact CE1-CG2 3.93Å; Y297-I299 HydrophobicContact CG-CG2 3.94Å; Y297-I299 PolarHBondContact O-N 3.46Å; Y297-L333 HydrophobicContact CD1-CD2 4.44Å; Y297-L333 HydrophobicContact CE1-CD2 3.49Å; Y297-L333 VanDerWaalsContact CE1-CD2 3.49Å; Y297-E336 PolarHBondContact OH-OE2 2.93Å; Y297-I337 HydrophobicContact CD1-CG1 4.27Å; Y297-I337 HydrophobicContact CE1-CG1 4.49Å; Y297-C346 PolarHBondContact N-O 3.3Å; Y297-L347 VanDerWaalsContact O-CA 3.28Å; Y297-L347 WeakPolarHBondContact O-CA 3.11Å; Y297-Q348 PolarHBondContact O-N 3.3Å; Y297-Q348 PolarHBondContact O-OE1 3.32Å; Y297-S551 WeakPolarHBondContact OH-CB 3.22Å; Y297-H553 HydrophobicContact CE2-CB 4.34Å; Y297-H553 WeakPolarHBondContact CE2-O 3.45Å; Y297-P555 HydrophobicContact CD1-CB 4.07Å; Y297-P555 HydrophobicContact CD1-CG 4.24Å; Y297-P555 HydrophobicContact CD2-CB 3.99Å; Y297-P555 HydrophobicContact CD2-CG 4.33Å; Y297-P555 HydrophobicContact CE1-CG 4.38Å; Y297-P555 HydrophobicContact CG-CB 3.71Å; Y297-P555 HydrophobicContact CG-CG 4.23Å
298	N	98.4	Very high	93.8	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	114.8	163.9	-174.9	-21.5	0	0	0	109.6	L300 Q348 E349 D451 S551 H553	N298-L300 PolarHBondContact OD1-N 2.82Å; N298-Q348 HydrophobicContact CB-CB 4.03Å; N298-E349 VanDerWaalsContact ND2-CD 3.28Å; N298-E349 PolarHBondContact ND2-OE1 2.82Å; N298-E349 WeakPolarHBondContact OD1-CB 3.43Å; N298-E349 VanDerWaalsContact OD1-CG 3.31Å; N298-E349 WeakPolarHBondContact OD1-CG 3.48Å; N298-D451 HydrophobicContact CB-CB 4.42Å; N298-D451 PolarHBondContact ND2-OD2 3.41Å; N298-D451 VanDerWaalsContact ND2-OD2 3.15Å; N298-S551 WeakPolarHBondContact O-CB 3.12Å; N298-S551 PolarHBondContact O-OG 3.36Å; N298-H553 HydrophobicContact CB-CB 3.98Å
299	I	98.1	Very high	93.8	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.031	22%	0.217	C	C	.	.			trans	-96.7	7.6	-173.5	64.9	164.4	0	0	0	114.1	Y297 R329 L333 I337 L347 Q348 V350 W359	Y297-I299 HydrophobicContact CD1-CG2 3.63Å; Y297-I299 HydrophobicContact CE1-CG2 3.93Å; Y297-I299 HydrophobicContact CG-CG2 3.94Å; Y297-I299 PolarHBondContact O-N 3.46Å; I299-R329 PolarHBondContact O-NH1 3.1Å; I299-L333 HydrophobicContact CB-CD1 4.1Å; I299-L333 HydrophobicContact CB-CD2 4.12Å; I299-L333 HydrophobicContact CG2-CD2 3.99Å; I299-I337 HydrophobicContact CG2-CD1 4.23Å; I299-L347 HydrophobicContact CD1-CD1 4.46Å; I299-L347 HydrophobicContact CG2-CD2 4.01Å; I299-Q348 WeakPolarHBondContact CG1-O 3.3Å; I299-Q348 PolarHBondContact N-O 3.23Å; I299-V350 HydrophobicContact CD1-CB 4.32Å; I299-V350 HydrophobicContact CD1-CG1 4.3Å; I299-V350 HydrophobicContact CD1-CG2 3.85Å; I299-V350 HydrophobicContact CG1-CG2 4.11Å; I299-W359 HydrophobicContact CD1-CZ2 4.18Å
300	L	97.7	Very high	94	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.031	20%	0.203	C	C	.	.			trans	59.1	101.3	177.2	180	61.5	0	0	0	113.4	N298 L305 F316 R329 E349 P545	N298-L300 PolarHBondContact OD1-N 2.82Å; L300-L305 HydrophobicContact CD2-CD1 4.42Å; L300-L305 HydrophobicContact CD2-CD2 4.11Å; L300-L305 HydrophobicContact CG-CD1 4.46Å; L300-F316 HydrophobicContact CD1-CE2 3.94Å; L300-F316 HydrophobicContact CD1-CZ 4.04Å; L300-F316 HydrophobicContact CD2-CE2 3.71Å; L300-F316 HydrophobicContact CD2-CZ 3.97Å; L300-F316 HydrophobicContact CG-CE2 4.43Å; L300-R329 VanDerWaalsContact O-CZ 3.31Å; L300-R329 PolarHBondContact O-NH1 2.8Å; L300-R329 PolarHBondContact O-NH2 2.95Å; L300-E349 WeakPolarHBondContact CA-OE2 3.19Å; L300-P545 HydrophobicContact CD2-CB 4.4Å; L300-P545 HydrophobicContact CD2-CG 3.96Å
301	A	96.1	Very high	94.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.			trans	-69	146	-179.2	0	0	0	0	0	111.5	L303 Y304 E349 D351 E381	A301-L303 PolarHBondContact O-N 3.16Å; A301-L303 VanDerWaalsContact O-N 3.15Å; A301-Y304 HydrophobicContact CB-CD2 3.72Å; A301-Y304 HydrophobicContact CB-CE2 3.81Å; A301-Y304 PolarHBondContact O-N 3.05Å; A301-Y304 VanDerWaalsContact O-N 3.08Å; A301-E349 WeakPolarHBondContact CA-O 3.45Å; A301-E349 HydrophobicContact CB-CB 3.94Å; A301-E349 WeakPolarHBondContact CB-O 3.45Å; A301-E349 PolarHBondContact N-O 3.43Å; A301-E349 PolarHBondContact N-OE2 3.48Å; A301-D351 WeakPolarHBondContact CA-OD2 3.04Å; A301-E381 HydrophobicContact CB-CB 3.65Å; A301-E381 HydrophobicContact CB-CG 3.81Å
302	D	93.5	Very high	94	Very high	59 Å²	59	45.1 Å²	45.1	32%	0.316	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-59	-27.8	176.9	-106	15.2	0	0	0	113.3	Y304 L305 C326 R329 D351	D302-Y304 PolarHBondContact O-N 3.3Å; D302-L305 PolarHBondContact O-N 3.47Å; D302-L305 VanDerWaalsContact O-N 3.13Å; D302-C326 WeakPolarHBondContact OD1-CB 3.29Å; D302-C326 WeakPolarHBondContact OD2-CB 3.5Å; D302-C326 PolarHBondContact OD2-SG 2.69Å; D302-C326 VanDerWaalsContact OD2-SG 3.38Å; D302-R329 IonicContact OD1-CZ 2.63Å; D302-R329 IonicContact OD1-NE 3.38Å; D302-R329 IonicContact OD1-NH2 2.74Å; D302-R329 PolarHBondContact OD1-NH2 3.33Å; D302-D351 PolarHBondContact N-OD2 2.93Å
303	L	92.1	Very high	93.9	Very high	95 Å²	95	50 Å²	50	50%	0.497	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-55.3	-31.2	176.2	-179.2	70.2	0	0	0	112.4	A301 L305 I379 E381	A301-L303 PolarHBondContact O-N 3.16Å; A301-L303 VanDerWaalsContact O-N 3.15Å; L303-L305 VanDerWaalsContact C-N 3.31Å; L303-L305 PolarHBondContact O-N 3.4Å; L303-I379 HydrophobicContact CD2-CG2 4.43Å; L303-E381 HydrophobicContact CD2-CG 4.41Å
304	Y	92.3	Very high	93.7	Very high	88 Å²	88	50.2 Å²	50.2	35%	0.345	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-85.8	-0.4	-176.7	-59.3	-63	0	0	0	113.9	A301 D302 E349 K375 E381	A301-Y304 HydrophobicContact CB-CD2 3.72Å; A301-Y304 HydrophobicContact CB-CE2 3.81Å; A301-Y304 PolarHBondContact O-N 3.05Å; A301-Y304 VanDerWaalsContact O-N 3.08Å; D302-Y304 PolarHBondContact O-N 3.3Å; Y304-E349 WeakPolarHBondContact CD2-OE2 3.41Å; Y304-E349 HydrophobicContact CE2-CB 4.34Å; Y304-E349 VanDerWaalsContact CE2-CD 3.49Å; Y304-E349 HydrophobicContact CE2-CG 3.93Å; Y304-E349 WeakPolarHBondContact CE2-OE2 3.32Å; Y304-K375 PolarHBondContact OH-NZ 3.16Å; Y304-E381 HydrophobicContact CE2-CG 4.1Å; Y304-E381 PolarHBondContact OH-OE1 2.92Å
305	L	91.3	Very high	93.5	Very high	7 Å²	7	58.3 Å²	58.3	4%	0.037	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-104.8	5.5	-171.5	-68.7	176.2	0	0	0	115.5	L300 D302 L303 L307 F316 Q324	L300-L305 HydrophobicContact CD2-CD1 4.42Å; L300-L305 HydrophobicContact CD2-CD2 4.11Å; L300-L305 HydrophobicContact CG-CD1 4.46Å; D302-L305 PolarHBondContact O-N 3.47Å; D302-L305 VanDerWaalsContact O-N 3.13Å; L303-L305 VanDerWaalsContact C-N 3.31Å; L303-L305 PolarHBondContact O-N 3.4Å; L305-L307 VanDerWaalsContact C-N 3.27Å; L305-L307 HydrophobicContact CB-CD2 4.39Å; L305-L307 HydrophobicContact CB-CG 4.3Å; L305-L307 WeakPolarHBondContact O-CA 3.22Å; L305-L307 WeakPolarHBondContact O-CD2 3.44Å; L305-L307 WeakPolarHBondContact O-CG 3.34Å; L305-L307 PolarHBondContact O-N 2.83Å; L305-F316 HydrophobicContact CD2-CD2 3.32Å; L305-F316 HydrophobicContact CD2-CE2 3.41Å; L305-F316 VanDerWaalsContact CD2-CE2 3.41Å; L305-Q324 VanDerWaalsContact CD1-O 3.3Å; L305-Q324 WeakPolarHBondContact CD1-O 3.45Å
306	D	85.7	Confident	93.4	Very high	82 Å²	82	58.4 Å²	58.4	44%	0.439	29%	0.288	S	S	.	.			trans	-15.6	74.8	-167.8	-165	5.4	0	0	0	116.8	K308 L309 L314	D306-K308 PolarHBondContact O-N 3.08Å; D306-K308 WeakPolarHBondContact OD1-CB 3.35Å; D306-K308 PolarHBondContact OD1-N 3.43Å; D306-L309 HydrophobicContact CB-CD1 4.33Å; D306-L309 HydrophobicContact CB-CG 4.47Å; D306-L309 PolarHBondContact O-N 2.91Å; D306-L309 VanDerWaalsContact O-N 3.13Å; D306-L314 VanDerWaalsContact O-CD2 3.27Å; D306-L314 WeakPolarHBondContact O-CD2 3.33Å
307	L	88.9	Confident	93.2	Very high	62 Å²	62	64 Å²	64	33%	0.325	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	11.7	-171.8	-59.2	178.5	0	0	0	112.8	L305 L314 V321 Q324 R325	L305-L307 VanDerWaalsContact C-N 3.27Å; L305-L307 HydrophobicContact CB-CD2 4.39Å; L305-L307 HydrophobicContact CB-CG 4.3Å; L305-L307 WeakPolarHBondContact O-CA 3.22Å; L305-L307 WeakPolarHBondContact O-CD2 3.44Å; L305-L307 WeakPolarHBondContact O-CG 3.34Å; L305-L307 PolarHBondContact O-N 2.83Å; L307-L314 HydrophobicContact CD2-CD1 4.14Å; L307-L314 HydrophobicContact CD2-CD2 4.25Å; L307-V321 HydrophobicContact CD2-CG1 4.39Å; L307-Q324 HydrophobicContact CD1-CB 4.37Å; L307-Q324 HydrophobicContact CD2-CB 3.76Å; L307-R325 HydrophobicContact CD1-CG 3.85Å
308	K	89.7	Confident	93	Very high	193 Å²	193	65 Å²	65	84%	0.839	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-21.4	170.7	-61.8	172.4	-173.5	161.6	0	111.6	D306	D306-K308 PolarHBondContact O-N 3.08Å; D306-K308 WeakPolarHBondContact OD1-CB 3.35Å; D306-K308 PolarHBondContact OD1-N 3.43Å
309	L	89.6	Confident	93	Very high	70 Å²	70	65.2 Å²	65.2	37%	0.366	32%	0.318	S	S	.	.	S	Bend	trans	-68	154	174.8	-64.5	174.8	0	0	0	111	D306 E313 L314	D306-L309 HydrophobicContact CB-CD1 4.33Å; D306-L309 HydrophobicContact CB-CG 4.47Å; D306-L309 PolarHBondContact O-N 2.91Å; D306-L309 VanDerWaalsContact O-N 3.13Å; L309-E313 HydrophobicContact CB-CB 4.3Å; L309-L314 HydrophobicContact CB-CD2 3.93Å
310	P	91.5	Very high	92.8	Very high	55 Å²	55	67.8 Å²	67.8	36%	0.357	33%	0.334	S	S	.	.			trans	-53.6	144.4	167.4	-25	35.4	0	0	0	111.6	D312 E313 L314	P310-D312 VanDerWaalsContact CB-OD1 3.27Å; P310-D312 WeakPolarHBondContact CB-OD1 3.26Å; P310-D312 PolarHBondContact O-N 3.33Å; P310-E313 HydrophobicContact CB-CG 4.37Å; P310-E313 HydrophobicContact CG-CG 4.45Å; P310-E313 PolarHBondContact O-N 2.73Å; P310-L314 PolarHBondContact O-N 2.95Å
311	P	90.7	Very high	92.7	Very high	83 Å²	83	69 Å²	69	54%	0.539	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-30.8	-175.8	-29.3	35.8	0	0	0	115.7	K317 V321	P311-K317 WeakPolarHBondContact O-CB 3.35Å; P311-V321 HydrophobicContact CB-CG2 4.33Å; P311-V321 HydrophobicContact CG-CG2 4.26Å
312	D	92.7	Very high	92.6	Very high	117 Å²	117	73 Å²	73	63%	0.626	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-15.4	179	56.4	-47.7	0	0	0	114.3	P310	P310-D312 VanDerWaalsContact CB-OD1 3.27Å; P310-D312 WeakPolarHBondContact CB-OD1 3.26Å; P310-D312 PolarHBondContact O-N 3.33Å
313	E	93.1	Very high	92.8	Very high	120 Å²	120	73.4 Å²	73.4	56%	0.561	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-7.8	175.4	-65.3	-179	-160.2	0	0	112.8	L309 P310	L309-E313 HydrophobicContact CB-CB 4.3Å; P310-E313 HydrophobicContact CB-CG 4.37Å; P310-E313 HydrophobicContact CG-CG 4.45Å; P310-E313 PolarHBondContact O-N 2.73Å
314	L	93.6	Very high	93	Very high	9 Å²	9	69 Å²	69	5%	0.047	34%	0.335	C	S	.	.	S	Bend	trans	-65.2	145	177.2	-64.2	175.9	0	0	0	111.5	D306 L307 L309 P310 F316 K317 V321	D306-L314 VanDerWaalsContact O-CD2 3.27Å; D306-L314 WeakPolarHBondContact O-CD2 3.33Å; L307-L314 HydrophobicContact CD2-CD1 4.14Å; L307-L314 HydrophobicContact CD2-CD2 4.25Å; L309-L314 HydrophobicContact CB-CD2 3.93Å; P310-L314 PolarHBondContact O-N 2.95Å; L314-F316 VanDerWaalsContact C-N 3.28Å; L314-F316 PolarHBondContact O-N 2.95Å; L314-K317 WeakPolarHBondContact O-CB 2.99Å; L314-K317 PolarHBondContact O-N 2.92Å; L314-K317 VanDerWaalsContact O-N 3.16Å; L314-V321 HydrophobicContact CD1-CG2 3.71Å
315	Y	92.9	Very high	93.2	Very high	171 Å²	171	69.2 Å²	69.2	67%	0.671	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-45.5	175	-174.9	-101.3	0	0	0	111.4	K317	Y315-K317 PolarHBondContact O-N 3.22Å
316	F	95.7	Very high	93.4	Very high	3 Å²	3	69.5 Å²	69.5	1%	0.013	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	47.6	175.5	-53.1	-66.7	0	0	0	112.9	L300 L305 L314 Y318 C319 Q324 T508 P545 D552	L300-F316 HydrophobicContact CD1-CE2 3.94Å; L300-F316 HydrophobicContact CD1-CZ 4.04Å; L300-F316 HydrophobicContact CD2-CE2 3.71Å; L300-F316 HydrophobicContact CD2-CZ 3.97Å; L300-F316 HydrophobicContact CG-CE2 4.43Å; L305-F316 HydrophobicContact CD2-CD2 3.32Å; L305-F316 HydrophobicContact CD2-CE2 3.41Å; L305-F316 VanDerWaalsContact CD2-CE2 3.41Å; L314-F316 VanDerWaalsContact C-N 3.28Å; L314-F316 PolarHBondContact O-N 2.95Å; F316-Y318 HydrophobicContact CB-CE1 4.4Å; F316-Y318 HydrophobicContact CD1-CE1 4.17Å; F316-Y318 AromaticContact CD1-CZ 3.83Å; F316-Y318 VanDerWaalsContact CD1-OH 3.26Å; F316-Y318 WeakPolarHBondContact CD1-OH 3.48Å; F316-Y318 PolarHBondContact O-N 3.09Å; F316-C319 HydrophobicContact CB-CB 4.23Å; F316-C319 WeakPolarHBondContact O-CB 3.34Å; F316-C319 PolarHBondContact O-N 3.15Å; F316-Q324 PolarHBondContact O-NE2 3.08Å; F316-Q324 VanDerWaalsContact O-NE2 3.08Å; F316-T508 HydrophobicContact CE1-CG2 4.19Å; F316-P545 HydrophobicContact CB-CG 4.41Å; F316-P545 HydrophobicContact CD1-CG 4.34Å; F316-P545 HydrophobicContact CD2-CG 4.01Å; F316-P545 HydrophobicContact CE2-CG 4.29Å; F316-P545 HydrophobicContact CG-CG 4.01Å; F316-D552 HydrophobicContact CE1-CB 3.82Å; F316-D552 HydrophobicContact CZ-CB 4.04Å
317	K	94.8	Very high	93.9	Very high	118 Å²	118	66 Å²	66	51%	0.513	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-20.5	-178.8	62.8	-174	177	-171.7	0	115.9	P311 L314 Y315 C319	P311-K317 WeakPolarHBondContact O-CB 3.35Å; L314-K317 WeakPolarHBondContact O-CB 2.99Å; L314-K317 PolarHBondContact O-N 2.92Å; L314-K317 VanDerWaalsContact O-N 3.16Å; Y315-K317 PolarHBondContact O-N 3.22Å; K317-C319 VanDerWaalsContact C-N 3.33Å
318	Y	95.2	Very high	94.3	Very high	21 Å²	21	63.8 Å²	63.8	8%	0.082	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-22.8	173.9	55.2	-92.8	0	0	0	113.1	F316 T508 E509 L544	F316-Y318 HydrophobicContact CB-CE1 4.4Å; F316-Y318 HydrophobicContact CD1-CE1 4.17Å; F316-Y318 AromaticContact CD1-CZ 3.83Å; F316-Y318 VanDerWaalsContact CD1-OH 3.26Å; F316-Y318 WeakPolarHBondContact CD1-OH 3.48Å; F316-Y318 PolarHBondContact O-N 3.09Å; Y318-T508 VanDerWaalsContact OH-CA 3.31Å; Y318-T508 WeakPolarHBondContact OH-CA 3.31Å; Y318-T508 VanDerWaalsContact OH-CB 3.31Å; Y318-T508 WeakPolarHBondContact OH-CB 3.39Å; Y318-E509 HydrophobicContact CD1-CB 3.36Å; Y318-E509 HydrophobicContact CD1-CG 4.3Å; Y318-E509 HydrophobicContact CE1-CB 3.61Å; Y318-E509 HydrophobicContact CG-CB 3.97Å; Y318-L544 PolarHBondContact OH-O 2.84Å
319	C	96.7	Very high	94.7	Very high	5 Å²	5	54.9 Å²	54.9	3%	0.034	27%	0.27	C	S	.	.	S	Bend	trans	-92.7	123.6	178.1	-176	0	0	0	0	109.7	F316 K317 Q324 P545	F316-C319 HydrophobicContact CB-CB 4.23Å; F316-C319 WeakPolarHBondContact O-CB 3.34Å; F316-C319 PolarHBondContact O-N 3.15Å; K317-C319 VanDerWaalsContact C-N 3.33Å; C319-Q324 HydrophobicContact CB-CG 4.07Å; C319-Q324 PolarHBondContact O-NE2 3.11Å; C319-P545 WeakPolarHBondContact CB-O 3.49Å; C319-P545 PolarHBondContact SG-O 3.01Å
320	P	95.8	Very high	95	Very high	59 Å²	59	51.7 Å²	51.7	38%	0.383	25%	0.253	S	S	.	.			trans	-54	140.7	174	-28	34.5	0	0	0	113.4	E322 Y323 Q324	P320-E322 HydrophobicContact CB-CG 4.17Å; P320-E322 WeakPolarHBondContact CB-OE1 3.46Å; P320-E322 WeakPolarHBondContact CB-OE2 3.43Å; P320-E322 PolarHBondContact O-N 2.8Å; P320-E322 VanDerWaalsContact O-N 3.1Å; P320-Y323 HydrophobicContact CB-CD2 3.79Å; P320-Y323 HydrophobicContact CB-CE2 3.97Å; P320-Y323 HydrophobicContact CG-CD2 3.89Å; P320-Y323 HydrophobicContact CG-CE2 3.89Å; P320-Y323 PolarHBondContact O-N 3.43Å; P320-Q324 PolarHBondContact O-N 2.81Å
321	V	95.6	Very high	95.3	Very high	33 Å²	33	49.1 Å²	49.1	20%	0.2	24%	0.237	C	C	.	.	H	α-helix	trans	-54.8	-35.3	-174.8	174.2	0	0	0	0	112.2	L307 P311 L314 Y323 Q324 R325	L307-V321 HydrophobicContact CD2-CG1 4.39Å; P311-V321 HydrophobicContact CB-CG2 4.33Å; P311-V321 HydrophobicContact CG-CG2 4.26Å; L314-V321 HydrophobicContact CD1-CG2 3.71Å; V321-Y323 VanDerWaalsContact C-N 3.26Å; V321-Y323 PolarHBondContact O-N 3.39Å; V321-Q324 PolarHBondContact O-N 3.18Å; V321-R325 WeakPolarHBondContact O-CG 3.41Å; V321-R325 PolarHBondContact O-N 2.79Å
322	E	94.1	Very high	95.7	Very high	84 Å²	84	45.2 Å²	45.2	39%	0.393	21%	0.211	S	C	.	.	H	α-helix	trans	-59.4	-32.8	178	59	-90.7	-146.7	0	0	114.1	P320 Y328	P320-E322 HydrophobicContact CB-CG 4.17Å; P320-E322 WeakPolarHBondContact CB-OE1 3.46Å; P320-E322 WeakPolarHBondContact CB-OE2 3.43Å; P320-E322 PolarHBondContact O-N 2.8Å; P320-E322 VanDerWaalsContact O-N 3.1Å; E322-Y328 WeakPolarHBondContact O-CB 3.25Å
323	Y	96.6	Very high	96	Very high	67 Å²	67	39.9 Å²	39.9	26%	0.263	18%	0.182	S	C	.	.	H	α-helix	trans	-89.6	-17.5	180	-51.5	-44.8	0	0	0	112.7	P320 V321 Y328 R329 V547	P320-Y323 HydrophobicContact CB-CD2 3.79Å; P320-Y323 HydrophobicContact CB-CE2 3.97Å; P320-Y323 HydrophobicContact CG-CD2 3.89Å; P320-Y323 HydrophobicContact CG-CE2 3.89Å; P320-Y323 PolarHBondContact O-N 3.43Å; V321-Y323 VanDerWaalsContact C-N 3.26Å; V321-Y323 PolarHBondContact O-N 3.39Å; Y323-Y328 HydrophobicContact CD1-CD1 4.08Å; Y323-Y328 HydrophobicContact CD1-CD2 4.02Å; Y323-Y328 AromaticContact CD1-CE1 3.7Å; Y323-Y328 HydrophobicContact CD1-CE1 3.7Å; Y323-Y328 AromaticContact CD1-CE2 3.64Å; Y323-Y328 HydrophobicContact CD1-CE2 3.64Å; Y323-Y328 HydrophobicContact CD1-CG 4.24Å; Y323-Y328 AromaticContact CD1-CZ 3.48Å; Y323-Y328 VanDerWaalsContact CD1-CZ 3.48Å; Y323-Y328 HydrophobicContact CE1-CE2 4.01Å; Y323-Y328 HydrophobicContact CG-CE1 4.17Å; Y323-Y328 WeakPolarHBondContact O-CD1 3.19Å; Y323-R329 VanDerWaalsContact O-CG 3.29Å; Y323-R329 WeakPolarHBondContact O-CG 3.3Å; Y323-V547 HydrophobicContact CD1-CB 4.26Å; Y323-V547 HydrophobicContact CD1-CG2 4.1Å; Y323-V547 HydrophobicContact CD2-CB 3.79Å; Y323-V547 HydrophobicContact CD2-CG2 4.34Å; Y323-V547 HydrophobicContact CE1-CB 4.17Å; Y323-V547 HydrophobicContact CE1-CG2 3.66Å; Y323-V547 HydrophobicContact CE2-CB 3.69Å; Y323-V547 HydrophobicContact CE2-CG2 3.94Å; Y323-V547 HydrophobicContact CG-CB 4.08Å; Y323-V547 HydrophobicContact CG-CG2 4.42Å
324	Q	97.3	Very high	96.2	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	16%	0.156	C	C	.	.	H	α-helix	trans	-78.4	-21.3	171.5	-60.5	-173.9	51.1	0	0	112.7	L305 L307 F316 C319 P320 V321 C326 R329	L305-Q324 VanDerWaalsContact CD1-O 3.3Å; L305-Q324 WeakPolarHBondContact CD1-O 3.45Å; L307-Q324 HydrophobicContact CD1-CB 4.37Å; L307-Q324 HydrophobicContact CD2-CB 3.76Å; F316-Q324 PolarHBondContact O-NE2 3.08Å; F316-Q324 VanDerWaalsContact O-NE2 3.08Å; C319-Q324 HydrophobicContact CB-CG 4.07Å; C319-Q324 PolarHBondContact O-NE2 3.11Å; P320-Q324 PolarHBondContact O-N 2.81Å; V321-Q324 PolarHBondContact O-N 3.18Å; Q324-C326 PolarHBondContact O-N 3.45Å; Q324-R329 VanDerWaalsContact O-CD 3.24Å; Q324-R329 WeakPolarHBondContact O-CD 3.42Å; Q324-R329 PolarHBondContact O-NE 3.29Å; Q324-R329 VanDerWaalsContact O-NE 3.09Å
325	R	95.7	Very high	96.4	Very high	94 Å²	94	35.1 Å²	35.1	36%	0.355	16%	0.161	S	C	.	.	S	Bend	trans	-60.6	139.3	-176.7	-75.9	171.7	-177.4	134	3.9	112.3	R264 L307 V321 G327 Y328 R329	R264-R325 VanDerWaalsContact NH2-CD 3.34Å; L307-R325 HydrophobicContact CD1-CG 3.85Å; V321-R325 WeakPolarHBondContact O-CG 3.41Å; V321-R325 PolarHBondContact O-N 2.79Å; R325-G327 VanDerWaalsContact C-N 3.26Å; R325-G327 PolarHBondContact O-N 3.37Å; R325-G327 VanDerWaalsContact O-N 3.13Å; R325-Y328 PolarHBondContact O-N 3.03Å; R325-R329 PolarHBondContact O-N 2.8Å; R325-R329 VanDerWaalsContact O-N 3.09Å
326	C	95.3	Very high	96.6	Very high	13 Å²	13	27 Å²	27	9%	0.088	13%	0.129	C	C	.	.	H	α-helix	trans	-41.1	-51.9	174.2	-171.1	0	0	0	0	113.3	D302 Q324 Y328 R329 T330	D302-C326 WeakPolarHBondContact OD1-CB 3.29Å; D302-C326 WeakPolarHBondContact OD2-CB 3.5Å; D302-C326 PolarHBondContact OD2-SG 2.69Å; D302-C326 VanDerWaalsContact OD2-SG 3.38Å; Q324-C326 PolarHBondContact O-N 3.45Å; C326-Y328 VanDerWaalsContact C-N 3.34Å; C326-Y328 PolarHBondContact O-N 3.21Å; C326-R329 PolarHBondContact O-N 3.26Å; C326-T330 WeakPolarHBondContact O-CB 3.34Å; C326-T330 PolarHBondContact O-N 3.33Å; C326-T330 PolarHBondContact O-OG1 3.26Å
327	G	95.8	Very high	96.8	Very high	9 Å²	9	26.8 Å²	26.8	9%	0.093	13%	0.128	C	C	.	.	H	α-helix	trans	-60.2	-41.4	-176.7	0	0	0	0	0	113.2	E165 C166 D167 R325 S331	E165-G327 WeakPolarHBondContact O-CA 3.44Å; C166-G327 WeakPolarHBondContact CA-O 3.31Å; D167-G327 PolarHBondContact N-O 2.93Å; R325-G327 VanDerWaalsContact C-N 3.26Å; R325-G327 PolarHBondContact O-N 3.37Å; R325-G327 VanDerWaalsContact O-N 3.13Å; G327-S331 PolarHBondContact O-N 3.06Å; G327-S331 PolarHBondContact O-OG 3.37Å
328	Y	97.6	Very high	96.9	Very high	15 Å²	15	22 Å²	22	6%	0.059	11%	0.109	C	C	.	.	H	α-helix	trans	-67.3	-52.5	177.2	-173.6	-91	0	0	0	111.5	M169 E322 Y323 R325 C326 T330 S331 L332 V547	M169-Y328 HydrophobicContact CE-CD2 3.77Å; M169-Y328 HydrophobicContact CE-CE2 3.87Å; M169-Y328 HydrophobicContact CE-CG 4.49Å; M169-Y328 HydrophobicContact SD-CD2 3.86Å; M169-Y328 HydrophobicContact SD-CE2 3.58Å; M169-Y328 VanDerWaalsContact SD-CE2 3.58Å; E322-Y328 WeakPolarHBondContact O-CB 3.25Å; Y323-Y328 HydrophobicContact CD1-CD1 4.08Å; Y323-Y328 HydrophobicContact CD1-CD2 4.02Å; Y323-Y328 AromaticContact CD1-CE1 3.7Å; Y323-Y328 HydrophobicContact CD1-CE1 3.7Å; Y323-Y328 AromaticContact CD1-CE2 3.64Å; Y323-Y328 HydrophobicContact CD1-CE2 3.64Å; Y323-Y328 HydrophobicContact CD1-CG 4.24Å; Y323-Y328 AromaticContact CD1-CZ 3.48Å; Y323-Y328 VanDerWaalsContact CD1-CZ 3.48Å; Y323-Y328 HydrophobicContact CE1-CE2 4.01Å; Y323-Y328 HydrophobicContact CG-CE1 4.17Å; Y323-Y328 WeakPolarHBondContact O-CD1 3.19Å; R325-Y328 PolarHBondContact O-N 3.03Å; C326-Y328 VanDerWaalsContact C-N 3.34Å; C326-Y328 PolarHBondContact O-N 3.21Å; Y328-T330 VanDerWaalsContact C-N 3.32Å; Y328-T330 PolarHBondContact O-N 3.34Å; Y328-S331 WeakPolarHBondContact O-CB 3.23Å; Y328-S331 PolarHBondContact O-N 3Å; Y328-S331 VanDerWaalsContact O-N 3.16Å; Y328-L332 HydrophobicContact CD1-CD1 4.33Å; Y328-L332 HydrophobicContact CD1-CG 4.39Å; Y328-L332 HydrophobicContact CE1-CD1 3.65Å; Y328-L332 HydrophobicContact CE1-CD2 4.39Å; Y328-L332 HydrophobicContact CE1-CG 4.03Å; Y328-L332 PolarHBondContact O-N 2.88Å; Y328-V547 WeakPolarHBondContact OH-CG2 3.47Å; Y328-V547 PolarHBondContact OH-O 2.77Å
329	R	97.8	Very high	96.9	Very high	6 Å²	6	21.8 Å²	21.8	2%	0.023	11%	0.114	C	C	.	.	H	α-helix	trans	-60.7	-42.4	-179.3	-60.5	-175.5	-46.8	109	-6.8	111.6	I299 L300 D302 Y323 Q324 R325 C326 S331 L332 L333 P550	I299-R329 PolarHBondContact O-NH1 3.1Å; L300-R329 VanDerWaalsContact O-CZ 3.31Å; L300-R329 PolarHBondContact O-NH1 2.8Å; L300-R329 PolarHBondContact O-NH2 2.95Å; D302-R329 IonicContact OD1-CZ 2.63Å; D302-R329 IonicContact OD1-NE 3.38Å; D302-R329 IonicContact OD1-NH2 2.74Å; D302-R329 PolarHBondContact OD1-NH2 3.33Å; Y323-R329 VanDerWaalsContact O-CG 3.29Å; Y323-R329 WeakPolarHBondContact O-CG 3.3Å; Q324-R329 VanDerWaalsContact O-CD 3.24Å; Q324-R329 WeakPolarHBondContact O-CD 3.42Å; Q324-R329 PolarHBondContact O-NE 3.29Å; Q324-R329 VanDerWaalsContact O-NE 3.09Å; R325-R329 PolarHBondContact O-N 2.8Å; R325-R329 VanDerWaalsContact O-N 3.09Å; C326-R329 PolarHBondContact O-N 3.26Å; R329-S331 VanDerWaalsContact C-N 3.33Å; R329-S331 PolarHBondContact O-N 3.09Å; R329-L332 PolarHBondContact O-N 3.32Å; R329-L332 VanDerWaalsContact O-N 3.15Å; R329-L333 WeakPolarHBondContact O-CB 3.29Å; R329-L333 WeakPolarHBondContact O-CG 3.35Å; R329-L333 PolarHBondContact O-N 2.6Å; R329-P550 HydrophobicContact CB-CB 3.91Å; R329-P550 VanDerWaalsContact CD-O 3.28Å; R329-P550 WeakPolarHBondContact CD-O 3.43Å; R329-P550 HydrophobicContact CG-CB 4.36Å; R329-P550 PolarHBondContact NH1-O 3.26Å
330	T	97.4	Very high	96.9	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.018	11%	0.112	C	C	.	.	H	α-helix	trans	-58.8	-43.6	176.5	-61.9	0	0	0	0	111.4	C166 C326 Y328 L332 L333 M334 L358	C166-T330 HydrophobicContact CB-CG2 4.13Å; C326-T330 WeakPolarHBondContact O-CB 3.34Å; C326-T330 PolarHBondContact O-N 3.33Å; C326-T330 PolarHBondContact O-OG1 3.26Å; Y328-T330 VanDerWaalsContact C-N 3.32Å; Y328-T330 PolarHBondContact O-N 3.34Å; T330-L332 VanDerWaalsContact C-N 3.31Å; T330-L332 PolarHBondContact O-N 3.09Å; T330-L333 PolarHBondContact O-N 3.48Å; T330-M334 HydrophobicContact CG2-CG 4.11Å; T330-M334 HydrophobicContact CG2-SD 3.73Å; T330-M334 VanDerWaalsContact O-CB 3.28Å; T330-M334 WeakPolarHBondContact O-CB 3.35Å; T330-M334 WeakPolarHBondContact O-CG 3.44Å; T330-M334 PolarHBondContact O-N 3.38Å; T330-L358 HydrophobicContact CG2-CD2 3.31Å
331	S	97.7	Very high	96.9	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	12%	0.12	C	C	.	.	H	α-helix	trans	-60.3	-40.1	176.4	-59	0	0	0	0	112.4	C166 D167 G327 Y328 R329 N335	C166-S331 VanDerWaalsContact CB-OG 3.3Å; C166-S331 WeakPolarHBondContact CB-OG 3.48Å; D167-S331 PolarHBondContact N-OG 2.68Å; D167-S331 WeakPolarHBondContact O-CB 3.3Å; D167-S331 PolarHBondContact O-OG 2.8Å; G327-S331 PolarHBondContact O-N 3.06Å; G327-S331 PolarHBondContact O-OG 3.37Å; Y328-S331 WeakPolarHBondContact O-CB 3.23Å; Y328-S331 PolarHBondContact O-N 3Å; Y328-S331 VanDerWaalsContact O-N 3.16Å; R329-S331 VanDerWaalsContact C-N 3.33Å; R329-S331 PolarHBondContact O-N 3.09Å; S331-N335 PolarHBondContact O-ND2 3.13Å
332	L	98.4	Very high	97	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-68.6	-52.3	177	-60.9	-159.7	0	0	0	111	M169 L172 P270 W275 Y328 R329 T330 M334 N335 E336 P550	M169-L332 HydrophobicContact CE-CD2 4.41Å; L172-L332 HydrophobicContact CD1-CD2 3.61Å; P270-L332 HydrophobicContact CG-CD2 4.06Å; W275-L332 HydrophobicContact CH2-CB 3.54Å; W275-L332 HydrophobicContact CH2-CD1 4.02Å; W275-L332 HydrophobicContact CH2-CD2 3.93Å; W275-L332 HydrophobicContact CH2-CG 3.99Å; W275-L332 HydrophobicContact CZ3-CB 4.01Å; W275-L332 HydrophobicContact CZ3-CD1 4.27Å; Y328-L332 HydrophobicContact CD1-CD1 4.33Å; Y328-L332 HydrophobicContact CD1-CG 4.39Å; Y328-L332 HydrophobicContact CE1-CD1 3.65Å; Y328-L332 HydrophobicContact CE1-CD2 4.39Å; Y328-L332 HydrophobicContact CE1-CG 4.03Å; Y328-L332 PolarHBondContact O-N 2.88Å; R329-L332 PolarHBondContact O-N 3.32Å; R329-L332 VanDerWaalsContact O-N 3.15Å; T330-L332 VanDerWaalsContact C-N 3.31Å; T330-L332 PolarHBondContact O-N 3.09Å; L332-M334 VanDerWaalsContact C-N 3.31Å; L332-M334 PolarHBondContact O-N 3Å; L332-N335 PolarHBondContact O-N 2.92Å; L332-E336 WeakPolarHBondContact O-CB 3.44Å; L332-E336 PolarHBondContact O-N 2.91Å; L332-P550 HydrophobicContact CB-CB 3.85Å; L332-P550 HydrophobicContact CB-CG 3.89Å; L332-P550 HydrophobicContact CD1-CB 4.3Å
333	L	98.5	Very high	97.1	Very high	5 Å²	5	20 Å²	20	3%	0.026	10%	0.097	C	C	.	.	H	α-helix	trans	-57.2	-41.3	-179.5	-72.5	169.1	0	0	0	112.6	Y297 I299 R329 T330 N335 E336 I337 W359 P550	Y297-L333 HydrophobicContact CD1-CD2 4.44Å; Y297-L333 HydrophobicContact CE1-CD2 3.49Å; Y297-L333 VanDerWaalsContact CE1-CD2 3.49Å; I299-L333 HydrophobicContact CB-CD1 4.1Å; I299-L333 HydrophobicContact CB-CD2 4.12Å; I299-L333 HydrophobicContact CG2-CD2 3.99Å; R329-L333 WeakPolarHBondContact O-CB 3.29Å; R329-L333 WeakPolarHBondContact O-CG 3.35Å; R329-L333 PolarHBondContact O-N 2.6Å; T330-L333 PolarHBondContact O-N 3.48Å; L333-N335 PolarHBondContact O-N 3.18Å; L333-E336 PolarHBondContact O-N 2.94Å; L333-I337 HydrophobicContact CB-CD1 4.33Å; L333-I337 HydrophobicContact CD2-CD1 4.32Å; L333-I337 WeakPolarHBondContact O-CB 3.27Å; L333-I337 WeakPolarHBondContact O-CG1 3.36Å; L333-I337 PolarHBondContact O-N 3.21Å; L333-W359 HydrophobicContact CB-CH2 3.5Å; L333-W359 HydrophobicContact CB-CZ2 4.22Å; L333-W359 HydrophobicContact CB-CZ3 4.38Å; L333-W359 HydrophobicContact CD1-CH2 4.2Å; L333-W359 HydrophobicContact CD1-CZ2 4.07Å; L333-W359 HydrophobicContact CG-CH2 4.48Å; L333-P550 HydrophobicContact CD1-CB 4.4Å; L333-P550 HydrophobicContact CD2-CB 4.12Å; L333-P550 HydrophobicContact CD2-CG 3.46Å; L333-P550 VanDerWaalsContact CD2-CG 3.46Å; L333-P550 HydrophobicContact CG-CB 3.76Å; L333-P550 HydrophobicContact CG-CG 3.56Å
334	M	97.9	Very high	97.2	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-62.4	-23.3	177	-79.2	176.3	56.2	0	0	113.4	C166 Y175 T330 L332 P338 L358 W359 F362	C166-M334 HydrophobicContact CB-SD 3.93Å; Y175-M334 HydrophobicContact CG-CE 4.49Å; T330-M334 HydrophobicContact CG2-CG 4.11Å; T330-M334 HydrophobicContact CG2-SD 3.73Å; T330-M334 VanDerWaalsContact O-CB 3.28Å; T330-M334 WeakPolarHBondContact O-CB 3.35Å; T330-M334 WeakPolarHBondContact O-CG 3.44Å; T330-M334 PolarHBondContact O-N 3.38Å; L332-M334 VanDerWaalsContact C-N 3.31Å; L332-M334 PolarHBondContact O-N 3Å; M334-P338 VanDerWaalsContact O-CD 3.27Å; M334-P338 WeakPolarHBondContact O-CD 3.35Å; M334-P338 WeakPolarHBondContact O-CG 3.35Å; M334-L358 HydrophobicContact SD-CD1 3.95Å; M334-L358 HydrophobicContact SD-CD2 4.15Å; M334-W359 HydrophobicContact CG-CH2 4.15Å; M334-W359 HydrophobicContact CG-CZ3 3.99Å; M334-F362 HydrophobicContact CB-CE1 3.82Å; M334-F362 HydrophobicContact CB-CZ 3.96Å; M334-F362 HydrophobicContact CE-CD2 4.13Å; M334-F362 HydrophobicContact CE-CE1 4.38Å; M334-F362 HydrophobicContact CE-CE2 3.81Å; M334-F362 HydrophobicContact CE-CZ 3.94Å; M334-F362 HydrophobicContact CG-CD1 4.18Å; M334-F362 HydrophobicContact CG-CE1 3.89Å; M334-F362 HydrophobicContact CG-CZ 4.28Å; M334-F362 VanDerWaalsContact O-CE1 3.3Å; M334-F362 WeakPolarHBondContact O-CE1 3.4Å; M334-F362 VanDerWaalsContact O-CZ 3.25Å; M334-F362 WeakPolarHBondContact O-CZ 3.28Å
335	N	97.6	Very high	97.2	Very high	28 Å²	28	17.9 Å²	17.9	15%	0.15	9%	0.09	C	C	.	.	H	α-helix	trans	-97.7	-34.4	176.4	-69.9	-87.9	0	0	0	111.2	L172 S173 H279 S331 L332 L333	L172-N335 HydrophobicContact CD2-CB 3.93Å; S173-N335 WeakPolarHBondContact CB-OD1 2.89Å; S173-N335 PolarHBondContact N-ND2 3.32Å; S173-N335 PolarHBondContact N-OD1 3.4Å; S173-N335 PolarHBondContact OG-OD1 2.7Å; H279-N335 PolarHBondContact CE1-O 3.46Å; H279-N335 VanDerWaalsContact CE1-O 3.25Å; S331-N335 PolarHBondContact O-ND2 3.13Å; L332-N335 PolarHBondContact O-N 2.92Å; L333-N335 PolarHBondContact O-N 3.18Å
336	E	98.1	Very high	97.3	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-64.8	-58.1	177.5	177.8	164.9	-154.2	0	0	112.5	W275 R278 H279 Y297 L332 L333 G339 Y340	W275-E336 HydrophobicContact CB-CB 4.46Å; W275-E336 HydrophobicContact CB-CG 3.83Å; W275-E336 HydrophobicContact CD2-CB 3.63Å; W275-E336 HydrophobicContact CD2-CG 3.86Å; W275-E336 HydrophobicContact CE3-CB 3.74Å; W275-E336 VanDerWaalsContact CE3-CD 3.43Å; W275-E336 HydrophobicContact CE3-CG 3.84Å; W275-E336 HydrophobicContact CG-CB 3.98Å; W275-E336 HydrophobicContact CG-CG 3.89Å; W275-E336 HydrophobicContact CZ3-CB 4.27Å; R278-E336 IonicContact NH2-OE1 3.76Å; R278-E336 PolarHBondContact NH2-OE1 3.46Å; H279-E336 PolarHBondContact CE1-O 2.88Å; H279-E336 PolarHBondContact NE2-O 2.73Å; Y297-E336 PolarHBondContact OH-OE2 2.93Å; L332-E336 WeakPolarHBondContact O-CB 3.44Å; L332-E336 PolarHBondContact O-N 2.91Å; L333-E336 PolarHBondContact O-N 2.94Å; E336-G339 PolarHBondContact O-N 2.99Å; E336-Y340 HydrophobicContact CG-CE2 3.49Å; E336-Y340 VanDerWaalsContact CG-CE2 3.49Å; E336-Y340 VanDerWaalsContact O-CD2 3.3Å; E336-Y340 WeakPolarHBondContact O-CD2 3.47Å; E336-Y340 WeakPolarHBondContact O-CE2 3.14Å; E336-Y340 PolarHBondContact OE1-OH 2.76Å
337	I	98.5	Very high	97.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-58.8	-57.1	-170.2	-67.9	172	0	0	0	112.8	M295 Y297 I299 L333 G339 Y340 I345 L347 W359 L363	M295-I337 HydrophobicContact CE-CB 4.38Å; M295-I337 HydrophobicContact CE-CG1 4.18Å; M295-I337 HydrophobicContact CE-CG2 3.79Å; Y297-I337 HydrophobicContact CD1-CG1 4.27Å; Y297-I337 HydrophobicContact CE1-CG1 4.49Å; I299-I337 HydrophobicContact CG2-CD1 4.23Å; L333-I337 HydrophobicContact CB-CD1 4.33Å; L333-I337 HydrophobicContact CD2-CD1 4.32Å; L333-I337 WeakPolarHBondContact O-CB 3.27Å; L333-I337 WeakPolarHBondContact O-CG1 3.36Å; L333-I337 PolarHBondContact O-N 3.21Å; I337-G339 PolarHBondContact O-N 2.75Å; I337-Y340 PolarHBondContact O-N 3.43Å; I337-I345 HydrophobicContact CG2-CD1 4.11Å; I337-L347 HydrophobicContact CD1-CD1 4.45Å; I337-L347 HydrophobicContact CD1-CD2 4.47Å; I337-W359 HydrophobicContact CD1-CH2 4.41Å; I337-W359 HydrophobicContact CD1-CZ3 4.14Å; I337-L363 HydrophobicContact CG2-CD1 4.38Å; I337-L363 HydrophobicContact CG2-CD2 3.97Å
338	P	96.7	Very high	97.5	Very high	17 Å²	17	13.6 Å²	13.6	11%	0.11	7%	0.072	C	C	.	.	H	α-helix	trans	-68.1	-24.3	-177.2	25.8	-34.1	0	0	0	113	M334 Y340 K341 F362 F366	M334-P338 VanDerWaalsContact O-CD 3.27Å; M334-P338 WeakPolarHBondContact O-CD 3.35Å; M334-P338 WeakPolarHBondContact O-CG 3.35Å; P338-Y340 PolarHBondContact O-N 3.41Å; P338-K341 PolarHBondContact O-N 3.26Å; P338-K341 VanDerWaalsContact O-N 3.09Å; P338-F362 HydrophobicContact CG-CE1 4.12Å; P338-F362 HydrophobicContact CG-CZ 4.3Å; P338-F366 HydrophobicContact CB-CD1 3.71Å; P338-F366 HydrophobicContact CB-CD2 3.94Å; P338-F366 HydrophobicContact CB-CE1 3.63Å; P338-F366 HydrophobicContact CB-CE2 3.88Å; P338-F366 HydrophobicContact CB-CG 3.86Å; P338-F366 HydrophobicContact CB-CZ 3.72Å; P338-F366 HydrophobicContact CG-CE1 4.24Å; P338-F366 HydrophobicContact CG-CE2 4.12Å; P338-F366 HydrophobicContact CG-CZ 3.91Å
339	G	96.1	Very high	97.5	Very high	17 Å²	17	14.2 Å²	14.2	18%	0.175	8%	0.075	C	C	.	.	H	α-helix	trans	-67.6	-19.9	-179.6	0	0	0	0	0	114.2	E336 I337 K341	E336-G339 PolarHBondContact O-N 2.99Å; I337-G339 PolarHBondContact O-N 2.75Å; G339-K341 VanDerWaalsContact C-N 3.26Å; G339-K341 PolarHBondContact O-N 3.28Å
340	Y	97.2	Very high	97.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-19.4	172.6	-65.5	-54.1	0	0	0	113.9	W275 R278 H279 C282 R293 M295 E336 I337 P338 A342 P555 L557	W275-Y340 HydrophobicContact CB-CE1 4.35Å; W275-Y340 VanDerWaalsContact CB-OH 3.22Å; W275-Y340 WeakPolarHBondContact CB-OH 3.31Å; R278-Y340 HydrophobicContact CB-CE1 3.76Å; R278-Y340 PolarHBondContact NE-OH 2.89Å; R278-Y340 PolarHBondContact NH2-OH 3.41Å; H279-Y340 AromaticContact CD2-CD1 3.54Å; H279-Y340 AromaticContact CD2-CE1 3.49Å; H279-Y340 VanDerWaalsContact CD2-CE1 3.49Å; H279-Y340 WeakPolarHBondContact CD2-CE1 3.31Å; H279-Y340 AromaticContact NE2-CD1 3.99Å; H279-Y340 AromaticContact NE2-CE1 3.88Å; C282-Y340 WeakPolarHBondContact CB-O 3.04Å; R293-Y340 WeakPolarHBondContact CD-O 3.12Å; R293-Y340 PolarHBondContact NH1-O 3.4Å; M295-Y340 HydrophobicContact SD-CD2 3.41Å; M295-Y340 WeakPolarHBondContact SD-CD2 3.44Å; M295-Y340 HydrophobicContact SD-CE2 3.93Å; M295-Y340 HydrophobicContact SD-CG 4.3Å; E336-Y340 HydrophobicContact CG-CE2 3.49Å; E336-Y340 VanDerWaalsContact CG-CE2 3.49Å; E336-Y340 VanDerWaalsContact O-CD2 3.3Å; E336-Y340 WeakPolarHBondContact O-CD2 3.47Å; E336-Y340 WeakPolarHBondContact O-CE2 3.14Å; E336-Y340 PolarHBondContact OE1-OH 2.76Å; I337-Y340 PolarHBondContact O-N 3.43Å; P338-Y340 PolarHBondContact O-N 3.41Å; Y340-A342 PolarHBondContact O-N 2.73Å; Y340-P555 HydrophobicContact CE2-CB 4.48Å; Y340-P555 HydrophobicContact CE2-CG 3.83Å; Y340-L557 HydrophobicContact CD1-CD1 3.54Å; Y340-L557 HydrophobicContact CD1-CD2 3.79Å; Y340-L557 HydrophobicContact CD1-CG 4.33Å; Y340-L557 HydrophobicContact CD2-CD1 4.25Å; Y340-L557 HydrophobicContact CD2-CD2 4.12Å; Y340-L557 HydrophobicContact CE1-CD1 3.37Å; Y340-L557 HydrophobicContact CE1-CD2 4.47Å; Y340-L557 HydrophobicContact CE2-CD1 4.05Å; Y340-L557 HydrophobicContact CG-CD1 4Å; Y340-L557 HydrophobicContact CG-CD2 3.61Å; Y340-L557 HydrophobicContact CG-CG 4.44Å
341	K	95.6	Very high	97.4	Very high	126 Å²	126	14.8 Å²	14.8	55%	0.548	8%	0.078	S	C	.	.			trans	52.3	43.4	-175.1	-54.8	-177.6	176.3	-175.4	0	111.8	P338 G339	P338-K341 PolarHBondContact O-N 3.26Å; P338-K341 VanDerWaalsContact O-N 3.09Å; G339-K341 VanDerWaalsContact C-N 3.26Å; G339-K341 PolarHBondContact O-N 3.28Å
342	A	97.2	Very high	97.2	Very high	7 Å²	7	18.1 Å²	18.1	6%	0.058	10%	0.095	C	C	.	.			trans	-72.3	143.3	176.9	0	0	0	0	0	110.7	R293 M295 Y340 I345	R293-A342 HydrophobicContact CG-CB 4.18Å; M295-A342 HydrophobicContact CB-CB 3.86Å; Y340-A342 PolarHBondContact O-N 2.73Å; A342-I345 HydrophobicContact CB-CD1 4.09Å; A342-I345 HydrophobicContact CB-CG1 3.59Å
343	D	96.8	Very high	96.9	Very high	10 Å²	10	27.3 Å²	27.3	5%	0.053	13%	0.129	C	C	.	.	S	Bend	trans	-91.9	-26.3	177.1	-64.1	-65.1	0	0	0	112.3	I292 R293 F387 N388 K391 F392	I292-D343 HydrophobicContact CG2-CB 4.06Å; R293-D343 PolarHBondContact N-OD2 2.94Å; R293-D343 PolarHBondContact O-N 2.98Å; D343-F387 CarbonylContact O-C 3.58Å; D343-F387 VanDerWaalsContact O-CA 3.31Å; D343-F387 WeakPolarHBondContact O-CA 3.3Å; D343-N388 HydrophobicContact CB-CB 4.15Å; D343-N388 PolarHBondContact O-N 2.9Å; D343-N388 PolarHBondContact OD1-ND2 2.71Å; D343-K391 HydrophobicContact CB-CD 4.15Å; D343-K391 VanDerWaalsContact CG-NZ 3.27Å; D343-K391 WeakPolarHBondContact OD1-CD 3.19Å; D343-K391 VanDerWaalsContact OD1-CE 3.31Å; D343-K391 WeakPolarHBondContact OD1-CE 3.24Å; D343-K391 IonicContact OD1-NZ 3.36Å; D343-K391 PolarHBondContact OD1-NZ 3.18Å; D343-K391 IonicContact OD2-NZ 2.73Å; D343-K391 PolarHBondContact OD2-NZ 3.01Å; D343-F392 HydrophobicContact CB-CE2 4.2Å
344	L	97.2	Very high	96.8	Very high	23 Å²	23	27.8 Å²	27.8	12%	0.12	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125.8	175.2	-178.7	60.6	0	0	0	108	I292 R293 L294 M295 I385 F386 F387 L447	I292-L344 HydrophobicContact CG2-CB 4.02Å; R293-L344 PolarHBondContact O-N 3.43Å; R293-L344 VanDerWaalsContact O-N 3.08Å; L294-L344 CarbonylContact C-O 3.55Å; L294-L344 WeakPolarHBondContact CA-O 3.28Å; L294-L344 HydrophobicContact CD1-CB 4.09Å; L294-L344 HydrophobicContact CD1-CD2 3.9Å; L294-L344 HydrophobicContact CD1-CG 3.82Å; M295-L344 PolarHBondContact N-O 2.91Å; L344-I385 HydrophobicContact CD1-CG2 3.82Å; L344-F386 CarbonylContact C-O 3.6Å; L344-F386 WeakPolarHBondContact CA-O 2.92Å; L344-F387 HydrophobicContact CD1-CB 4.25Å; L344-L447 HydrophobicContact CD2-CD1 3.82Å
345	I	98.2	Very high	96.7	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	121.4	-174.7	-63.3	172	0	0	0	108.2	M295 I337 A342 L347 L368 I385 F386	M295-I345 HydrophobicContact CB-CG1 4.26Å; M295-I345 HydrophobicContact CE-CB 4.17Å; M295-I345 HydrophobicContact CE-CD1 4.17Å; M295-I345 HydrophobicContact CE-CG1 3.97Å; M295-I345 HydrophobicContact CE-CG2 3.32Å; M295-I345 CarbonylContact O-C 3.51Å; M295-I345 WeakPolarHBondContact O-CA 3.21Å; I337-I345 HydrophobicContact CG2-CD1 4.11Å; A342-I345 HydrophobicContact CB-CD1 4.09Å; A342-I345 HydrophobicContact CB-CG1 3.59Å; I345-L347 HydrophobicContact CG2-CD1 4.33Å; I345-L347 HydrophobicContact CG2-CD2 3.48Å; I345-L347 VanDerWaalsContact CG2-CD2 3.48Å; I345-L347 HydrophobicContact CG2-CG 3.69Å; I345-L368 HydrophobicContact CD1-CD1 3.64Å; I345-L368 HydrophobicContact CD1-CD2 4.48Å; I345-I385 CarbonylContact O-C 3.55Å; I345-I385 WeakPolarHBondContact O-CA 3.28Å; I345-F386 HydrophobicContact CB-CB 4.11Å; I345-F386 PolarHBondContact N-O 3.05Å; I345-F386 PolarHBondContact O-N 2.86Å
346	C	98.1	Very high	96.5	Very high	12 Å²	12	32.4 Å²	32.4	8%	0.081	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	112.5	174.6	-60.1	0	0	0	0	108.5	M295 S296 Y297 Q348 C449	M295-C346 PolarHBondContact O-N 3Å; S296-C346 CarbonylContact C-O 3.52Å; S296-C346 VanDerWaalsContact CA-O 3.27Å; S296-C346 WeakPolarHBondContact CA-O 3.3Å; Y297-C346 PolarHBondContact N-O 3.3Å; C346-Q348 PolarHBondContact O-NE2 3.11Å; C346-C449 HydrophobicContact CB-CB 3.91Å
347	L	98.2	Very high	96.2	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140.5	179	-54.8	-178.3	0	0	0	111.1	M295 Y297 I299 I337 I345 V350 L383 A384 F386	M295-L347 HydrophobicContact CE-CD2 3.9Å; Y297-L347 VanDerWaalsContact O-CA 3.28Å; Y297-L347 WeakPolarHBondContact O-CA 3.11Å; I299-L347 HydrophobicContact CD1-CD1 4.46Å; I299-L347 HydrophobicContact CG2-CD2 4.01Å; I337-L347 HydrophobicContact CD1-CD1 4.45Å; I337-L347 HydrophobicContact CD1-CD2 4.47Å; I345-L347 HydrophobicContact CG2-CD1 4.33Å; I345-L347 HydrophobicContact CG2-CD2 3.48Å; I345-L347 VanDerWaalsContact CG2-CD2 3.48Å; I345-L347 HydrophobicContact CG2-CG 3.69Å; L347-V350 HydrophobicContact CB-CG2 3.44Å; L347-V350 VanDerWaalsContact CB-CG2 3.44Å; L347-V350 HydrophobicContact CD1-CG2 4.29Å; L347-L383 WeakPolarHBondContact O-CA 3.32Å; L347-A384 HydrophobicContact CB-CB 4.33Å; L347-A384 PolarHBondContact N-O 3.15Å; L347-A384 PolarHBondContact O-N 3.26Å; L347-F386 HydrophobicContact CD1-CD2 4.29Å; L347-F386 HydrophobicContact CD1-CE2 3.95Å
348	Q	97.1	Very high	96.2	Very high	14 Å²	14	33 Å²	33	7%	0.065	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	155.4	172.6	-55.7	73.8	44.3	0	0	109.9	S296 Y297 N298 I299 C346 V350 L383	S296-Q348 PolarHBondContact OG-NE2 3.01Å; Y297-Q348 PolarHBondContact O-N 3.3Å; Y297-Q348 PolarHBondContact O-OE1 3.32Å; N298-Q348 HydrophobicContact CB-CB 4.03Å; I299-Q348 WeakPolarHBondContact CG1-O 3.3Å; I299-Q348 PolarHBondContact N-O 3.23Å; C346-Q348 PolarHBondContact O-NE2 3.11Å; Q348-V350 PolarHBondContact O-N 3.03Å; Q348-L383 HydrophobicContact CB-CD2 4.11Å; Q348-L383 HydrophobicContact CG-CD2 3.85Å
349	E	96.5	Very high	96.2	Very high	28 Å²	28	32.2 Å²	32.2	13%	0.131	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.5	44.9	-178.4	-56.1	-171.5	-165.9	0	0	114.6	N298 L300 A301 Y304 E381 G382	N298-E349 VanDerWaalsContact ND2-CD 3.28Å; N298-E349 PolarHBondContact ND2-OE1 2.82Å; N298-E349 WeakPolarHBondContact OD1-CB 3.43Å; N298-E349 VanDerWaalsContact OD1-CG 3.31Å; N298-E349 WeakPolarHBondContact OD1-CG 3.48Å; L300-E349 WeakPolarHBondContact CA-OE2 3.19Å; A301-E349 WeakPolarHBondContact CA-O 3.45Å; A301-E349 HydrophobicContact CB-CB 3.94Å; A301-E349 WeakPolarHBondContact CB-O 3.45Å; A301-E349 PolarHBondContact N-O 3.43Å; A301-E349 PolarHBondContact N-OE2 3.48Å; Y304-E349 WeakPolarHBondContact CD2-OE2 3.41Å; Y304-E349 HydrophobicContact CE2-CB 4.34Å; Y304-E349 VanDerWaalsContact CE2-CD 3.49Å; Y304-E349 HydrophobicContact CE2-CG 3.93Å; Y304-E349 WeakPolarHBondContact CE2-OE2 3.32Å; E349-E381 WeakPolarHBondContact CA-OE2 3.41Å; E349-G382 PolarHBondContact N-O 2.78Å
350	V	97.5	Very high	96.3	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	120.7	178.5	-174.8	0	0	0	0	110	I299 L347 Q348 M352 F355 F372 E381 G382 A384	I299-V350 HydrophobicContact CD1-CB 4.32Å; I299-V350 HydrophobicContact CD1-CG1 4.3Å; I299-V350 HydrophobicContact CD1-CG2 3.85Å; I299-V350 HydrophobicContact CG1-CG2 4.11Å; L347-V350 HydrophobicContact CB-CG2 3.44Å; L347-V350 VanDerWaalsContact CB-CG2 3.44Å; L347-V350 HydrophobicContact CD1-CG2 4.29Å; Q348-V350 PolarHBondContact O-N 3.03Å; V350-M352 PolarHBondContact O-N 3.32Å; V350-F355 HydrophobicContact CG1-CB 4.1Å; V350-F355 HydrophobicContact CG1-CD2 4.34Å; V350-F372 HydrophobicContact CB-CD2 4.18Å; V350-F372 HydrophobicContact CB-CE2 3.91Å; V350-F372 HydrophobicContact CG1-CD2 4.24Å; V350-F372 HydrophobicContact CG1-CE2 4.2Å; V350-F372 WeakPolarHBondContact O-CE2 3.21Å; V350-E381 CarbonylContact O-C 3.54Å; V350-E381 WeakPolarHBondContact O-CA 3.41Å; V350-G382 PolarHBondContact N-O 3.34Å; V350-G382 PolarHBondContact O-N 3.25Å; V350-A384 HydrophobicContact CG2-CB 3.97Å
351	D	95.7	Very high	96.2	Very high	21 Å²	21	33.4 Å²	33.4	11%	0.112	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	124.2	171.7	-73.2	-80.9	0	0	0	112.1	A301 D302 R353 L354 F355	A301-D351 WeakPolarHBondContact CA-OD2 3.04Å; D302-D351 PolarHBondContact N-OD2 2.93Å; D351-R353 PolarHBondContact O-N 3.16Å; D351-R353 VanDerWaalsContact O-N 3.17Å; D351-L354 HydrophobicContact CB-CB 4.16Å; D351-L354 HydrophobicContact CB-CD1 4.08Å; D351-L354 HydrophobicContact CB-CG 4.02Å; D351-L354 PolarHBondContact O-N 3Å; D351-F355 PolarHBondContact O-N 3.29Å
352	M	94.7	Very high	96.3	Very high	71 Å²	71	27.4 Å²	27.4	35%	0.35	14%	0.137	S	C	.	.	H	α-helix	trans	-52.3	-42.4	178.7	178.3	-179.3	69.9	0	0	112.3	V350 L354 F355 D356 F372 T380	V350-M352 PolarHBondContact O-N 3.32Å; M352-L354 VanDerWaalsContact C-N 3.27Å; M352-L354 PolarHBondContact O-N 2.88Å; M352-F355 PolarHBondContact O-N 3.29Å; M352-D356 PolarHBondContact O-N 3.14Å; M352-F372 HydrophobicContact CB-CE1 3.58Å; M352-F372 HydrophobicContact CB-CZ 3.78Å; M352-F372 HydrophobicContact CG-CE1 3.72Å; M352-F372 HydrophobicContact CG-CZ 4.42Å; M352-T380 VanDerWaalsContact CB-O 3.28Å; M352-T380 WeakPolarHBondContact CB-O 3.33Å; M352-T380 PolarHBondContact N-O 3.02Å
353	R	91.9	Very high	96.3	Very high	192 Å²	192	27 Å²	27	73%	0.725	13%	0.134	S	C	*	.	H	α-helix	trans	-66.1	-30.4	-178.7	-66.2	178.2	179.6	162.3	3.3	112.7	D351	D351-R353 PolarHBondContact O-N 3.16Å; D351-R353 VanDerWaalsContact O-N 3.17Å
354	L	95.4	Very high	96.2	Very high	15 Å²	15	29 Å²	29	8%	0.079	15%	0.145	C	C	.	.	H	α-helix	trans	-83.6	-33.5	175.3	-64.3	-178.5	0	0	0	110.7	E165 I177 D351 M352 L358 W359	E165-L354 HydrophobicContact CG-CD2 3.94Å; I177-L354 HydrophobicContact CD1-CD2 4.24Å; D351-L354 HydrophobicContact CB-CB 4.16Å; D351-L354 HydrophobicContact CB-CD1 4.08Å; D351-L354 HydrophobicContact CB-CG 4.02Å; D351-L354 PolarHBondContact O-N 3Å; M352-L354 VanDerWaalsContact C-N 3.27Å; M352-L354 PolarHBondContact O-N 2.88Å; L354-L358 HydrophobicContact CD2-CD2 4.45Å; L354-L358 CarbonylContact O-C 3.52Å; L354-L358 VanDerWaalsContact O-CA 3.28Å; L354-L358 WeakPolarHBondContact O-CA 3.34Å; L354-L358 WeakPolarHBondContact O-CB 3.42Å; L354-L358 PolarHBondContact O-N 3.35Å; L354-W359 PolarHBondContact O-N 2.87Å
355	F	97.2	Very high	96	Very high	13 Å²	13	32.8 Å²	32.8	6%	0.057	16%	0.162	C	C	.	.	I	π-helix	trans	-56.4	-60.7	178.4	-178.4	-94.5	0	0	0	112.4	V350 D351 M352 G357 W359 A360 F372 A384 F386	V350-F355 HydrophobicContact CG1-CB 4.1Å; V350-F355 HydrophobicContact CG1-CD2 4.34Å; D351-F355 PolarHBondContact O-N 3.29Å; M352-F355 PolarHBondContact O-N 3.29Å; F355-G357 VanDerWaalsContact C-N 3.34Å; F355-G357 PolarHBondContact O-N 2.92Å; F355-W359 HydrophobicContact CD2-CB 4.33Å; F355-W359 PolarHBondContact O-N 3.3Å; F355-A360 HydrophobicContact CD1-CB 4.42Å; F355-A360 HydrophobicContact CE1-CB 3.98Å; F355-A360 HydrophobicContact CE2-CB 4.35Å; F355-A360 HydrophobicContact CZ-CB 3.95Å; F355-A360 WeakPolarHBondContact O-CB 3.21Å; F355-A360 PolarHBondContact O-N 3.02Å; F355-F372 HydrophobicContact CB-CB 4.36Å; F355-F372 HydrophobicContact CB-CD1 4.28Å; F355-F372 HydrophobicContact CB-CD2 4.2Å; F355-F372 HydrophobicContact CB-CG 4.02Å; F355-F372 HydrophobicContact CD1-CB 3.32Å; F355-F372 HydrophobicContact CD1-CD1 4.05Å; F355-F372 AromaticContact CD1-CG 3.78Å; F355-F372 HydrophobicContact CD1-CG 3.78Å; F355-F372 HydrophobicContact CD2-CB 3.54Å; F355-F372 HydrophobicContact CD2-CD2 4.16Å; F355-F372 AromaticContact CD2-CG 3.99Å; F355-F372 HydrophobicContact CD2-CG 3.99Å; F355-F372 HydrophobicContact CE1-CB 3.3Å; F355-F372 HydrophobicContact CE1-CG 4.27Å; F355-F372 HydrophobicContact CE2-CB 3.51Å; F355-F372 HydrophobicContact CE2-CG 4.43Å; F355-F372 HydrophobicContact CG-CB 3.44Å; F355-F372 VanDerWaalsContact CG-CB 3.44Å; F355-F372 HydrophobicContact CG-CD1 4.16Å; F355-F372 HydrophobicContact CG-CD2 4.06Å; F355-F372 AromaticContact CG-CG 3.62Å; F355-F372 HydrophobicContact CG-CG 3.62Å; F355-F372 HydrophobicContact CZ-CB 3.39Å; F355-A384 HydrophobicContact CD2-CB 3.99Å; F355-A384 HydrophobicContact CE2-CB 3.87Å; F355-F386 HydrophobicContact CD2-CE2 4.4Å; F355-F386 AromaticContact CD2-CZ 3.96Å; F355-F386 HydrophobicContact CD2-CZ 3.96Å; F355-F386 HydrophobicContact CE2-CE1 4.17Å; F355-F386 AromaticContact CE2-CE2 3.89Å; F355-F386 HydrophobicContact CE2-CE2 3.89Å; F355-F386 AromaticContact CE2-CZ 3.4Å; F355-F386 HydrophobicContact CE2-CZ 3.4Å; F355-F386 HydrophobicContact CZ-CZ 4.36Å
356	D	92.6	Very high	95.9	Very high	114 Å²	114	37.6 Å²	37.6	61%	0.61	18%	0.183	S	C	*	.	I	π-helix	trans	-64.8	-39.6	-175.4	-69	-27.7	0	0	0	112.5	M352	M352-D356 PolarHBondContact O-N 3.14Å
357	G	92.9	Very high	95.8	Very high	10 Å²	10	37.4 Å²	37.4	10%	0.103	18%	0.183	C	C	.	.	I	π-helix	trans	-87	-29.6	-171.3	0	0	0	0	0	114.6	F355 P361	F355-G357 VanDerWaalsContact C-N 3.34Å; F355-G357 PolarHBondContact O-N 2.92Å; G357-P361 WeakPolarHBondContact O-CG 3.28Å
358	L	97	Very high	95.7	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.005	18%	0.184	C	C	.	.	I	π-helix	trans	-126.5	-66.5	-170.6	-179.2	66.5	0	0	0	111.9	Y175 I177 T330 M334 L354 P361 F362	Y175-L358 HydrophobicContact CD1-CD1 3.77Å; Y175-L358 HydrophobicContact CG-CD1 4.45Å; I177-L358 HydrophobicContact CD1-CB 3.86Å; I177-L358 HydrophobicContact CG1-CB 3.95Å; I177-L358 HydrophobicContact CG1-CD1 4.29Å; T330-L358 HydrophobicContact CG2-CD2 3.31Å; M334-L358 HydrophobicContact SD-CD1 3.95Å; M334-L358 HydrophobicContact SD-CD2 4.15Å; L354-L358 HydrophobicContact CD2-CD2 4.45Å; L354-L358 CarbonylContact O-C 3.52Å; L354-L358 VanDerWaalsContact O-CA 3.28Å; L354-L358 WeakPolarHBondContact O-CA 3.34Å; L354-L358 WeakPolarHBondContact O-CB 3.42Å; L354-L358 PolarHBondContact O-N 3.35Å; L358-P361 VanDerWaalsContact O-CD 3.26Å; L358-P361 WeakPolarHBondContact O-CD 3.47Å; L358-P361 WeakPolarHBondContact O-CG 3.25Å; L358-F362 HydrophobicContact CD1-CB 4.45Å; L358-F362 WeakPolarHBondContact O-CA 3.49Å; L358-F362 WeakPolarHBondContact O-CB 3.22Å; L358-F362 PolarHBondContact O-N 2.74Å
359	W	97.8	Very high	95.7	Very high	2 Å²	2	39 Å²	39	1%	0.008	20%	0.195	C	C	.	.	I	π-helix	trans	-63.5	-50.7	-167.5	-62.2	122.3	0	0	0	113	I299 L333 M334 I337 L354 F355 F362 L363 F386	I299-W359 HydrophobicContact CD1-CZ2 4.18Å; L333-W359 HydrophobicContact CB-CH2 3.5Å; L333-W359 HydrophobicContact CB-CZ2 4.22Å; L333-W359 HydrophobicContact CB-CZ3 4.38Å; L333-W359 HydrophobicContact CD1-CH2 4.2Å; L333-W359 HydrophobicContact CD1-CZ2 4.07Å; L333-W359 HydrophobicContact CG-CH2 4.48Å; M334-W359 HydrophobicContact CG-CH2 4.15Å; M334-W359 HydrophobicContact CG-CZ3 3.99Å; I337-W359 HydrophobicContact CD1-CH2 4.41Å; I337-W359 HydrophobicContact CD1-CZ3 4.14Å; L354-W359 PolarHBondContact O-N 2.87Å; F355-W359 HydrophobicContact CD2-CB 4.33Å; F355-W359 PolarHBondContact O-N 3.3Å; W359-F362 PolarHBondContact O-N 2.85Å; W359-L363 WeakPolarHBondContact O-CB 3.31Å; W359-L363 WeakPolarHBondContact O-CG 3.35Å; W359-L363 PolarHBondContact O-N 3.39Å; W359-F386 HydrophobicContact CB-CZ 3.94Å
360	A	96.9	Very high	95.7	Very high	26 Å²	26	38.8 Å²	38.8	22%	0.215	20%	0.2	C	C	.	.	H	α-helix	trans	-55.4	-55.3	177.7	0	0	0	0	0	112.5	F355 N364	F355-A360 HydrophobicContact CD1-CB 4.42Å; F355-A360 HydrophobicContact CE1-CB 3.98Å; F355-A360 HydrophobicContact CE2-CB 4.35Å; F355-A360 HydrophobicContact CZ-CB 3.95Å; F355-A360 WeakPolarHBondContact O-CB 3.21Å; F355-A360 PolarHBondContact O-N 3.02Å; A360-N364 VanDerWaalsContact O-CB 3.29Å; A360-N364 WeakPolarHBondContact O-CB 3.43Å; A360-N364 PolarHBondContact O-N 3.46Å
361	P	95.8	Very high	95.6	Very high	15 Å²	15	41.1 Å²	41.1	10%	0.097	21%	0.213	C	C	.	.	H	α-helix	trans	-72.2	-33.7	179.9	26.1	-34.3	0	0	0	114.3	Y175 R185 G357 L358 N364	Y175-P361 HydrophobicContact CE1-CB 4.46Å; Y175-P361 HydrophobicContact CE1-CG 4.45Å; Y175-P361 PolarHBondContact OH-O 3.16Å; R185-P361 VanDerWaalsContact NE-CB 3.3Å; G357-P361 WeakPolarHBondContact O-CG 3.28Å; L358-P361 VanDerWaalsContact O-CD 3.26Å; L358-P361 WeakPolarHBondContact O-CD 3.47Å; L358-P361 WeakPolarHBondContact O-CG 3.25Å; P361-N364 WeakPolarHBondContact O-CB 3.3Å; P361-N364 PolarHBondContact O-N 3.34Å
362	F	96.9	Very high	95.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-68	-49	179.8	175.5	-114.4	0	0	0	111.4	Y175 M334 P338 L358 W359 N364 E365 F366	Y175-F362 HydrophobicContact CD1-CB 4.1Å; Y175-F362 HydrophobicContact CD1-CD2 4.27Å; Y175-F362 AromaticContact CD2-CD2 3.6Å; Y175-F362 HydrophobicContact CD2-CD2 3.6Å; Y175-F362 HydrophobicContact CD2-CE2 4.29Å; Y175-F362 HydrophobicContact CE1-CB 4.07Å; Y175-F362 HydrophobicContact CE2-CD2 4.07Å; Y175-F362 HydrophobicContact CG-CB 4.38Å; Y175-F362 AromaticContact CG-CD2 3.7Å; Y175-F362 HydrophobicContact CG-CD2 3.7Å; Y175-F362 HydrophobicContact CG-CE2 4.47Å; Y175-F362 HydrophobicContact CG-CG 4.42Å; M334-F362 HydrophobicContact CB-CE1 3.82Å; M334-F362 HydrophobicContact CB-CZ 3.96Å; M334-F362 HydrophobicContact CE-CD2 4.13Å; M334-F362 HydrophobicContact CE-CE1 4.38Å; M334-F362 HydrophobicContact CE-CE2 3.81Å; M334-F362 HydrophobicContact CE-CZ 3.94Å; M334-F362 HydrophobicContact CG-CD1 4.18Å; M334-F362 HydrophobicContact CG-CE1 3.89Å; M334-F362 HydrophobicContact CG-CZ 4.28Å; M334-F362 VanDerWaalsContact O-CE1 3.3Å; M334-F362 WeakPolarHBondContact O-CE1 3.4Å; M334-F362 VanDerWaalsContact O-CZ 3.25Å; M334-F362 WeakPolarHBondContact O-CZ 3.28Å; P338-F362 HydrophobicContact CG-CE1 4.12Å; P338-F362 HydrophobicContact CG-CZ 4.3Å; L358-F362 HydrophobicContact CD1-CB 4.45Å; L358-F362 WeakPolarHBondContact O-CA 3.49Å; L358-F362 WeakPolarHBondContact O-CB 3.22Å; L358-F362 PolarHBondContact O-N 2.74Å; W359-F362 PolarHBondContact O-N 2.85Å; F362-N364 PolarHBondContact O-N 3.08Å; F362-E365 VanDerWaalsContact O-CB 3.26Å; F362-E365 WeakPolarHBondContact O-CB 3.33Å; F362-E365 WeakPolarHBondContact O-CG 3.36Å; F362-E365 PolarHBondContact O-N 2.74Å; F362-E365 VanDerWaalsContact O-N 3.11Å; F362-F366 HydrophobicContact CD1-CE2 4.41Å; F362-F366 HydrophobicContact CD2-CE2 4.17Å; F362-F366 AromaticContact CE1-CE2 3.92Å; F362-F366 HydrophobicContact CE1-CE2 3.92Å; F362-F366 AromaticContact CE2-CE2 3.68Å; F362-F366 HydrophobicContact CE2-CE2 3.68Å; F362-F366 HydrophobicContact CE2-CZ 4.21Å; F362-F366 AromaticContact CZ-CE2 3.54Å; F362-F366 HydrophobicContact CZ-CE2 3.54Å; F362-F366 AromaticContact CZ-CZ 3.96Å; F362-F366 HydrophobicContact CZ-CZ 3.96Å; F362-F366 WeakPolarHBondContact O-CD2 3.34Å
363	L	97.5	Very high	95.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-68.3	-23.9	178.4	-66.6	179.5	0	0	0	112.2	I337 W359 E365 F366 L368 F386	I337-L363 HydrophobicContact CG2-CD1 4.38Å; I337-L363 HydrophobicContact CG2-CD2 3.97Å; W359-L363 WeakPolarHBondContact O-CB 3.31Å; W359-L363 WeakPolarHBondContact O-CG 3.35Å; W359-L363 PolarHBondContact O-N 3.39Å; L363-E365 PolarHBondContact O-N 3.24Å; L363-F366 CarbonylContact O-C 3.58Å; L363-F366 WeakPolarHBondContact O-CA 3.44Å; L363-F366 WeakPolarHBondContact O-CB 3.26Å; L363-F366 PolarHBondContact O-N 3.02Å; L363-L368 CarbonylContact C-O 3.57Å; L363-L368 HydrophobicContact CB-CB 4.06Å; L363-L368 HydrophobicContact CB-CD1 4.16Å; L363-L368 HydrophobicContact CD2-CD1 4.18Å; L363-L368 WeakPolarHBondContact O-CB 3.21Å; L363-L368 PolarHBondContact O-N 2.87Å; L363-L368 VanDerWaalsContact O-N 3.16Å; L363-F386 HydrophobicContact CB-CD1 3.98Å; L363-F386 HydrophobicContact CB-CE1 3.94Å; L363-F386 HydrophobicContact CD1-CD1 3.73Å; L363-F386 HydrophobicContact CD1-CD2 3.96Å; L363-F386 HydrophobicContact CD1-CE1 3.63Å; L363-F386 HydrophobicContact CD1-CE2 3.88Å; L363-F386 HydrophobicContact CD1-CG 3.9Å; L363-F386 HydrophobicContact CD1-CZ 3.71Å; L363-F386 HydrophobicContact CG-CE1 4.32Å
364	N	95.4	Very high	95.4	Very high	52 Å²	52	33.7 Å²	33.7	28%	0.278	19%	0.187	S	C	.	.	H	α-helix	trans	-61.9	-28.5	171.1	-178.8	73.7	0	0	0	113.9	A360 P361 F362 F366 G367 L368 R389	A360-N364 VanDerWaalsContact O-CB 3.29Å; A360-N364 WeakPolarHBondContact O-CB 3.43Å; A360-N364 PolarHBondContact O-N 3.46Å; P361-N364 WeakPolarHBondContact O-CB 3.3Å; P361-N364 PolarHBondContact O-N 3.34Å; F362-N364 PolarHBondContact O-N 3.08Å; N364-F366 PolarHBondContact O-N 2.94Å; N364-G367 PolarHBondContact O-N 3.31Å; N364-L368 WeakPolarHBondContact CA-O 3.18Å; N364-L368 PolarHBondContact N-O 3.18Å; N364-R389 PolarHBondContact O-NH1 3Å; N364-R389 VanDerWaalsContact O-NH1 3.14Å; N364-R389 PolarHBondContact O-NH2 3.39Å; N364-R389 PolarHBondContact OD1-NH1 2.97Å
365	E	93.4	Very high	95.1	Very high	102 Å²	102	35.3 Å²	35.3	48%	0.477	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.6	171	-55.1	-62.5	156.7	0	0	112	Y175 F362 L363	Y175-E365 HydrophobicContact CE2-CG 3.98Å; Y175-E365 PolarHBondContact OH-OE1 2.91Å; F362-E365 VanDerWaalsContact O-CB 3.26Å; F362-E365 WeakPolarHBondContact O-CB 3.33Å; F362-E365 WeakPolarHBondContact O-CG 3.36Å; F362-E365 PolarHBondContact O-N 2.74Å; F362-E365 VanDerWaalsContact O-N 3.11Å; L363-E365 PolarHBondContact O-N 3.24Å
366	F	94.8	Very high	94.4	Very high	101 Å²	101	36.4 Å²	36.4	44%	0.443	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	13.2	179.5	-60.3	-89.5	0	0	0	113.5	P338 F362 L363 N364 L368	P338-F366 HydrophobicContact CB-CD1 3.71Å; P338-F366 HydrophobicContact CB-CD2 3.94Å; P338-F366 HydrophobicContact CB-CE1 3.63Å; P338-F366 HydrophobicContact CB-CE2 3.88Å; P338-F366 HydrophobicContact CB-CG 3.86Å; P338-F366 HydrophobicContact CB-CZ 3.72Å; P338-F366 HydrophobicContact CG-CE1 4.24Å; P338-F366 HydrophobicContact CG-CE2 4.12Å; P338-F366 HydrophobicContact CG-CZ 3.91Å; F362-F366 HydrophobicContact CD1-CE2 4.41Å; F362-F366 HydrophobicContact CD2-CE2 4.17Å; F362-F366 AromaticContact CE1-CE2 3.92Å; F362-F366 HydrophobicContact CE1-CE2 3.92Å; F362-F366 AromaticContact CE2-CE2 3.68Å; F362-F366 HydrophobicContact CE2-CE2 3.68Å; F362-F366 HydrophobicContact CE2-CZ 4.21Å; F362-F366 AromaticContact CZ-CE2 3.54Å; F362-F366 HydrophobicContact CZ-CE2 3.54Å; F362-F366 AromaticContact CZ-CZ 3.96Å; F362-F366 HydrophobicContact CZ-CZ 3.96Å; F362-F366 WeakPolarHBondContact O-CD2 3.34Å; L363-F366 CarbonylContact O-C 3.58Å; L363-F366 WeakPolarHBondContact O-CA 3.44Å; L363-F366 WeakPolarHBondContact O-CB 3.26Å; L363-F366 PolarHBondContact O-N 3.02Å; N364-F366 PolarHBondContact O-N 2.94Å; F366-L368 HydrophobicContact CB-CD1 4.45Å
367	G	95.9	Very high	93.9	Very high	8 Å²	8	34.4 Å²	34.4	8%	0.082	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	88	4.2	179.8	0	0	0	0	0	115.1	N364 R389	N364-G367 PolarHBondContact O-N 3.31Å; G367-R389 VanDerWaalsContact CA-CZ 3.48Å; G367-R389 WeakPolarHBondContact O-CG 3.33Å; G367-R389 PolarHBondContact O-N 2.92Å
368	L	98	Very high	93.5	Very high	7 Å²	7	42 Å²	42	4%	0.037	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.5	-173.1	-61.5	164.4	0	0	0	111.4	I345 L363 N364 F366 F386 F387 N388	I345-L368 HydrophobicContact CD1-CD1 3.64Å; I345-L368 HydrophobicContact CD1-CD2 4.48Å; L363-L368 CarbonylContact C-O 3.57Å; L363-L368 HydrophobicContact CB-CB 4.06Å; L363-L368 HydrophobicContact CB-CD1 4.16Å; L363-L368 HydrophobicContact CD2-CD1 4.18Å; L363-L368 WeakPolarHBondContact O-CB 3.21Å; L363-L368 PolarHBondContact O-N 2.87Å; L363-L368 VanDerWaalsContact O-N 3.16Å; N364-L368 WeakPolarHBondContact CA-O 3.18Å; N364-L368 PolarHBondContact N-O 3.18Å; F366-L368 HydrophobicContact CB-CD1 4.45Å; L368-F386 HydrophobicContact CB-CB 4.35Å; L368-F386 HydrophobicContact CB-CD1 4.43Å; L368-F387 WeakPolarHBondContact CA-O 3.48Å; L368-N388 HydrophobicContact CD2-CB 4.16Å
369	C	96.8	Very high	93.2	Very high	41 Å²	41	44.1 Å²	44.1	28%	0.277	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	140	170.6	-65.3	0	0	0	0	108.9	F386 F387	C369-F386 CarbonylContact O-C 3.56Å; C369-F386 WeakPolarHBondContact O-CA 3.33Å; C369-F387 HydrophobicContact CB-CD2 4.49Å; C369-F387 HydrophobicContact CB-CE1 4.41Å; C369-F387 HydrophobicContact CB-CE2 3.85Å; C369-F387 HydrophobicContact CB-CZ 3.79Å; C369-F387 PolarHBondContact N-O 3.3Å; C369-F387 WeakPolarHBondContact O-CD1 3.26Å; C369-F387 PolarHBondContact O-N 2.96Å
370	G	95.5	Very high	92.9	Very high	24 Å²	24	46.3 Å²	46.3	25%	0.247	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	150.6	-173.8	0	0	0	0	0	114.8	I385 F386	G370-I385 CarbonylContact C-O 3.51Å; G370-I385 WeakPolarHBondContact CA-O 3.41Å; G370-F386 VanDerWaalsContact CA-CD1 3.43Å
371	N	94.9	Very high	92.8	Very high	49 Å²	49	45 Å²	45	26%	0.262	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.9	171	-70.1	74.3	0	0	0	109	A384 I385 L394	N371-A384 CarbonylContact O-C 3.46Å; N371-A384 VanDerWaalsContact O-CA 3.23Å; N371-A384 WeakPolarHBondContact O-CA 3.47Å; N371-I385 PolarHBondContact N-O 2.87Å; N371-I385 PolarHBondContact O-N 2.88Å; N371-L394 WeakPolarHBondContact OD1-CD2 3.43Å
372	F	94.6	Very high	92.7	Very high	37 Å²	37	44.4 Å²	44.4	16%	0.162	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.7	-178.4	169.3	-101.1	0	0	0	111.4	V350 M352 F355 C374 L383 A384	V350-F372 HydrophobicContact CB-CD2 4.18Å; V350-F372 HydrophobicContact CB-CE2 3.91Å; V350-F372 HydrophobicContact CG1-CD2 4.24Å; V350-F372 HydrophobicContact CG1-CE2 4.2Å; V350-F372 WeakPolarHBondContact O-CE2 3.21Å; M352-F372 HydrophobicContact CB-CE1 3.58Å; M352-F372 HydrophobicContact CB-CZ 3.78Å; M352-F372 HydrophobicContact CG-CE1 3.72Å; M352-F372 HydrophobicContact CG-CZ 4.42Å; F355-F372 HydrophobicContact CB-CB 4.36Å; F355-F372 HydrophobicContact CB-CD1 4.28Å; F355-F372 HydrophobicContact CB-CD2 4.2Å; F355-F372 HydrophobicContact CB-CG 4.02Å; F355-F372 HydrophobicContact CD1-CB 3.32Å; F355-F372 HydrophobicContact CD1-CD1 4.05Å; F355-F372 AromaticContact CD1-CG 3.78Å; F355-F372 HydrophobicContact CD1-CG 3.78Å; F355-F372 HydrophobicContact CD2-CB 3.54Å; F355-F372 HydrophobicContact CD2-CD2 4.16Å; F355-F372 AromaticContact CD2-CG 3.99Å; F355-F372 HydrophobicContact CD2-CG 3.99Å; F355-F372 HydrophobicContact CE1-CB 3.3Å; F355-F372 HydrophobicContact CE1-CG 4.27Å; F355-F372 HydrophobicContact CE2-CB 3.51Å; F355-F372 HydrophobicContact CE2-CG 4.43Å; F355-F372 HydrophobicContact CG-CB 3.44Å; F355-F372 VanDerWaalsContact CG-CB 3.44Å; F355-F372 HydrophobicContact CG-CD1 4.16Å; F355-F372 HydrophobicContact CG-CD2 4.06Å; F355-F372 AromaticContact CG-CG 3.62Å; F355-F372 HydrophobicContact CG-CG 3.62Å; F355-F372 HydrophobicContact CZ-CB 3.39Å; F372-C374 WeakPolarHBondContact CE1-SG 3.36Å; F372-L383 VanDerWaalsContact CA-O 3.31Å; F372-L383 WeakPolarHBondContact CA-O 3.28Å; F372-L383 VanDerWaalsContact CD2-O 3.22Å; F372-L383 WeakPolarHBondContact CD2-O 3.46Å; F372-A384 HydrophobicContact CB-CB 4.45Å; F372-A384 HydrophobicContact CD2-CB 4.22Å
373	H	92.3	Very high	92.7	Very high	61 Å²	61	46.2 Å²	46.2	28%	0.282	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	129.2	171.9	-158.3	75.5	0	0	0	110.5	G382 L383 N399	H373-G382 CarbonylContact O-C 3.55Å; H373-G382 WeakPolarHBondContact O-CA 3.43Å; H373-L383 PolarHBondContact N-O 2.91Å; H373-L383 PolarHBondContact O-N 3.15Å; H373-N399 HydrophobicContact CB-CB 4.49Å; H373-N399 VanDerWaalsContact CB-OD1 3.31Å; H373-N399 WeakPolarHBondContact CB-OD1 3.31Å; H373-N399 VanDerWaalsContact ND1-CG 3.29Å; H373-N399 PolarHBondContact ND1-ND2 3.13Å
374	C	92	Very high	92.6	Very high	29 Å²	29	46.3 Å²	46.3	20%	0.196	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	155.8	172.2	-65.5	0	0	0	0	110.8	F372 E381	F372-C374 WeakPolarHBondContact CE1-SG 3.36Å; C374-E381 WeakPolarHBondContact CA-O 3.38Å
375	K	89.1	Confident	92.7	Very high	49 Å²	49	46.3 Å²	46.3	21%	0.213	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-61.8	160.5	157.6	-67.6	-171.6	-168.2	150.7	0	110.3	Y304 I379 E381 P434	Y304-K375 PolarHBondContact OH-NZ 3.16Å; K375-I379 HydrophobicContact CB-CB 4.08Å; K375-I379 HydrophobicContact CB-CD1 4.2Å; K375-I379 HydrophobicContact CB-CG2 3.89Å; K375-I379 HydrophobicContact CD-CG2 4.49Å; K375-E381 WeakPolarHBondContact CD-OE1 3.37Å; K375-E381 WeakPolarHBondContact CE-OE1 3.39Å; K375-E381 PolarHBondContact N-O 3.23Å; K375-E381 IonicContact NZ-OE1 3.33Å; K375-E381 PolarHBondContact NZ-OE1 2.67Å; K375-E381 IonicContact NZ-OE2 2.86Å; K375-E381 PolarHBondContact NZ-OE2 3.39Å; K375-P434 HydrophobicContact CB-CB 4.19Å; K375-P434 WeakPolarHBondContact CB-O 3.17Å; K375-P434 HydrophobicContact CD-CG 4.39Å; K375-P434 WeakPolarHBondContact CD-O 3.31Å; K375-P434 VanDerWaalsContact CG-O 3.32Å; K375-P434 WeakPolarHBondContact CG-O 3.31Å
376	V	83.2	Confident	92.9	Very high	37 Å²	37	41.4 Å²	41.4	22%	0.224	24%	0.242	C	C	.	.	S	Bend	trans	-70.2	159.3	-179.1	-71	0	0	0	0	113.6	V401 P434	V376-V401 HydrophobicContact CB-CG1 4.24Å; V376-V401 HydrophobicContact CG1-CB 3.89Å; V376-V401 HydrophobicContact CG1-CG1 3.38Å; V376-V401 HydrophobicContact CG1-CG2 3.25Å; V376-V401 HydrophobicContact CG2-CG1 3.79Å; V376-P434 HydrophobicContact CG2-CB 3.51Å
377	G	81.8	Confident	93	Very high	72 Å²	72	37.8 Å²	37.8	74%	0.742	23%	0.226	S	C	*	.	S	Bend	trans	82.8	-149.4	-178.2	0	0	0	0	0	112.4	I379	G377-I379 PolarHBondContact O-N 3.28Å
378	D	84.6	Confident	93.1	Very high	169 Å²	169	38.8 Å²	38.8	90%	0.904	23%	0.23	S	C	*	.	S	Bend	trans	-83.1	13.1	179.3	-66.7	-40.3	0	0	0	113.2	T380	D378-T380 PolarHBondContact O-N 3.06Å
379	I	89.4	Confident	92.9	Very high	45 Å²	45	43.7 Å²	43.7	23%	0.231	25%	0.248	C	C	.	.			trans	-75.7	120.3	-177.3	-59.4	176.3	0	0	0	109.2	L303 K375 G377 E381 P434	L303-I379 HydrophobicContact CD2-CG2 4.43Å; K375-I379 HydrophobicContact CB-CB 4.08Å; K375-I379 HydrophobicContact CB-CD1 4.2Å; K375-I379 HydrophobicContact CB-CG2 3.89Å; K375-I379 HydrophobicContact CD-CG2 4.49Å; G377-I379 PolarHBondContact O-N 3.28Å; I379-E381 VanDerWaalsContact C-N 3.33Å; I379-E381 HydrophobicContact CG2-CG 3.77Å; I379-E381 WeakPolarHBondContact CG2-OE1 3.29Å; I379-E381 PolarHBondContact O-N 2.93Å; I379-P434 HydrophobicContact CD1-CB 3.62Å; I379-P434 HydrophobicContact CD1-CG 3.42Å; I379-P434 VanDerWaalsContact CD1-CG 3.42Å
380	T	91.9	Very high	92.8	Very high	48 Å²	48	47.8 Å²	47.8	29%	0.294	27%	0.267	S	S	.	.			trans	-94	14.8	-174.7	59.1	0	0	0	0	114	M352 D378	M352-T380 VanDerWaalsContact CB-O 3.28Å; M352-T380 WeakPolarHBondContact CB-O 3.33Å; M352-T380 PolarHBondContact N-O 3.02Å; D378-T380 PolarHBondContact O-N 3.06Å
381	E	94.3	Very high	92.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	162.6	174.4	62.4	77.4	-158	0	0	111.4	A301 L303 Y304 E349 V350 C374 K375 I379	A301-E381 HydrophobicContact CB-CB 3.65Å; A301-E381 HydrophobicContact CB-CG 3.81Å; L303-E381 HydrophobicContact CD2-CG 4.41Å; Y304-E381 HydrophobicContact CE2-CG 4.1Å; Y304-E381 PolarHBondContact OH-OE1 2.92Å; E349-E381 WeakPolarHBondContact CA-OE2 3.41Å; V350-E381 CarbonylContact O-C 3.54Å; V350-E381 WeakPolarHBondContact O-CA 3.41Å; C374-E381 WeakPolarHBondContact CA-O 3.38Å; K375-E381 WeakPolarHBondContact CD-OE1 3.37Å; K375-E381 WeakPolarHBondContact CE-OE1 3.39Å; K375-E381 PolarHBondContact N-O 3.23Å; K375-E381 IonicContact NZ-OE1 3.33Å; K375-E381 PolarHBondContact NZ-OE1 2.67Å; K375-E381 IonicContact NZ-OE2 2.86Å; K375-E381 PolarHBondContact NZ-OE2 3.39Å; I379-E381 VanDerWaalsContact C-N 3.33Å; I379-E381 HydrophobicContact CG2-CG 3.77Å; I379-E381 WeakPolarHBondContact CG2-OE1 3.29Å; I379-E381 PolarHBondContact O-N 2.93Å
382	G	95.1	Very high	92.6	Very high	1 Å²	1	50 Å²	50	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.6	-142	173.2	0	0	0	0	0	113.9	E349 V350 H373	E349-G382 PolarHBondContact N-O 2.78Å; V350-G382 PolarHBondContact N-O 3.34Å; V350-G382 PolarHBondContact O-N 3.25Å; H373-G382 CarbonylContact O-C 3.55Å; H373-G382 WeakPolarHBondContact O-CA 3.43Å
383	L	95.7	Very high	92.5	Very high	39 Å²	39	53.2 Å²	53.2	20%	0.204	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	141.1	-170.6	-56.7	-178.9	0	0	0	110.9	L347 Q348 F372 H373 V436	L347-L383 WeakPolarHBondContact O-CA 3.32Å; Q348-L383 HydrophobicContact CB-CD2 4.11Å; Q348-L383 HydrophobicContact CG-CD2 3.85Å; F372-L383 VanDerWaalsContact CA-O 3.31Å; F372-L383 WeakPolarHBondContact CA-O 3.28Å; F372-L383 VanDerWaalsContact CD2-O 3.22Å; F372-L383 WeakPolarHBondContact CD2-O 3.46Å; H373-L383 PolarHBondContact N-O 2.91Å; H373-L383 PolarHBondContact O-N 3.15Å; L383-V436 HydrophobicContact CD1-CB 4.41Å; L383-V436 WeakPolarHBondContact CD1-O 3.5Å
384	A	96.4	Very high	92.5	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.008	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	135.5	169.6	0	0	0	0	0	111.7	L347 V350 F355 N371 F372 F386	L347-A384 HydrophobicContact CB-CB 4.33Å; L347-A384 PolarHBondContact N-O 3.15Å; L347-A384 PolarHBondContact O-N 3.26Å; V350-A384 HydrophobicContact CG2-CB 3.97Å; F355-A384 HydrophobicContact CD2-CB 3.99Å; F355-A384 HydrophobicContact CE2-CB 3.87Å; N371-A384 CarbonylContact O-C 3.46Å; N371-A384 VanDerWaalsContact O-CA 3.23Å; N371-A384 WeakPolarHBondContact O-CA 3.47Å; F372-A384 HydrophobicContact CB-CB 4.45Å; F372-A384 HydrophobicContact CD2-CB 4.22Å; A384-F386 HydrophobicContact CB-CD2 4.28Å; A384-F386 HydrophobicContact CB-CE2 3.7Å
385	I	97	Very high	92.5	Very high	52 Å²	52	60 Å²	60	27%	0.267	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	124.4	170	-62.7	-177.7	0	0	0	108.3	L344 I345 G370 N371 Q438	L344-I385 HydrophobicContact CD1-CG2 3.82Å; I345-I385 CarbonylContact O-C 3.55Å; I345-I385 WeakPolarHBondContact O-CA 3.28Å; G370-I385 CarbonylContact C-O 3.51Å; G370-I385 WeakPolarHBondContact CA-O 3.41Å; N371-I385 PolarHBondContact N-O 2.87Å; N371-I385 PolarHBondContact O-N 2.88Å; I385-Q438 HydrophobicContact CD1-CB 4.41Å; I385-Q438 VanDerWaalsContact CG1-OE1 3.31Å
386	F	98.1	Very high	92.5	Very high	0 Å²	0	63 Å²	63	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	141.5	170.6	-63.2	-102.6	0	0	0	110.9	L344 I345 L347 F355 W359 L363 L368 C369 G370 A384	L344-F386 CarbonylContact C-O 3.6Å; L344-F386 WeakPolarHBondContact CA-O 2.92Å; I345-F386 HydrophobicContact CB-CB 4.11Å; I345-F386 PolarHBondContact N-O 3.05Å; I345-F386 PolarHBondContact O-N 2.86Å; L347-F386 HydrophobicContact CD1-CD2 4.29Å; L347-F386 HydrophobicContact CD1-CE2 3.95Å; F355-F386 HydrophobicContact CD2-CE2 4.4Å; F355-F386 AromaticContact CD2-CZ 3.96Å; F355-F386 HydrophobicContact CD2-CZ 3.96Å; F355-F386 HydrophobicContact CE2-CE1 4.17Å; F355-F386 AromaticContact CE2-CE2 3.89Å; F355-F386 HydrophobicContact CE2-CE2 3.89Å; F355-F386 AromaticContact CE2-CZ 3.4Å; F355-F386 HydrophobicContact CE2-CZ 3.4Å; F355-F386 HydrophobicContact CZ-CZ 4.36Å; W359-F386 HydrophobicContact CB-CZ 3.94Å; L363-F386 HydrophobicContact CB-CD1 3.98Å; L363-F386 HydrophobicContact CB-CE1 3.94Å; L363-F386 HydrophobicContact CD1-CD1 3.73Å; L363-F386 HydrophobicContact CD1-CD2 3.96Å; L363-F386 HydrophobicContact CD1-CE1 3.63Å; L363-F386 HydrophobicContact CD1-CE2 3.88Å; L363-F386 HydrophobicContact CD1-CG 3.9Å; L363-F386 HydrophobicContact CD1-CZ 3.71Å; L363-F386 HydrophobicContact CG-CE1 4.32Å; L368-F386 HydrophobicContact CB-CB 4.35Å; L368-F386 HydrophobicContact CB-CD1 4.43Å; C369-F386 CarbonylContact O-C 3.56Å; C369-F386 WeakPolarHBondContact O-CA 3.33Å; G370-F386 VanDerWaalsContact CA-CD1 3.43Å; A384-F386 HydrophobicContact CB-CD2 4.28Å; A384-F386 HydrophobicContact CB-CE2 3.7Å
387	F	97.3	Very high	92.8	Very high	25 Å²	25	63.6 Å²	63.6	11%	0.11	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	147	177.8	56.7	-91.8	0	0	0	111.1	D343 L344 L368 C369 R389 F392 L394	D343-F387 CarbonylContact O-C 3.58Å; D343-F387 VanDerWaalsContact O-CA 3.31Å; D343-F387 WeakPolarHBondContact O-CA 3.3Å; L344-F387 HydrophobicContact CD1-CB 4.25Å; L368-F387 WeakPolarHBondContact CA-O 3.48Å; C369-F387 HydrophobicContact CB-CD2 4.49Å; C369-F387 HydrophobicContact CB-CE1 4.41Å; C369-F387 HydrophobicContact CB-CE2 3.85Å; C369-F387 HydrophobicContact CB-CZ 3.79Å; C369-F387 PolarHBondContact N-O 3.3Å; C369-F387 WeakPolarHBondContact O-CD1 3.26Å; C369-F387 PolarHBondContact O-N 2.96Å; F387-R389 PolarHBondContact O-N 3.39Å; F387-F392 HydrophobicContact CB-CB 4.07Å; F387-F392 HydrophobicContact CB-CD2 4.05Å; F387-F392 HydrophobicContact CB-CG 4.19Å; F387-F392 HydrophobicContact CD2-CB 3.76Å; F387-F392 HydrophobicContact CG-CB 4.18Å; F387-L394 HydrophobicContact CE1-CB 4.15Å; F387-L394 HydrophobicContact CE1-CD1 4.34Å; F387-L394 HydrophobicContact CE1-CD2 4.48Å; F387-L394 HydrophobicContact CE2-CB 4.38Å; F387-L394 HydrophobicContact CZ-CB 3.67Å; F387-L394 HydrophobicContact CZ-CD2 4.45Å; F387-L394 HydrophobicContact CZ-CG 4.49Å
388	N	96.7	Very high	93	Very high	29 Å²	29	64.2 Å²	64.2	16%	0.155	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	114.9	174.7	-179.6	-11.7	0	0	0	109.7	D343 L368 D390 K391 F392	D343-N388 HydrophobicContact CB-CB 4.15Å; D343-N388 PolarHBondContact O-N 2.9Å; D343-N388 PolarHBondContact OD1-ND2 2.71Å; L368-N388 HydrophobicContact CD2-CB 4.16Å; N388-D390 PolarHBondContact O-N 3.36Å; N388-D390 VanDerWaalsContact O-N 3.16Å; N388-D390 WeakPolarHBondContact OD1-CB 3.29Å; N388-D390 PolarHBondContact OD1-N 3.05Å; N388-K391 HydrophobicContact CB-CB 4.46Å; N388-K391 PolarHBondContact O-N 3.13Å; N388-F392 PolarHBondContact O-N 3.38Å
389	R	95	Very high	93	Very high	110 Å²	110	58.8 Å²	58.8	42%	0.415	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-18.7	-176.5	70.7	-171.9	162.4	-128.4	1.1	114.3	N364 G367 F387	N364-R389 PolarHBondContact O-NH1 3Å; N364-R389 VanDerWaalsContact O-NH1 3.14Å; N364-R389 PolarHBondContact O-NH2 3.39Å; N364-R389 PolarHBondContact OD1-NH1 2.97Å; G367-R389 VanDerWaalsContact CA-CZ 3.48Å; G367-R389 WeakPolarHBondContact O-CG 3.33Å; G367-R389 PolarHBondContact O-N 2.92Å; F387-R389 PolarHBondContact O-N 3.39Å
390	D	93.7	Very high	92.7	Very high	127 Å²	127	58.4 Å²	58.4	68%	0.679	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-16.4	177	-61.6	-19.4	0	0	0	112	N388	N388-D390 PolarHBondContact O-N 3.36Å; N388-D390 VanDerWaalsContact O-N 3.16Å; N388-D390 WeakPolarHBondContact OD1-CB 3.29Å; N388-D390 PolarHBondContact OD1-N 3.05Å
391	K	93.5	Very high	92.4	Very high	54 Å²	54	56.4 Å²	56.4	24%	0.235	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-30	177.6	-69.5	-165.1	-178.9	-179.8	0	113.7	V291 D343 N388	V291-K391 PolarHBondContact O-NZ 3.03Å; D343-K391 HydrophobicContact CB-CD 4.15Å; D343-K391 VanDerWaalsContact CG-NZ 3.27Å; D343-K391 WeakPolarHBondContact OD1-CD 3.19Å; D343-K391 VanDerWaalsContact OD1-CE 3.31Å; D343-K391 WeakPolarHBondContact OD1-CE 3.24Å; D343-K391 IonicContact OD1-NZ 3.36Å; D343-K391 PolarHBondContact OD1-NZ 3.18Å; D343-K391 IonicContact OD2-NZ 2.73Å; D343-K391 PolarHBondContact OD2-NZ 3.01Å; N388-K391 HydrophobicContact CB-CB 4.46Å; N388-K391 PolarHBondContact O-N 3.13Å
392	F	93.6	Very high	91.8	Very high	66 Å²	66	59.2 Å²	59.2	29%	0.289	31%	0.31	S	S	.	.			trans	-124.9	142.8	-173.7	-61.8	-88.9	0	0	0	112.1	I292 D343 F387 N388	I292-F392 HydrophobicContact CB-CZ 4.45Å; I292-F392 HydrophobicContact CD1-CE1 4.08Å; I292-F392 HydrophobicContact CD1-CZ 3.62Å; I292-F392 HydrophobicContact CG1-CE2 4.42Å; I292-F392 HydrophobicContact CG1-CZ 3.74Å; I292-F392 HydrophobicContact CG2-CE2 4.24Å; I292-F392 HydrophobicContact CG2-CZ 3.83Å; D343-F392 HydrophobicContact CB-CE2 4.2Å; F387-F392 HydrophobicContact CB-CB 4.07Å; F387-F392 HydrophobicContact CB-CD2 4.05Å; F387-F392 HydrophobicContact CB-CG 4.19Å; F387-F392 HydrophobicContact CD2-CB 3.76Å; F387-F392 HydrophobicContact CG-CB 4.18Å; N388-F392 PolarHBondContact O-N 3.38Å
393	S	92.5	Very high	91.2	Very high	104 Å²	104	59.5 Å²	59.5	73%	0.727	31%	0.312	S	S	*	.			trans	-112.3	131.5	162.4	57.8	0	0	0	0	109.5	V395	S393-V395 PolarHBondContact O-N 3.15Å
394	L	92.7	Very high	90.7	Very high	91 Å²	91	63.2 Å²	63.2	48%	0.476	33%	0.328	S	S	.	.			trans	-74.3	113.2	176.1	-178.9	65.9	0	0	0	109.7	N371 F387 K396 C397	N371-L394 WeakPolarHBondContact OD1-CD2 3.43Å; F387-L394 HydrophobicContact CE1-CB 4.15Å; F387-L394 HydrophobicContact CE1-CD1 4.34Å; F387-L394 HydrophobicContact CE1-CD2 4.48Å; F387-L394 HydrophobicContact CE2-CB 4.38Å; F387-L394 HydrophobicContact CZ-CB 3.67Å; F387-L394 HydrophobicContact CZ-CD2 4.45Å; F387-L394 HydrophobicContact CZ-CG 4.49Å; L394-K396 WeakPolarHBondContact CD1-O 3.43Å; L394-C397 HydrophobicContact CD1-CB 4.43Å
395	V	91	Very high	90	Very high	140 Å²	140	65.2 Å²	65.2	85%	0.848	34%	0.338	S	S	*	.			trans	-84	-44.4	174.9	178.6	0	0	0	0	111.1	S393	S393-V395 PolarHBondContact O-N 3.15Å
396	K	88.8	Confident	89.1	Confident	113 Å²	113	63.1 Å²	63.1	49%	0.491	33%	0.328	S	S	.	.			trans	-158.9	146.3	-175.8	-163.4	-177.9	-174	-157.8	0	109.9	L394 E398	L394-K396 WeakPolarHBondContact CD1-O 3.43Å; K396-E398 HydrophobicContact CD-CG 4Å; K396-E398 WeakPolarHBondContact CE-OE1 3.42Å; K396-E398 HydrophobicContact CG-CG 4.24Å; K396-E398 IonicContact NZ-OE1 2.68Å; K396-E398 PolarHBondContact NZ-OE1 2.89Å
397	C	89.7	Confident	88.2	Confident	49 Å²	49	65.8 Å²	65.8	33%	0.331	35%	0.35	S	S	.	.			trans	-124.4	126.3	168.8	177.9	0	0	0	0	107.2	L394	L394-C397 HydrophobicContact CD1-CB 4.43Å
398	E	86.1	Confident	87.5	Confident	86 Å²	86	68.1 Å²	68.1	40%	0.402	37%	0.37	S	S	.	.			trans	-127.5	144.6	177	-75.3	-72.2	-172	0	0	108.4	K396	K396-E398 HydrophobicContact CD-CG 4Å; K396-E398 WeakPolarHBondContact CE-OE1 3.42Å; K396-E398 HydrophobicContact CG-CG 4.24Å; K396-E398 IonicContact NZ-OE1 2.68Å; K396-E398 PolarHBondContact NZ-OE1 2.89Å
399	N	84.8	Confident	86.4	Confident	55 Å²	55	75.3 Å²	75.3	29%	0.294	39%	0.394	S	S	.	.			trans	-122.1	127.7	179.5	-55.6	-68	0	0	0	108.2	H373 Q438	H373-N399 HydrophobicContact CB-CB 4.49Å; H373-N399 VanDerWaalsContact CB-OD1 3.31Å; H373-N399 WeakPolarHBondContact CB-OD1 3.31Å; H373-N399 VanDerWaalsContact ND1-CG 3.29Å; H373-N399 PolarHBondContact ND1-ND2 3.13Å; N399-Q438 PolarHBondContact OD1-NE2 2.75Å
400	V	83.6	Confident	85.4	Confident	37 Å²	37	71.8 Å²	71.8	22%	0.224	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	109.5	-175.5	-178.2	0	0	0	0	108	L405 V436 L437	V400-L405 HydrophobicContact CG1-CB 3.81Å; V400-L405 HydrophobicContact CG1-CD1 3.98Å; V400-L405 HydrophobicContact CG1-CD2 3.6Å; V400-L405 HydrophobicContact CG1-CG 4Å; V400-V436 CarbonylContact O-C 3.58Å; V400-V436 WeakPolarHBondContact O-CA 3.35Å; V400-L437 WeakPolarHBondContact CA-O 3.34Å; V400-L437 HydrophobicContact CB-CB 4.34Å; V400-L437 WeakPolarHBondContact CB-O 3.28Å; V400-L437 PolarHBondContact N-O 3.38Å; V400-L437 PolarHBondContact O-N 2.63Å
401	V	84.4	Confident	84.5	Confident	5 Å²	5	70.2 Å²	70.2	3%	0.03	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	124.8	169.3	-173	0	0	0	0	107.2	V376 S403 E404 L405 Q435 V436	V376-V401 HydrophobicContact CB-CG1 4.24Å; V376-V401 HydrophobicContact CG1-CB 3.89Å; V376-V401 HydrophobicContact CG1-CG1 3.38Å; V376-V401 HydrophobicContact CG1-CG2 3.25Å; V376-V401 HydrophobicContact CG2-CG1 3.79Å; V401-S403 VanDerWaalsContact C-N 3.31Å; V401-S403 WeakPolarHBondContact CG1-OG 3.49Å; V401-S403 PolarHBondContact O-N 3.22Å; V401-E404 HydrophobicContact CB-CB 3.94Å; V401-E404 HydrophobicContact CB-CG 3.75Å; V401-E404 HydrophobicContact CG1-CB 4.5Å; V401-E404 HydrophobicContact CG1-CG 3.98Å; V401-E404 HydrophobicContact CG2-CG 4.29Å; V401-E404 WeakPolarHBondContact CG2-OE2 3.48Å; V401-E404 PolarHBondContact O-N 3.01Å; V401-L405 WeakPolarHBondContact O-CB 3.48Å; V401-L405 PolarHBondContact O-N 3.26Å; V401-Q435 CarbonylContact C-O 3.54Å; V401-Q435 VanDerWaalsContact CA-O 3.31Å; V401-Q435 WeakPolarHBondContact CA-O 3.47Å; V401-Q435 WeakPolarHBondContact CG1-O 3.38Å; V401-V436 HydrophobicContact CG2-CG2 4.18Å
402	L	82.7	Confident	83.3	Confident	59 Å²	59	73.4 Å²	73.4	31%	0.309	41%	0.406	S	S	.	.	H	α-helix	trans	-59.9	-41.3	-174.8	-72.9	-177.4	0	0	0	112.4	L405 V406 Q435 L437	L402-L405 PolarHBondContact O-N 3.42Å; L402-V406 WeakPolarHBondContact O-CG2 3.37Å; L402-V406 PolarHBondContact O-N 2.97Å; L402-V406 VanDerWaalsContact O-N 3.08Å; L402-Q435 HydrophobicContact CB-CB 4.29Å; L402-Q435 HydrophobicContact CD1-CB 3.79Å; L402-Q435 HydrophobicContact CD1-CG 4.49Å; L402-Q435 HydrophobicContact CG-CB 4.14Å; L402-Q435 PolarHBondContact N-O 3.02Å; L402-L437 HydrophobicContact CD2-CB 4.43Å; L402-L437 HydrophobicContact CD2-CD2 3.87Å
403	S	82.3	Confident	82.2	Confident	8 Å²	8	72.9 Å²	72.9	6%	0.056	40%	0.403	C	S	.	.	H	α-helix	trans	-65.7	-40.2	177.5	49.6	0	0	0	0	112.6	V401 A407 R433	V401-S403 VanDerWaalsContact C-N 3.31Å; V401-S403 WeakPolarHBondContact CG1-OG 3.49Å; V401-S403 PolarHBondContact O-N 3.22Å; S403-A407 WeakPolarHBondContact O-CB 3.36Å; S403-A407 PolarHBondContact O-N 3.32Å; S403-R433 PolarHBondContact OG-O 3.29Å
404	E	84.7	Confident	81.1	Confident	117 Å²	117	73.9 Å²	73.9	55%	0.547	40%	0.396	S	S	.	.	H	α-helix	trans	-70.5	-36.8	176.3	-59.9	178.3	178.5	0	0	112.1	V401 A407 S408	V401-E404 HydrophobicContact CB-CB 3.94Å; V401-E404 HydrophobicContact CB-CG 3.75Å; V401-E404 HydrophobicContact CG1-CB 4.5Å; V401-E404 HydrophobicContact CG1-CG 3.98Å; V401-E404 HydrophobicContact CG2-CG 4.29Å; V401-E404 WeakPolarHBondContact CG2-OE2 3.48Å; V401-E404 PolarHBondContact O-N 3.01Å; E404-A407 PolarHBondContact O-N 3.02Å; E404-S408 PolarHBondContact O-N 2.91Å
405	L	81	Confident	80	Confident	42 Å²	42	73.4 Å²	73.4	22%	0.22	39%	0.389	C	S	.	.	H	α-helix	trans	-61.2	-46.3	176	-175.2	67.8	0	0	0	111	V400 V401 L402 S408 F413	V400-L405 HydrophobicContact CG1-CB 3.81Å; V400-L405 HydrophobicContact CG1-CD1 3.98Å; V400-L405 HydrophobicContact CG1-CD2 3.6Å; V400-L405 HydrophobicContact CG1-CG 4Å; V401-L405 WeakPolarHBondContact O-CB 3.48Å; V401-L405 PolarHBondContact O-N 3.26Å; L402-L405 PolarHBondContact O-N 3.42Å; L405-S408 WeakPolarHBondContact O-CB 3.28Å; L405-S408 PolarHBondContact O-N 2.99Å; L405-S408 PolarHBondContact O-OG 3.13Å; L405-F413 HydrophobicContact CD1-CD2 4.4Å; L405-F413 HydrophobicContact CD1-CE2 3.8Å; L405-F413 HydrophobicContact CD1-CZ 4.34Å; L405-F413 HydrophobicContact CD2-CD1 4.42Å; L405-F413 HydrophobicContact CD2-CD2 4.26Å; L405-F413 HydrophobicContact CD2-CE1 3.76Å; L405-F413 HydrophobicContact CD2-CE2 3.58Å; L405-F413 HydrophobicContact CD2-CZ 3.3Å; L405-F413 HydrophobicContact CG-CD2 4.09Å; L405-F413 HydrophobicContact CG-CE2 3.71Å; L405-F413 HydrophobicContact CG-CZ 4Å
406	V	78.3	Confident	79.1	Confident	8 Å²	8	68.1 Å²	68.1	5%	0.048	36%	0.356	C	S	.	.	H	α-helix	trans	-63.3	-44.2	173.7	170.3	0	0	0	0	111	L402 S408 R409 L416 L420 F430	L402-V406 WeakPolarHBondContact O-CG2 3.37Å; L402-V406 PolarHBondContact O-N 2.97Å; L402-V406 VanDerWaalsContact O-N 3.08Å; V406-S408 PolarHBondContact O-N 3.2Å; V406-R409 PolarHBondContact O-N 3.1Å; V406-L416 HydrophobicContact CG2-CB 4.33Å; V406-L416 HydrophobicContact CG2-CD1 3.54Å; V406-L420 HydrophobicContact CG1-CD1 3.48Å; V406-L420 VanDerWaalsContact CG1-CD1 3.48Å; V406-F430 HydrophobicContact CB-CE1 3.81Å; V406-F430 HydrophobicContact CG1-CE1 4.17Å; V406-F430 HydrophobicContact CG2-CE1 3.47Å; V406-F430 VanDerWaalsContact CG2-CE1 3.47Å; V406-F430 HydrophobicContact CG2-CZ 3.72Å
407	A	80.3	Confident	78.3	Confident	57 Å²	57	64 Å²	64	47%	0.471	34%	0.339	S	S	.	.	H	α-helix	trans	-60.9	-27.6	177.6	0	0	0	0	0	113.8	S403 E404 R409 M431	S403-A407 WeakPolarHBondContact O-CB 3.36Å; S403-A407 PolarHBondContact O-N 3.32Å; E404-A407 PolarHBondContact O-N 3.02Å; A407-R409 PolarHBondContact O-N 3Å; A407-M431 HydrophobicContact CB-CE 3.81Å
408	S	81.9	Confident	77.3	Confident	73 Å²	73	66.3 Å²	66.3	51%	0.51	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-16.4	176.4	80.7	0	0	0	0	113.6	E404 L405 V406 S410	E404-S408 PolarHBondContact O-N 2.91Å; L405-S408 WeakPolarHBondContact O-CB 3.28Å; L405-S408 PolarHBondContact O-N 2.99Å; L405-S408 PolarHBondContact O-OG 3.13Å; V406-S408 PolarHBondContact O-N 3.2Å; S408-S410 PolarHBondContact O-N 3.34Å
409	R	73.2	Confident	76.5	Confident	180 Å²	180	62.9 Å²	62.9	68%	0.679	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	40	-177.6	-56.9	-172.2	-177.3	-164.3	-1.3	113.2	V406 A407	V406-R409 PolarHBondContact O-N 3.1Å; A407-R409 PolarHBondContact O-N 3Å
410	S	75.2	Confident	75.9	Confident	36 Å²	36	60.7 Å²	60.7	25%	0.252	32%	0.322	S	S	.	.			trans	-59	139.3	170.6	168.7	0	0	0	0	110	S408 D412 F413	S408-S410 PolarHBondContact O-N 3.34Å; S410-D412 PolarHBondContact O-N 3.27Å; S410-D412 VanDerWaalsContact O-N 3.11Å; S410-D412 PolarHBondContact OG-N 3.28Å; S410-F413 PolarHBondContact O-N 2.87Å
411	S	73.3	Confident	75.4	Confident	94 Å²	94	64.6 Å²	64.6	66%	0.657	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-57.4	-25.4	177.6	49.8	0	0	0	0	112.9	F413 E414	S411-F413 PolarHBondContact O-N 3.1Å; S411-E414 PolarHBondContact O-N 2.81Å
412	D	68.8	Low	74.7	Confident	122 Å²	122	69.2 Å²	69.2	65%	0.652	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-68.2	-15.3	179.2	-58.6	-32.2	0	0	0	112.8	S410	S410-D412 PolarHBondContact O-N 3.27Å; S410-D412 VanDerWaalsContact O-N 3.11Å; S410-D412 PolarHBondContact OG-N 3.28Å
413	F	69.8	Low	74.4	Confident	55 Å²	55	68.2 Å²	68.2	24%	0.241	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-120.1	18.3	-177	-59	-80.7	0	0	0	113.4	L405 S410 S411 Y415 L416 D417	L405-F413 HydrophobicContact CD1-CD2 4.4Å; L405-F413 HydrophobicContact CD1-CE2 3.8Å; L405-F413 HydrophobicContact CD1-CZ 4.34Å; L405-F413 HydrophobicContact CD2-CD1 4.42Å; L405-F413 HydrophobicContact CD2-CD2 4.26Å; L405-F413 HydrophobicContact CD2-CE1 3.76Å; L405-F413 HydrophobicContact CD2-CE2 3.58Å; L405-F413 HydrophobicContact CD2-CZ 3.3Å; L405-F413 HydrophobicContact CG-CD2 4.09Å; L405-F413 HydrophobicContact CG-CE2 3.71Å; L405-F413 HydrophobicContact CG-CZ 4Å; S410-F413 PolarHBondContact O-N 2.87Å; S411-F413 PolarHBondContact O-N 3.1Å; F413-Y415 HydrophobicContact CD1-CE1 4.22Å; F413-Y415 PolarHBondContact O-N 2.81Å; F413-Y415 VanDerWaalsContact O-N 3.08Å; F413-L416 HydrophobicContact CB-CD1 4.25Å; F413-L416 HydrophobicContact CD1-CD1 3.9Å; F413-L416 HydrophobicContact CG-CD1 4.47Å; F413-L416 WeakPolarHBondContact O-CB 3.27Å; F413-L416 PolarHBondContact O-N 2.86Å; F413-D417 PolarHBondContact O-N 2.81Å
414	E	69.9	Low	74.2	Confident	124 Å²	124	73.6 Å²	73.6	58%	0.579	39%	0.387	S	S	*	.	H	α-helix	trans	-54.1	-32.3	180	-171.4	173.7	-160.8	0	0	112.6	S411 L416 D417 D418	S411-E414 PolarHBondContact O-N 2.81Å; E414-L416 VanDerWaalsContact C-N 3.3Å; E414-L416 PolarHBondContact O-N 3.11Å; E414-D417 VanDerWaalsContact O-CB 3.3Å; E414-D417 WeakPolarHBondContact O-CB 3.44Å; E414-D417 PolarHBondContact O-N 3.08Å; E414-D418 PolarHBondContact O-N 2.78Å
415	Y	69.9	Low	73.9	Confident	81 Å²	81	74.6 Å²	74.6	32%	0.318	39%	0.392	S	S	.	.	H	α-helix	trans	-61.6	-34.7	175	75.7	-85	0	0	0	113.2	F413 C419 I489	F413-Y415 HydrophobicContact CD1-CE1 4.22Å; F413-Y415 PolarHBondContact O-N 2.81Å; F413-Y415 VanDerWaalsContact O-N 3.08Å; Y415-C419 PolarHBondContact O-N 2.94Å; Y415-C419 VanDerWaalsContact O-N 3.09Å; Y415-C419 PolarHBondContact O-SG 3.18Å; Y415-I489 HydrophobicContact CD2-CG2 4.12Å; Y415-I489 HydrophobicContact CE2-CG2 3.95Å
416	L	73.1	Confident	73.7	Confident	30 Å²	30	72.7 Å²	72.7	16%	0.157	38%	0.382	C	S	.	.	H	α-helix	trans	-70.8	-39.8	175.9	-68.1	176.5	0	0	0	110.6	V406 F413 E414 D418 C419 L420	V406-L416 HydrophobicContact CG2-CB 4.33Å; V406-L416 HydrophobicContact CG2-CD1 3.54Å; F413-L416 HydrophobicContact CB-CD1 4.25Å; F413-L416 HydrophobicContact CD1-CD1 3.9Å; F413-L416 HydrophobicContact CG-CD1 4.47Å; F413-L416 WeakPolarHBondContact O-CB 3.27Å; F413-L416 PolarHBondContact O-N 2.86Å; E414-L416 VanDerWaalsContact C-N 3.3Å; E414-L416 PolarHBondContact O-N 3.11Å; L416-D418 VanDerWaalsContact C-N 3.29Å; L416-D418 PolarHBondContact O-N 3.01Å; L416-C419 WeakPolarHBondContact O-CB 3.08Å; L416-C419 PolarHBondContact O-N 2.81Å; L416-C419 VanDerWaalsContact O-N 3.15Å; L416-L420 WeakPolarHBondContact O-CB 3.44Å; L416-L420 VanDerWaalsContact O-CG 3.25Å; L416-L420 WeakPolarHBondContact O-CG 3.43Å; L416-L420 PolarHBondContact O-N 2.9Å
417	D	70.8	Confident	73.7	Confident	27 Å²	27	75.4 Å²	75.4	14%	0.144	39%	0.394	C	S	.	.	H	α-helix	trans	-57.6	-44.5	174.4	-101.4	18.1	0	0	0	111.1	F413 E414 C419 K421	F413-D417 PolarHBondContact O-N 2.81Å; E414-D417 VanDerWaalsContact O-CB 3.3Å; E414-D417 WeakPolarHBondContact O-CB 3.44Å; E414-D417 PolarHBondContact O-N 3.08Å; D417-C419 VanDerWaalsContact C-N 3.34Å; D417-K421 WeakPolarHBondContact O-CB 3.29Å; D417-K421 WeakPolarHBondContact O-CD 3.44Å; D417-K421 WeakPolarHBondContact O-CG 3.41Å; D417-K421 PolarHBondContact O-N 3.01Å; D417-K421 IonicContact OD2-NZ 3.23Å
418	D	69.2	Low	73.8	Confident	97 Å²	97	79 Å²	79	52%	0.519	40%	0.401	S	S	.	.	H	α-helix	trans	-64.8	-38	176	-74.9	-12.7	0	0	0	112.2	E414 L416 T422	E414-D418 PolarHBondContact O-N 2.78Å; L416-D418 VanDerWaalsContact C-N 3.29Å; L416-D418 PolarHBondContact O-N 3.01Å; D418-T422 WeakPolarHBondContact O-CG2 3.44Å
419	C	68.5	Low	73.7	Confident	14 Å²	14	77.4 Å²	77.4	10%	0.095	39%	0.387	C	S	.	.	H	α-helix	trans	-65.5	-50.6	175.4	-65	0	0	0	0	111.6	Y415 L416 D417 T422 L487	Y415-C419 PolarHBondContact O-N 2.94Å; Y415-C419 VanDerWaalsContact O-N 3.09Å; Y415-C419 PolarHBondContact O-SG 3.18Å; L416-C419 WeakPolarHBondContact O-CB 3.08Å; L416-C419 PolarHBondContact O-N 2.81Å; L416-C419 VanDerWaalsContact O-N 3.15Å; D417-C419 VanDerWaalsContact C-N 3.34Å; C419-T422 PolarHBondContact O-N 3.16Å; C419-T422 PolarHBondContact O-OG1 2.92Å; C419-L487 HydrophobicContact CB-CD1 4.1Å; C419-L487 HydrophobicContact CB-CD2 3.62Å; C419-L487 HydrophobicContact CB-CG 4.44Å
420	L	73.5	Confident	74	Confident	9 Å²	9	71.1 Å²	71.1	5%	0.047	36%	0.364	C	S	.	.	H	α-helix	trans	-73.4	-32.6	-171.5	-65.9	173.1	0	0	0	112.9	V406 L416 T422 N423 V426 Q427 F430	V406-L420 HydrophobicContact CG1-CD1 3.48Å; V406-L420 VanDerWaalsContact CG1-CD1 3.48Å; L416-L420 WeakPolarHBondContact O-CB 3.44Å; L416-L420 VanDerWaalsContact O-CG 3.25Å; L416-L420 WeakPolarHBondContact O-CG 3.43Å; L416-L420 PolarHBondContact O-N 2.9Å; L420-T422 PolarHBondContact O-N 3.3Å; L420-T422 VanDerWaalsContact O-N 3.16Å; L420-N423 PolarHBondContact O-N 3.25Å; L420-V426 HydrophobicContact CD2-CG1 3.87Å; L420-Q427 HydrophobicContact CB-CB 4.44Å; L420-Q427 HydrophobicContact CB-CG 4.42Å; L420-F430 HydrophobicContact CD1-CD1 4Å; L420-F430 HydrophobicContact CD1-CE1 4.4Å; L420-F430 HydrophobicContact CD1-CG 4.23Å; L420-F430 HydrophobicContact CD2-CB 3.8Å; L420-F430 HydrophobicContact CD2-CD2 4.3Å; L420-F430 HydrophobicContact CD2-CG 3.97Å
421	K	71.7	Confident	74.2	Confident	118 Å²	118	72.7 Å²	72.7	51%	0.513	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17	176.7	-75.5	167.2	-165.4	156.6	0	113.7	D417 N423	D417-K421 WeakPolarHBondContact O-CB 3.29Å; D417-K421 WeakPolarHBondContact O-CD 3.44Å; D417-K421 WeakPolarHBondContact O-CG 3.41Å; D417-K421 PolarHBondContact O-N 3.01Å; D417-K421 IonicContact OD2-NZ 3.23Å; K421-N423 VanDerWaalsContact C-N 3.27Å; K421-N423 PolarHBondContact O-N 3.19Å
422	T	70.6	Confident	74.6	Confident	102 Å²	102	72 Å²	72	63%	0.626	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-20.8	-179.1	62.8	0	0	0	0	113.2	D418 C419 L420	D418-T422 WeakPolarHBondContact O-CG2 3.44Å; C419-T422 PolarHBondContact O-N 3.16Å; C419-T422 PolarHBondContact O-OG1 2.92Å; L420-T422 PolarHBondContact O-N 3.3Å; L420-T422 VanDerWaalsContact O-N 3.16Å
423	N	75.2	Confident	75.2	Confident	39 Å²	39	70.7 Å²	70.7	21%	0.209	35%	0.35	C	S	.	.			trans	-151.3	111.3	-175.3	-177.7	-35	0	0	0	111.2	L420 K421 E425 V426 Q427 G483	L420-N423 PolarHBondContact O-N 3.25Å; K421-N423 VanDerWaalsContact C-N 3.27Å; K421-N423 PolarHBondContact O-N 3.19Å; N423-E425 VanDerWaalsContact C-N 3.3Å; N423-E425 PolarHBondContact O-N 2.76Å; N423-E425 WeakPolarHBondContact OD1-CA 3.34Å; N423-E425 WeakPolarHBondContact OD1-CB 3.27Å; N423-E425 PolarHBondContact OD1-N 2.58Å; N423-V426 HydrophobicContact CB-CB 3.89Å; N423-V426 HydrophobicContact CB-CG2 3.89Å; N423-V426 WeakPolarHBondContact O-CB 3.37Å; N423-V426 PolarHBondContact O-N 2.79Å; N423-V426 PolarHBondContact OD1-N 3.16Å; N423-Q427 PolarHBondContact O-N 2.83Å; N423-G483 WeakPolarHBondContact ND2-CA 3.33Å
424	D	78.5	Confident	75.6	Confident	120 Å²	120	69.3 Å²	69.3	64%	0.642	35%	0.346	S	S	*	.	H	α-helix	trans	-60	-36.5	-179.7	-70.3	-23.4	0	0	0	112.6	Q427 Q428	D424-Q427 PolarHBondContact O-N 3.15Å; D424-Q428 VanDerWaalsContact O-CG 3.32Å; D424-Q428 WeakPolarHBondContact O-CG 3.43Å; D424-Q428 PolarHBondContact O-N 3.08Å
425	E	79.1	Confident	76.1	Confident	138 Å²	138	67.1 Å²	67.1	65%	0.645	34%	0.336	S	S	*	.	H	α-helix	trans	-66.6	-43	178.2	-60	-179.3	171.7	0	0	111.1	N423 Q427 Q428 L429	N423-E425 VanDerWaalsContact C-N 3.3Å; N423-E425 PolarHBondContact O-N 2.76Å; N423-E425 WeakPolarHBondContact OD1-CA 3.34Å; N423-E425 WeakPolarHBondContact OD1-CB 3.27Å; N423-E425 PolarHBondContact OD1-N 2.58Å; E425-Q427 VanDerWaalsContact C-N 3.34Å; E425-Q428 PolarHBondContact O-N 3.44Å; E425-L429 VanDerWaalsContact O-CB 3.31Å; E425-L429 WeakPolarHBondContact O-CB 3.43Å; E425-L429 PolarHBondContact O-N 3.27Å
426	V	76.2	Confident	76.3	Confident	3 Å²	3	64.1 Å²	64.1	2%	0.018	33%	0.326	C	S	.	.	H	α-helix	trans	-61.6	-43.3	173.5	163.6	0	0	0	0	111	L420 N423 L429 F430 P482 F484	L420-V426 HydrophobicContact CD2-CG1 3.87Å; N423-V426 HydrophobicContact CB-CB 3.89Å; N423-V426 HydrophobicContact CB-CG2 3.89Å; N423-V426 WeakPolarHBondContact O-CB 3.37Å; N423-V426 PolarHBondContact O-N 2.79Å; N423-V426 PolarHBondContact OD1-N 3.16Å; V426-L429 PolarHBondContact O-N 3.41Å; V426-F430 WeakPolarHBondContact O-CB 3.46Å; V426-F430 PolarHBondContact O-N 3.27Å; V426-P482 WeakPolarHBondContact CG2-O 3.29Å; V426-F484 HydrophobicContact CB-CE2 4.35Å; V426-F484 HydrophobicContact CB-CZ 4.31Å; V426-F484 HydrophobicContact CG1-CD1 4.13Å; V426-F484 HydrophobicContact CG1-CD2 4.34Å; V426-F484 HydrophobicContact CG1-CE1 3.44Å; V426-F484 VanDerWaalsContact CG1-CE1 3.44Å; V426-F484 HydrophobicContact CG1-CE2 3.69Å; V426-F484 HydrophobicContact CG1-CZ 3.21Å; V426-F484 HydrophobicContact CG2-CD2 4.03Å; V426-F484 HydrophobicContact CG2-CE2 3.93Å; V426-F484 HydrophobicContact CG2-CZ 4.32Å
427	Q	78.9	Confident	76.3	Confident	65 Å²	65	64.1 Å²	64.1	30%	0.304	33%	0.326	S	S	.	.	H	α-helix	trans	-61	-49.4	176.5	-173.8	179.8	3	0	0	111.1	L420 N423 D424 E425 L429 F430 M431	L420-Q427 HydrophobicContact CB-CB 4.44Å; L420-Q427 HydrophobicContact CB-CG 4.42Å; N423-Q427 PolarHBondContact O-N 2.83Å; D424-Q427 PolarHBondContact O-N 3.15Å; E425-Q427 VanDerWaalsContact C-N 3.34Å; Q427-L429 VanDerWaalsContact C-N 3.28Å; Q427-L429 PolarHBondContact O-N 2.97Å; Q427-F430 PolarHBondContact O-N 3.4Å; Q427-M431 HydrophobicContact CG-CG 4.39Å; Q427-M431 WeakPolarHBondContact O-CB 3.28Å; Q427-M431 WeakPolarHBondContact O-CG 3.38Å; Q427-M431 PolarHBondContact O-N 3.15Å
428	Q	81.6	Confident	76	Confident	131 Å²	131	64.4 Å²	64.4	61%	0.612	33%	0.326	S	S	*	.	H	α-helix	trans	-59.9	-41.6	177.9	-69.5	-51.3	-41.3	0	0	111.8	D424 E425 M431 S432	D424-Q428 VanDerWaalsContact O-CG 3.32Å; D424-Q428 WeakPolarHBondContact O-CG 3.43Å; D424-Q428 PolarHBondContact O-N 3.08Å; E425-Q428 PolarHBondContact O-N 3.44Å; Q428-M431 PolarHBondContact O-N 3.21Å; Q428-S432 WeakPolarHBondContact O-CB 3.46Å; Q428-S432 PolarHBondContact O-N 2.63Å
429	L	79.6	Confident	75.9	Confident	40 Å²	40	63 Å²	63	21%	0.209	32%	0.316	C	S	.	.	H	α-helix	trans	-61.9	-52.7	176.3	178.8	77	0	0	0	111.7	E425 V426 Q427 M431 S432 R433 F481	E425-L429 VanDerWaalsContact O-CB 3.31Å; E425-L429 WeakPolarHBondContact O-CB 3.43Å; E425-L429 PolarHBondContact O-N 3.27Å; V426-L429 PolarHBondContact O-N 3.41Å; Q427-L429 VanDerWaalsContact C-N 3.28Å; Q427-L429 PolarHBondContact O-N 2.97Å; L429-M431 VanDerWaalsContact C-N 3.28Å; L429-M431 PolarHBondContact O-N 3.3Å; L429-S432 WeakPolarHBondContact O-CB 3.14Å; L429-S432 PolarHBondContact O-N 3.15Å; L429-S432 PolarHBondContact O-OG 3.4Å; L429-R433 VanDerWaalsContact O-CG 3.29Å; L429-R433 WeakPolarHBondContact O-CG 3.35Å; L429-F481 HydrophobicContact CD1-CD1 3.76Å; L429-F481 HydrophobicContact CD1-CE1 3.68Å; L429-F481 HydrophobicContact CD2-CB 3.46Å; L429-F481 VanDerWaalsContact CD2-CB 3.46Å; L429-F481 HydrophobicContact CD2-CD1 3.03Å; L429-F481 HydrophobicContact CD2-CD2 3.89Å; L429-F481 HydrophobicContact CD2-CE1 3.69Å; L429-F481 HydrophobicContact CD2-CE2 4.43Å; L429-F481 HydrophobicContact CD2-CG 3.15Å; L429-F481 HydrophobicContact CD2-CZ 4.35Å; L429-F481 HydrophobicContact CG-CD1 3.98Å; L429-F481 HydrophobicContact CG-CE1 4.23Å; L429-F481 HydrophobicContact CG-CG 4.42Å
430	F	80.4	Confident	75.1	Confident	49 Å²	49	65.7 Å²	65.7	22%	0.215	33%	0.333	C	S	.	.	H	α-helix	trans	-56.8	-45	179.3	-175.8	-85.4	0	0	0	111	V406 L420 V426 Q427 S432 R433	V406-F430 HydrophobicContact CB-CE1 3.81Å; V406-F430 HydrophobicContact CG1-CE1 4.17Å; V406-F430 HydrophobicContact CG2-CE1 3.47Å; V406-F430 VanDerWaalsContact CG2-CE1 3.47Å; V406-F430 HydrophobicContact CG2-CZ 3.72Å; L420-F430 HydrophobicContact CD1-CD1 4Å; L420-F430 HydrophobicContact CD1-CE1 4.4Å; L420-F430 HydrophobicContact CD1-CG 4.23Å; L420-F430 HydrophobicContact CD2-CB 3.8Å; L420-F430 HydrophobicContact CD2-CD2 4.3Å; L420-F430 HydrophobicContact CD2-CG 3.97Å; V426-F430 WeakPolarHBondContact O-CB 3.46Å; V426-F430 PolarHBondContact O-N 3.27Å; Q427-F430 PolarHBondContact O-N 3.4Å; F430-S432 PolarHBondContact O-N 2.91Å; F430-R433 WeakPolarHBondContact O-CB 3.31Å; F430-R433 PolarHBondContact O-N 3.42Å; F430-R433 VanDerWaalsContact O-N 3.16Å
431	M	79.7	Confident	74	Confident	69 Å²	69	71.5 Å²	71.5	34%	0.34	36%	0.364	S	S	.	.	H	α-helix	trans	-64.2	-26.5	177.8	-68.9	-52.8	-60.5	0	0	113.6	A407 Q427 Q428 L429 R433	A407-M431 HydrophobicContact CB-CE 3.81Å; Q427-M431 HydrophobicContact CG-CG 4.39Å; Q427-M431 WeakPolarHBondContact O-CB 3.28Å; Q427-M431 WeakPolarHBondContact O-CG 3.38Å; Q427-M431 PolarHBondContact O-N 3.15Å; Q428-M431 PolarHBondContact O-N 3.21Å; L429-M431 VanDerWaalsContact C-N 3.28Å; L429-M431 PolarHBondContact O-N 3.3Å; M431-R433 VanDerWaalsContact C-N 3.27Å; M431-R433 PolarHBondContact O-N 2.99Å
432	S	82.1	Confident	73.3	Confident	79 Å²	79	74.3 Å²	74.3	55%	0.552	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-11.6	177.4	76.1	0	0	0	0	113.9	Q428 L429 F430	Q428-S432 WeakPolarHBondContact O-CB 3.46Å; Q428-S432 PolarHBondContact O-N 2.63Å; L429-S432 WeakPolarHBondContact O-CB 3.14Å; L429-S432 PolarHBondContact O-N 3.15Å; L429-S432 PolarHBondContact O-OG 3.4Å; F430-S432 PolarHBondContact O-N 2.91Å
433	R	80	Confident	72.9	Confident	94 Å²	94	79.5 Å²	79.5	36%	0.355	39%	0.393	S	S	.	.			trans	-89.8	131.8	-168.1	-64.9	-78.7	169.1	-175.5	-3.1	111.8	S403 L429 F430 M431 Q435	S403-R433 PolarHBondContact OG-O 3.29Å; L429-R433 VanDerWaalsContact O-CG 3.29Å; L429-R433 WeakPolarHBondContact O-CG 3.35Å; F430-R433 WeakPolarHBondContact O-CB 3.31Å; F430-R433 PolarHBondContact O-N 3.42Å; F430-R433 VanDerWaalsContact O-N 3.16Å; M431-R433 VanDerWaalsContact C-N 3.27Å; M431-R433 PolarHBondContact O-N 2.99Å; R433-Q435 PolarHBondContact O-N 2.9Å
434	P	78.6	Confident	73.1	Confident	27 Å²	27	81 Å²	81	18%	0.175	40%	0.403	C	S	.	.			trans	-95.6	44.8	-169.5	40	-40.4	0	0	0	113.8	K375 V376 I379	K375-P434 HydrophobicContact CB-CB 4.19Å; K375-P434 WeakPolarHBondContact CB-O 3.17Å; K375-P434 HydrophobicContact CD-CG 4.39Å; K375-P434 WeakPolarHBondContact CD-O 3.31Å; K375-P434 VanDerWaalsContact CG-O 3.32Å; K375-P434 WeakPolarHBondContact CG-O 3.31Å; V376-P434 HydrophobicContact CG2-CB 3.51Å; I379-P434 HydrophobicContact CD1-CB 3.62Å; I379-P434 HydrophobicContact CD1-CG 3.42Å; I379-P434 VanDerWaalsContact CD1-CG 3.42Å
435	Q	80.1	Confident	73.4	Confident	77 Å²	77	77 Å²	77	36%	0.36	39%	0.385	S	S	.	.			trans	-81.3	137.9	-178	-71.7	74.9	57.8	0	0	112.3	V401 L402 R433	V401-Q435 CarbonylContact C-O 3.54Å; V401-Q435 VanDerWaalsContact CA-O 3.31Å; V401-Q435 WeakPolarHBondContact CA-O 3.47Å; V401-Q435 WeakPolarHBondContact CG1-O 3.38Å; L402-Q435 HydrophobicContact CB-CB 4.29Å; L402-Q435 HydrophobicContact CD1-CB 3.79Å; L402-Q435 HydrophobicContact CD1-CG 4.49Å; L402-Q435 HydrophobicContact CG-CB 4.14Å; L402-Q435 PolarHBondContact N-O 3.02Å; R433-Q435 PolarHBondContact O-N 2.9Å
436	V	74.6	Confident	73.8	Confident	18 Å²	18	72.1 Å²	72.1	11%	0.109	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	146.7	176.7	-179.9	0	0	0	0	109.8	L383 V400 V401	L383-V436 HydrophobicContact CD1-CB 4.41Å; L383-V436 WeakPolarHBondContact CD1-O 3.5Å; V400-V436 CarbonylContact O-C 3.58Å; V400-V436 WeakPolarHBondContact O-CA 3.35Å; V401-V436 HydrophobicContact CG2-CG2 4.18Å
437	L	73.8	Confident	74.6	Confident	31 Å²	31	73.9 Å²	73.9	16%	0.162	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	143.4	-177	-174.2	61.5	0	0	0	109.4	V400 L402 F439 F448	V400-L437 WeakPolarHBondContact CA-O 3.34Å; V400-L437 HydrophobicContact CB-CB 4.34Å; V400-L437 WeakPolarHBondContact CB-O 3.28Å; V400-L437 PolarHBondContact N-O 3.38Å; V400-L437 PolarHBondContact O-N 2.63Å; L402-L437 HydrophobicContact CD2-CB 4.43Å; L402-L437 HydrophobicContact CD2-CD2 3.87Å; L437-F439 HydrophobicContact CD1-CD2 4.03Å; L437-F439 HydrophobicContact CD1-CE1 4.44Å; L437-F439 HydrophobicContact CD1-CE2 3.37Å; L437-F439 HydrophobicContact CD1-CZ 3.57Å; L437-F439 HydrophobicContact CD2-CD2 3.5Å; L437-F439 HydrophobicContact CD2-CE2 3.08Å; L437-F439 HydrophobicContact CD2-CZ 4.1Å; L437-F439 HydrophobicContact CG-CD2 3.45Å; L437-F439 VanDerWaalsContact CG-CD2 3.45Å; L437-F439 HydrophobicContact CG-CE2 3.2Å; L437-F439 HydrophobicContact CG-CG 4.44Å; L437-F439 HydrophobicContact CG-CZ 3.96Å; L437-F448 HydrophobicContact CD1-CD2 3.81Å; L437-F448 HydrophobicContact CD1-CE2 3.24Å; L437-F448 HydrophobicContact CD1-CZ 4.14Å
438	Q	64.9	Low	75.2	Confident	32 Å²	32	72.4 Å²	72.4	15%	0.15	37%	0.366	C	S	.	.			trans	-123.2	122.4	178.2	-67.1	-176.1	-33.3	0	0	109.9	I385 N399	I385-Q438 HydrophobicContact CD1-CB 4.41Å; I385-Q438 VanDerWaalsContact CG1-OE1 3.31Å; N399-Q438 PolarHBondContact OD1-NE2 2.75Å
439	F	66	Low	75.8	Confident	68 Å²	68	67.1 Å²	67.1	30%	0.298	34%	0.344	S	S	.	.			trans	-147.1	156.6	179.3	-71.1	-54.3	0	0	0	113.5	L437 V446 F448	L437-F439 HydrophobicContact CD1-CD2 4.03Å; L437-F439 HydrophobicContact CD1-CE1 4.44Å; L437-F439 HydrophobicContact CD1-CE2 3.37Å; L437-F439 HydrophobicContact CD1-CZ 3.57Å; L437-F439 HydrophobicContact CD2-CD2 3.5Å; L437-F439 HydrophobicContact CD2-CE2 3.08Å; L437-F439 HydrophobicContact CD2-CZ 4.1Å; L437-F439 HydrophobicContact CG-CD2 3.45Å; L437-F439 VanDerWaalsContact CG-CD2 3.45Å; L437-F439 HydrophobicContact CG-CE2 3.2Å; L437-F439 HydrophobicContact CG-CG 4.44Å; L437-F439 HydrophobicContact CG-CZ 3.96Å; F439-V446 HydrophobicContact CD1-CG1 3.76Å; F439-V446 HydrophobicContact CE1-CG1 3.64Å; F439-F448 HydrophobicContact CE1-CB 3.97Å; F439-F448 AromaticContact CE1-CD2 3.77Å; F439-F448 HydrophobicContact CE1-CD2 3.77Å; F439-F448 HydrophobicContact CE1-CG 4.17Å; F439-F448 HydrophobicContact CZ-CB 4.2Å; F439-F448 AromaticContact CZ-CD2 3.46Å; F439-F448 HydrophobicContact CZ-CD2 3.46Å; F439-F448 VanDerWaalsContact CZ-CD2 3.46Å; F439-F448 HydrophobicContact CZ-CE2 4.11Å; F439-F448 AromaticContact CZ-CG 3.94Å; F439-F448 HydrophobicContact CZ-CG 3.94Å
440	P	51.3	Low	76.5	Confident	70 Å²	70	65.5 Å²	65.5	46%	0.455	34%	0.337	S	S	.	.			trans	-88.4	155.7	173.4	33.1	-32.3	0	0	0	114.6	V444	P440-V444 HydrophobicContact CB-CB 4.39Å; P440-V444 HydrophobicContact CB-CG1 4.28Å; P440-V444 HydrophobicContact CB-CG2 4.42Å; P440-V444 HydrophobicContact CG-CB 3.99Å; P440-V444 HydrophobicContact CG-CG1 3.76Å
441	D	52.1	Low	77.3	Confident	132 Å²	132	64.4 Å²	64.4	71%	0.706	33%	0.333	S	S	*	.	S	Bend	trans	-99.3	16	-170.3	-174.5	32.9	0	0	0	115.1
442	K	55.7	Low	77.9	Confident	176 Å²	176	63 Å²	63	77%	0.765	33%	0.327	S	S	*	.	S	Bend	trans	-137.2	170.4	-179.1	-68.4	-171.8	179.2	-179.8	0	111.1	V444	K442-V444 VanDerWaalsContact C-N 3.27Å; K442-V444 HydrophobicContact CB-CG2 4.02Å; K442-V444 WeakPolarHBondContact O-CB 3.37Å; K442-V444 VanDerWaalsContact O-CG2 3.29Å; K442-V444 WeakPolarHBondContact O-CG2 3.45Å; K442-V444 PolarHBondContact O-N 2.88Å
443	H	63.4	Low	78.5	Confident	211 Å²	211	64.6 Å²	64.6	98%	0.977	33%	0.329	S	S	*	.	S	Bend	trans	-59.6	90.5	172.7	-144.1	-73.9	0	0	0	109.3
444	V	78.2	Confident	79.1	Confident	70 Å²	70	60.5 Å²	60.5	42%	0.424	32%	0.315	S	S	.	.			trans	-137.2	139.7	-168.1	174.4	0	0	0	0	106.2	P440 K442 V446	P440-V444 HydrophobicContact CB-CB 4.39Å; P440-V444 HydrophobicContact CB-CG1 4.28Å; P440-V444 HydrophobicContact CB-CG2 4.42Å; P440-V444 HydrophobicContact CG-CB 3.99Å; P440-V444 HydrophobicContact CG-CG1 3.76Å; K442-V444 VanDerWaalsContact C-N 3.27Å; K442-V444 HydrophobicContact CB-CG2 4.02Å; K442-V444 WeakPolarHBondContact O-CB 3.37Å; K442-V444 VanDerWaalsContact O-CG2 3.29Å; K442-V444 WeakPolarHBondContact O-CG2 3.45Å; K442-V444 PolarHBondContact O-N 2.88Å; V444-V446 WeakPolarHBondContact O-CG2 3.24Å; V444-V446 PolarHBondContact O-N 3.01Å
445	S	85	Confident	79.9	Confident	36 Å²	36	60.6 Å²	60.6	25%	0.252	32%	0.315	S	S	.	.			trans	-62.6	121.6	171.3	-51.7	0	0	0	0	109.5	E523 F524	S445-E523 WeakPolarHBondContact CA-OE1 3.41Å; S445-E523 WeakPolarHBondContact CB-OE1 3.37Å; S445-E523 WeakPolarHBondContact OG-CG 3.45Å; S445-E523 PolarHBondContact OG-OE1 2.87Å; S445-F524 VanDerWaalsContact CB-CE2 3.43Å
446	V	87.3	Confident	80.6	Confident	36 Å²	36	58.2 Å²	58.2	22%	0.218	31%	0.306	C	S	.	.			trans	-98.5	132.2	-174.5	-177.1	0	0	0	0	109.3	F439 V444 M495 A520 S521 F524	F439-V446 HydrophobicContact CD1-CG1 3.76Å; F439-V446 HydrophobicContact CE1-CG1 3.64Å; V444-V446 WeakPolarHBondContact O-CG2 3.24Å; V444-V446 PolarHBondContact O-N 3.01Å; V446-M495 HydrophobicContact CB-CE 4.1Å; V446-M495 HydrophobicContact CG1-CE 3.75Å; V446-A520 CarbonylContact O-C 3.47Å; V446-A520 VanDerWaalsContact O-CA 3.24Å; V446-A520 WeakPolarHBondContact O-CA 3.18Å; V446-S521 PolarHBondContact N-OG 3.46Å; V446-S521 PolarHBondContact O-N 3.22Å; V446-F524 WeakPolarHBondContact O-CE2 3.49Å
447	L	92.3	Very high	81.4	Confident	40 Å²	40	64 Å²	64	21%	0.209	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	130.4	161.9	-70.8	168.6	0	0	0	107.6	L344 L498 A520 F524 I560	L344-L447 HydrophobicContact CD2-CD1 3.82Å; L447-L498 HydrophobicContact CD2-CD1 4.28Å; L447-A520 HydrophobicContact CD2-CB 3.73Å; L447-F524 HydrophobicContact CD1-CE1 3.83Å; L447-F524 HydrophobicContact CD1-CZ 3.81Å; L447-F524 HydrophobicContact CD2-CD1 3.93Å; L447-F524 HydrophobicContact CD2-CD2 3.97Å; L447-F524 HydrophobicContact CD2-CE1 3.87Å; L447-F524 HydrophobicContact CD2-CE2 3.86Å; L447-F524 HydrophobicContact CD2-CG 3.97Å; L447-F524 HydrophobicContact CD2-CZ 3.84Å; L447-F524 HydrophobicContact CG-CD1 4.44Å; L447-F524 HydrophobicContact CG-CD2 4.4Å; L447-F524 HydrophobicContact CG-CE1 3.87Å; L447-F524 HydrophobicContact CG-CE2 3.78Å; L447-F524 HydrophobicContact CG-CZ 3.5Å; L447-I560 HydrophobicContact CD1-CD1 3.66Å; L447-I560 HydrophobicContact CD2-CD1 3.82Å; L447-I560 HydrophobicContact CG-CD1 4.41Å
448	F	93.2	Very high	82.3	Confident	34 Å²	34	65.2 Å²	65.2	15%	0.149	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	113.3	177.7	176.6	-118.5	0	0	0	108.8	L437 F439 L452 L464 M495 Y519	L437-F448 HydrophobicContact CD1-CD2 3.81Å; L437-F448 HydrophobicContact CD1-CE2 3.24Å; L437-F448 HydrophobicContact CD1-CZ 4.14Å; F439-F448 HydrophobicContact CE1-CB 3.97Å; F439-F448 AromaticContact CE1-CD2 3.77Å; F439-F448 HydrophobicContact CE1-CD2 3.77Å; F439-F448 HydrophobicContact CE1-CG 4.17Å; F439-F448 HydrophobicContact CZ-CB 4.2Å; F439-F448 AromaticContact CZ-CD2 3.46Å; F439-F448 HydrophobicContact CZ-CD2 3.46Å; F439-F448 VanDerWaalsContact CZ-CD2 3.46Å; F439-F448 HydrophobicContact CZ-CE2 4.11Å; F439-F448 AromaticContact CZ-CG 3.94Å; F439-F448 HydrophobicContact CZ-CG 3.94Å; F448-L452 HydrophobicContact CE1-CD1 4.41Å; F448-L452 HydrophobicContact CE1-CD2 4.11Å; F448-L452 HydrophobicContact CZ-CD2 3.95Å; F448-L464 HydrophobicContact CD1-CD1 4.27Å; F448-L464 HydrophobicContact CE1-CD1 3.82Å; F448-L464 HydrophobicContact CE1-CD2 4.45Å; F448-M495 HydrophobicContact CB-CE 3.81Å; F448-M495 HydrophobicContact CB-SD 4.09Å; F448-Y519 AromaticContact CD1-CD2 3.63Å; F448-Y519 HydrophobicContact CD1-CD2 3.63Å; F448-Y519 HydrophobicContact CD1-CE2 4.42Å; F448-Y519 HydrophobicContact CD1-CG 4.35Å; F448-Y519 HydrophobicContact CE1-CD2 4.12Å; F448-Y519 PolarHBondContact N-O 3.01Å; F448-Y519 PolarHBondContact O-N 3.31Å
449	C	94.6	Very high	83.5	Confident	21 Å²	21	63.8 Å²	63.8	14%	0.142	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.9	-174.8	-51.6	0	0	0	0	109.9	C346 Y517 V518	C346-C449 HydrophobicContact CB-CB 3.91Å; C449-Y517 WeakPolarHBondContact CA-O 3.28Å; C449-V518 HydrophobicContact CB-CG2 4.47Å
450	G	93.8	Very high	84.6	Confident	6 Å²	6	62.6 Å²	62.6	6%	0.062	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.2	170.2	167.9	0	0	0	0	0	114.6	D516 Y517	G450-D516 WeakPolarHBondContact O-CA 3.2Å; G450-Y517 PolarHBondContact N-O 3.48Å; G450-Y517 VanDerWaalsContact N-O 3.1Å; G450-Y517 PolarHBondContact O-N 3.25Å
451	D	95.7	Very high	86.6	Confident	26 Å²	26	60.8 Å²	60.8	14%	0.139	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	118.5	164	173.3	16.3	0	0	0	109.4	N298 N453 D516 H553	N298-D451 HydrophobicContact CB-CB 4.42Å; N298-D451 PolarHBondContact ND2-OD2 3.41Å; N298-D451 VanDerWaalsContact ND2-OD2 3.15Å; D451-N453 PolarHBondContact OD1-N 2.78Å; D451-N453 PolarHBondContact OD1-ND2 3.11Å; D451-N453 PolarHBondContact OD2-ND2 2.99Å; D451-N453 VanDerWaalsContact OD2-ND2 3.13Å; D451-D516 WeakPolarHBondContact CB-OD1 3.49Å; D451-H553 IonicContact OD1-CE1 3.25Å; D451-H553 IonicContact OD2-CE1 3.78Å; D451-H553 PolarHBondContact OD2-CE1 3.2Å; D451-H553 IonicContact OD2-NE2 3.53Å
452	L	94.3	Very high	88.5	Confident	40 Å²	40	57.3 Å²	57.3	21%	0.209	29%	0.292	C	S	.	.			trans	-103.9	1.1	-179.7	-59.6	-172.3	0	0	0	113.1	F448 S454 V460 L464 L515 Y517 Y519	F448-L452 HydrophobicContact CE1-CD1 4.41Å; F448-L452 HydrophobicContact CE1-CD2 4.11Å; F448-L452 HydrophobicContact CZ-CD2 3.95Å; L452-S454 PolarHBondContact O-N 3.05Å; L452-S454 PolarHBondContact O-OG 3.38Å; L452-V460 HydrophobicContact CB-CG1 4.4Å; L452-V460 HydrophobicContact CD1-CG1 3.83Å; L452-L464 HydrophobicContact CD1-CD1 3.67Å; L452-L515 PolarHBondContact N-O 3.47Å; L452-Y517 HydrophobicContact CB-CD2 4.12Å; L452-Y517 HydrophobicContact CB-CE2 4.27Å; L452-Y517 HydrophobicContact CD1-CD2 3.72Å; L452-Y517 HydrophobicContact CD1-CE2 4.35Å; L452-Y517 HydrophobicContact CD1-CG 4.38Å; L452-Y517 HydrophobicContact CG-CD2 3.89Å; L452-Y519 HydrophobicContact CD1-CE2 3.74Å
453	N	93	Very high	90.2	Very high	111 Å²	111	51 Å²	51	59%	0.594	27%	0.267	S	S	*	.	S	Bend	trans	46.6	35.1	-175.4	-77.5	-80.9	0	0	0	112.8	D451	D451-N453 PolarHBondContact OD1-N 2.78Å; D451-N453 PolarHBondContact OD1-ND2 3.11Å; D451-N453 PolarHBondContact OD2-ND2 2.99Å; D451-N453 VanDerWaalsContact OD2-ND2 3.13Å
454	S	93.5	Very high	91.6	Very high	9 Å²	9	42.3 Å²	42.3	6%	0.063	23%	0.227	C	C	.	.			trans	-140.5	134.9	-176.1	-63.7	0	0	0	0	109.1	L452 V460 Y517	L452-S454 PolarHBondContact O-N 3.05Å; L452-S454 PolarHBondContact O-OG 3.38Å; S454-V460 WeakPolarHBondContact OG-CG2 3.45Å; S454-Y517 VanDerWaalsContact O-CE2 3.27Å; S454-Y517 WeakPolarHBondContact O-CE2 3.46Å; S454-Y517 PolarHBondContact O-OH 2.63Å
455	T	95.1	Very high	92.3	Very high	29 Å²	29	40.9 Å²	40.9	18%	0.178	22%	0.218	C	C	.	.			trans	-83	165.7	176	73.1	0	0	0	0	111.6	E457 M458 F511 C514 L515	T455-E457 VanDerWaalsContact CB-OE2 3.26Å; T455-E457 WeakPolarHBondContact CB-OE2 3.12Å; T455-E457 PolarHBondContact O-N 2.92Å; T455-E457 VanDerWaalsContact O-N 3.1Å; T455-E457 PolarHBondContact OG1-OE2 2.78Å; T455-M458 HydrophobicContact CG2-SD 4.49Å; T455-M458 PolarHBondContact N-SD 3.36Å; T455-M458 VanDerWaalsContact O-CB 3.31Å; T455-M458 WeakPolarHBondContact O-CB 3.33Å; T455-M458 PolarHBondContact O-N 3.27Å; T455-F511 HydrophobicContact CG2-CE2 4.34Å; T455-F511 HydrophobicContact CG2-CZ 4.08Å; T455-C514 WeakPolarHBondContact CA-O 3.24Å; T455-L515 HydrophobicContact CG2-CD2 4.09Å
456	P	94.9	Very high	92.6	Very high	26 Å²	26	41.9 Å²	41.9	17%	0.169	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-24.5	-177	-25.2	35.1	0	0	0	114.7	M458 H461 T501 C514 Y517	P456-M458 VanDerWaalsContact C-N 3.31Å; P456-H461 PolarHBondContact O-CD2 2.85Å; P456-T501 HydrophobicContact CB-CG2 4.47Å; P456-T501 HydrophobicContact CG-CG2 4.45Å; P456-T501 WeakPolarHBondContact CG-O 3.1Å; P456-C514 HydrophobicContact CG-CB 4.01Å; P456-Y517 VanDerWaalsContact CD-OH 3.32Å; P456-Y517 WeakPolarHBondContact CD-OH 3.29Å; P456-Y517 HydrophobicContact CG-CE1 4.49Å
457	E	92.3	Very high	92.7	Very high	141 Å²	141	40.2 Å²	40.2	66%	0.659	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-20.2	177.9	-55.8	74	-157.7	0	0	112.6	T455	T455-E457 VanDerWaalsContact CB-OE2 3.26Å; T455-E457 WeakPolarHBondContact CB-OE2 3.12Å; T455-E457 PolarHBondContact O-N 2.92Å; T455-E457 VanDerWaalsContact O-N 3.1Å; T455-E457 PolarHBondContact OG1-OE2 2.78Å
458	M	91.5	Very high	92.6	Very high	55 Å²	55	39.7 Å²	39.7	27%	0.271	21%	0.211	S	C	.	.	S	Bend	trans	-76.1	158.2	-177.8	-65	177.6	64.2	0	0	112.8	T455 P456 V460 H461 D475	T455-M458 HydrophobicContact CG2-SD 4.49Å; T455-M458 PolarHBondContact N-SD 3.36Å; T455-M458 VanDerWaalsContact O-CB 3.31Å; T455-M458 WeakPolarHBondContact O-CB 3.33Å; T455-M458 PolarHBondContact O-N 3.27Å; P456-M458 VanDerWaalsContact C-N 3.31Å; M458-V460 VanDerWaalsContact C-N 3.28Å; M458-V460 PolarHBondContact O-N 3.28Å; M458-H461 PolarHBondContact O-N 2.99Å; M458-D475 WeakPolarHBondContact CB-OD2 3.48Å; M458-D475 HydrophobicContact CE-CB 3.87Å; M458-D475 HydrophobicContact CG-CB 4.23Å
459	S	89.8	Confident	92.4	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.014	21%	0.205	C	C	.	.	H	α-helix	trans	-59.3	-30.5	-175.6	60.2	0	0	0	0	114.7	H461 R462 L463 D475	S459-H461 PolarHBondContact O-N 2.86Å; S459-R462 VanDerWaalsContact CA-NH2 3.27Å; S459-R462 PolarHBondContact O-N 3.49Å; S459-L463 WeakPolarHBondContact O-CB 3.35Å; S459-L463 PolarHBondContact O-N 3.44Å; S459-D475 VanDerWaalsContact CB-OD2 3.28Å; S459-D475 WeakPolarHBondContact CB-OD2 3.41Å; S459-D475 PolarHBondContact N-OD2 3.41Å; S459-D475 PolarHBondContact OG-OD2 3.45Å
460	V	90.4	Very high	92	Very high	44 Å²	44	41.3 Å²	41.3	27%	0.267	22%	0.217	S	C	.	.	H	α-helix	trans	-63	-43.6	-177.4	179.1	0	0	0	0	111.9	L452 S454 M458 R462 L463 L464	L452-V460 HydrophobicContact CB-CG1 4.4Å; L452-V460 HydrophobicContact CD1-CG1 3.83Å; S454-V460 WeakPolarHBondContact OG-CG2 3.45Å; M458-V460 VanDerWaalsContact C-N 3.28Å; M458-V460 PolarHBondContact O-N 3.28Å; V460-R462 PolarHBondContact O-N 3.25Å; V460-L463 WeakPolarHBondContact O-CB 3.28Å; V460-L463 PolarHBondContact O-N 3.29Å; V460-L464 HydrophobicContact CG1-CD1 4.29Å; V460-L464 PolarHBondContact O-N 3.09Å; V460-L464 VanDerWaalsContact O-N 3.12Å
461	H	92.8	Very high	91.4	Very high	32 Å²	32	46 Å²	46	15%	0.148	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-43.3	177.1	179.2	65.5	0	0	0	111.5	P456 M458 S459 L464 T465 Y517 Y519	P456-H461 PolarHBondContact O-CD2 2.85Å; M458-H461 PolarHBondContact O-N 2.99Å; S459-H461 PolarHBondContact O-N 2.86Å; H461-L464 PolarHBondContact O-N 2.86Å; H461-T465 WeakPolarHBondContact O-CG2 3.26Å; H461-T465 PolarHBondContact O-N 2.68Å; H461-T465 VanDerWaalsContact O-N 3.14Å; H461-T465 PolarHBondContact O-OG1 3.38Å; H461-Y517 AromaticContact ND1-CE1 3.81Å; H461-Y519 AromaticContact ND1-CE1 3.7Å; H461-Y519 AromaticContact ND1-CZ 3.71Å; H461-Y519 PolarHBondContact ND1-OH 2.97Å
462	R	91.6	Very high	90.8	Very high	58 Å²	58	49 Å²	49	22%	0.219	25%	0.252	C	S	.	.	H	α-helix	trans	-65.1	-39.5	176	-177.7	176	36.1	-93.1	-9.6	111.9	S459 V460 L464 T465 T466 V468 D473	S459-R462 VanDerWaalsContact CA-NH2 3.27Å; S459-R462 PolarHBondContact O-N 3.49Å; V460-R462 PolarHBondContact O-N 3.25Å; R462-L464 PolarHBondContact O-N 3.03Å; R462-T465 PolarHBondContact O-N 3.44Å; R462-T465 PolarHBondContact O-OG1 3.44Å; R462-T466 HydrophobicContact CG-CG2 4.13Å; R462-T466 WeakPolarHBondContact CG-OG1 3.3Å; R462-T466 WeakPolarHBondContact O-CA 3.31Å; R462-T466 WeakPolarHBondContact O-CB 3.27Å; R462-T466 PolarHBondContact O-N 3.12Å; R462-T466 PolarHBondContact O-OG1 3.32Å; R462-V468 WeakPolarHBondContact CG-O 3.49Å; R462-D473 IonicContact CZ-OD1 3.14Å; R462-D473 IonicContact CZ-OD2 2.79Å; R462-D473 IonicContact NE-OD1 2.7Å; R462-D473 IonicContact NE-OD2 2.87Å; R462-D473 PolarHBondContact NE-OD2 3.43Å; R462-D473 IonicContact NH2-OD1 3.26Å; R462-D473 PolarHBondContact NH2-OD1 3.49Å; R462-D473 IonicContact NH2-OD2 3.37Å; R462-D473 PolarHBondContact NH2-OD2 2.86Å
463	L	91.4	Very high	90.4	Very high	45 Å²	45	47.9 Å²	47.9	24%	0.236	25%	0.246	C	C	.	.	H	α-helix	trans	-57.8	-49.5	176.1	174.2	59.3	0	0	0	110.6	S459 V460 T465 G467 V469 I489 T491	S459-L463 WeakPolarHBondContact O-CB 3.35Å; S459-L463 PolarHBondContact O-N 3.44Å; V460-L463 WeakPolarHBondContact O-CB 3.28Å; V460-L463 PolarHBondContact O-N 3.29Å; L463-T465 PolarHBondContact O-N 3.25Å; L463-G467 WeakPolarHBondContact O-CA 3.38Å; L463-G467 PolarHBondContact O-N 2.78Å; L463-V469 HydrophobicContact CB-CG2 3.82Å; L463-V469 HydrophobicContact CD1-CG2 4.13Å; L463-V469 HydrophobicContact CD2-CG2 4.18Å; L463-V469 HydrophobicContact CG-CG2 4.25Å; L463-I489 HydrophobicContact CD1-CG2 4.13Å; L463-T491 HydrophobicContact CD1-CG2 3.73Å
464	L	92.2	Very high	89.8	Confident	28 Å²	28	46.1 Å²	46.1	15%	0.147	24%	0.242	C	C	.	.	H	α-helix	trans	-71.1	-31.3	-176.1	-68.3	170.7	0	0	0	113.5	F448 L452 V460 H461 R462 M495 Y519	F448-L464 HydrophobicContact CD1-CD1 4.27Å; F448-L464 HydrophobicContact CE1-CD1 3.82Å; F448-L464 HydrophobicContact CE1-CD2 4.45Å; L452-L464 HydrophobicContact CD1-CD1 3.67Å; V460-L464 HydrophobicContact CG1-CD1 4.29Å; V460-L464 PolarHBondContact O-N 3.09Å; V460-L464 VanDerWaalsContact O-N 3.12Å; H461-L464 PolarHBondContact O-N 2.86Å; R462-L464 PolarHBondContact O-N 3.03Å; L464-M495 PolarHBondContact O-N 3.03Å; L464-Y519 HydrophobicContact CB-CD1 4.16Å; L464-Y519 HydrophobicContact CB-CE1 3.95Å; L464-Y519 HydrophobicContact CB-CE2 4.43Å; L464-Y519 HydrophobicContact CB-CG 4.49Å; L464-Y519 HydrophobicContact CD1-CD2 3.82Å; L464-Y519 HydrophobicContact CD1-CE1 4.34Å; L464-Y519 HydrophobicContact CD1-CE2 3.37Å; L464-Y519 HydrophobicContact CD1-CG 4.44Å
465	T	93.3	Very high	89.2	Confident	39 Å²	39	47.3 Å²	47.3	24%	0.239	25%	0.248	C	C	.	.	H	α-helix	trans	-90.8	-35.5	-177.3	53.2	0	0	0	0	113.6	H461 R462 L463 C497 Y519	H461-T465 WeakPolarHBondContact O-CG2 3.26Å; H461-T465 PolarHBondContact O-N 2.68Å; H461-T465 VanDerWaalsContact O-N 3.14Å; H461-T465 PolarHBondContact O-OG1 3.38Å; R462-T465 PolarHBondContact O-N 3.44Å; R462-T465 PolarHBondContact O-OG1 3.44Å; L463-T465 PolarHBondContact O-N 3.25Å; T465-C497 HydrophobicContact CG2-CB 4.17Å; T465-Y519 HydrophobicContact CG2-CD1 4.26Å; T465-Y519 HydrophobicContact CG2-CE1 3.84Å
466	T	92.3	Very high	88.2	Confident	58 Å²	58	48.4 Å²	48.4	36%	0.356	25%	0.249	S	C	.	.	H	α-helix	trans	-111.4	-19.6	-174	74.5	0	0	0	0	113.5	R462 V468 K494	R462-T466 HydrophobicContact CG-CG2 4.13Å; R462-T466 WeakPolarHBondContact CG-OG1 3.3Å; R462-T466 WeakPolarHBondContact O-CA 3.31Å; R462-T466 WeakPolarHBondContact O-CB 3.27Å; R462-T466 PolarHBondContact O-N 3.12Å; R462-T466 PolarHBondContact O-OG1 3.32Å; T466-V468 PolarHBondContact OG1-N 3.34Å; T466-K494 WeakPolarHBondContact O-CE 3.08Å; T466-K494 PolarHBondContact O-NZ 3.15Å
467	G	89.5	Confident	87	Confident	0 Å²	0	53 Å²	53	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	80.6	16.4	-173.4	0	0	0	0	0	113.7	L463 K490 T491	L463-G467 WeakPolarHBondContact O-CA 3.38Å; L463-G467 PolarHBondContact O-N 2.78Å; G467-K490 CarbonylContact O-C 3.55Å; G467-K490 VanDerWaalsContact O-CA 3.28Å; G467-K490 WeakPolarHBondContact O-CA 3.3Å; G467-T491 WeakPolarHBondContact CA-O 3.41Å; G467-T491 PolarHBondContact O-N 3.17Å
468	V	89.7	Confident	85.6	Confident	29 Å²	29	54.9 Å²	54.9	18%	0.176	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.4	-172.1	-175	0	0	0	0	112.4	R462 T466 I489 K490	R462-V468 WeakPolarHBondContact CG-O 3.49Å; T466-V468 PolarHBondContact OG1-N 3.34Å; V468-I489 VanDerWaalsContact CA-O 3.3Å; V468-I489 WeakPolarHBondContact CA-O 3.47Å; V468-K490 HydrophobicContact CG2-CG 4.41Å
469	V	87.9	Confident	84.2	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.012	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	125.9	159.1	176.3	0	0	0	0	107.4	L463 W476 E488 I489	L463-V469 HydrophobicContact CB-CG2 3.82Å; L463-V469 HydrophobicContact CD1-CG2 4.13Å; L463-V469 HydrophobicContact CD2-CG2 4.18Å; L463-V469 HydrophobicContact CG-CG2 4.25Å; V469-W476 HydrophobicContact CG1-CD2 3.98Å; V469-W476 HydrophobicContact CG1-CE3 4.41Å; V469-W476 HydrophobicContact CG1-CG 4.14Å; V469-E488 WeakPolarHBondContact O-CA 3.47Å; V469-E488 WeakPolarHBondContact O-CG 3.19Å; V469-I489 HydrophobicContact CB-CB 3.98Å; V469-I489 HydrophobicContact CB-CD1 4.45Å; V469-I489 HydrophobicContact CB-CG1 4.35Å; V469-I489 HydrophobicContact CG2-CB 4.2Å; V469-I489 HydrophobicContact CG2-CD1 4.31Å; V469-I489 PolarHBondContact N-O 3.17Å; V469-I489 PolarHBondContact O-N 3.29Å; V469-I489 VanDerWaalsContact O-N 3.11Å
470	H	87.3	Confident	82.8	Confident	88 Å²	88	62 Å²	62	41%	0.407	31%	0.311	S	S	.	.			trans	-87.5	141.4	177.4	-71	-66.5	0	0	0	110.3	D472 D473	H470-D472 PolarHBondContact O-N 2.63Å; H470-D473 PolarHBondContact N-OD2 3.38Å; H470-D473 VanDerWaalsContact O-CB 3.26Å; H470-D473 WeakPolarHBondContact O-CB 3.31Å; H470-D473 PolarHBondContact O-N 2.95Å
471	K	81.9	Confident	81.4	Confident	104 Å²	104	63 Å²	63	45%	0.452	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-20.5	173.7	66.3	177.5	-175.3	178.8	0	115.2	G486	K471-G486 WeakPolarHBondContact CB-O 3.25Å
472	D	83	Confident	79.9	Confident	88 Å²	88	65.6 Å²	65.6	47%	0.471	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-1.5	-178.5	-74.8	-59	0	0	0	113.3	H470 S474 R477	H470-D472 PolarHBondContact O-N 2.63Å; D472-S474 PolarHBondContact O-N 3.48Å; D472-R477 VanDerWaalsContact O-CZ 3.31Å; D472-R477 PolarHBondContact O-NE 3.14Å; D472-R477 PolarHBondContact O-NH2 2.78Å; D472-R477 IonicContact OD1-CZ 2.7Å; D472-R477 IonicContact OD1-NH1 3.42Å; D472-R477 PolarHBondContact OD1-NH1 2.9Å; D472-R477 IonicContact OD1-NH2 2.73Å
473	D	85.3	Confident	78.6	Confident	17 Å²	17	64.1 Å²	64.1	9%	0.091	34%	0.335	C	S	.	.			trans	-59.2	130.7	-179.9	-69.2	-23	0	0	0	110.8	R462 H470 D475 W476 R477	R462-D473 IonicContact CZ-OD1 3.14Å; R462-D473 IonicContact CZ-OD2 2.79Å; R462-D473 IonicContact NE-OD1 2.7Å; R462-D473 IonicContact NE-OD2 2.87Å; R462-D473 PolarHBondContact NE-OD2 3.43Å; R462-D473 IonicContact NH2-OD1 3.26Å; R462-D473 PolarHBondContact NH2-OD1 3.49Å; R462-D473 IonicContact NH2-OD2 3.37Å; R462-D473 PolarHBondContact NH2-OD2 2.86Å; H470-D473 PolarHBondContact N-OD2 3.38Å; H470-D473 VanDerWaalsContact O-CB 3.26Å; H470-D473 WeakPolarHBondContact O-CB 3.31Å; H470-D473 PolarHBondContact O-N 2.95Å; D473-D475 VanDerWaalsContact C-N 3.35Å; D473-D475 PolarHBondContact O-N 2.83Å; D473-W476 HydrophobicContact CB-CB 3.95Å; D473-W476 WeakPolarHBondContact O-CB 3.3Å; D473-W476 PolarHBondContact O-N 3.31Å; D473-W476 VanDerWaalsContact O-N 3.11Å; D473-R477 PolarHBondContact O-N 2.78Å
474	S	81.2	Confident	77.5	Confident	74 Å²	74	63.5 Å²	63.5	52%	0.517	33%	0.33	S	S	.	.	H	α-helix	trans	-67.2	-35.8	-169.6	51.9	0	0	0	0	113.4	D472 W476 R477 K478	D472-S474 PolarHBondContact O-N 3.48Å; S474-W476 VanDerWaalsContact C-N 3.26Å; S474-R477 PolarHBondContact O-N 2.64Å; S474-K478 VanDerWaalsContact O-CB 3.28Å; S474-K478 WeakPolarHBondContact O-CB 3.37Å; S474-K478 PolarHBondContact O-N 2.77Å
475	D	80.1	Confident	76.3	Confident	35 Å²	35	66.8 Å²	66.8	19%	0.187	35%	0.348	C	S	.	.	H	α-helix	trans	-71.6	-22.6	174.7	54.1	-46.8	0	0	0	112.3	M458 S459 D473 G479	M458-D475 WeakPolarHBondContact CB-OD2 3.48Å; M458-D475 HydrophobicContact CE-CB 3.87Å; M458-D475 HydrophobicContact CG-CB 4.23Å; S459-D475 VanDerWaalsContact CB-OD2 3.28Å; S459-D475 WeakPolarHBondContact CB-OD2 3.41Å; S459-D475 PolarHBondContact N-OD2 3.41Å; S459-D475 PolarHBondContact OG-OD2 3.45Å; D473-D475 VanDerWaalsContact C-N 3.35Å; D473-D475 PolarHBondContact O-N 2.83Å; D475-G479 PolarHBondContact O-N 2.79Å
476	W	74.1	Confident	75.2	Confident	51 Å²	51	67.3 Å²	67.3	19%	0.193	36%	0.361	C	S	.	.	H	α-helix	trans	-80.3	-31.5	172.6	-143.8	-121.2	0	0	0	112.8	V469 D473 S474 F484 L487 I489	V469-W476 HydrophobicContact CG1-CD2 3.98Å; V469-W476 HydrophobicContact CG1-CE3 4.41Å; V469-W476 HydrophobicContact CG1-CG 4.14Å; D473-W476 HydrophobicContact CB-CB 3.95Å; D473-W476 WeakPolarHBondContact O-CB 3.3Å; D473-W476 PolarHBondContact O-N 3.31Å; D473-W476 VanDerWaalsContact O-N 3.11Å; S474-W476 VanDerWaalsContact C-N 3.26Å; W476-F484 HydrophobicContact CD2-CB 4.17Å; W476-F484 HydrophobicContact CG-CB 4.45Å; W476-F484 AromaticContact CH2-CD1 3.92Å; W476-F484 HydrophobicContact CH2-CD1 3.92Å; W476-F484 HydrophobicContact CH2-CE1 4.24Å; W476-F484 HydrophobicContact CH2-CG 4.36Å; W476-F484 HydrophobicContact CZ2-CB 4.04Å; W476-F484 AromaticContact CZ2-CD1 3.49Å; W476-F484 HydrophobicContact CZ2-CD1 3.49Å; W476-F484 VanDerWaalsContact CZ2-CD1 3.49Å; W476-F484 HydrophobicContact CZ2-CE1 4.17Å; W476-F484 HydrophobicContact CZ2-CG 4Å; W476-F484 PolarHBondContact NE1-O 3.49Å; W476-F484 VanDerWaalsContact NE1-O 3.13Å; W476-L487 HydrophobicContact CZ2-CD2 4.14Å; W476-L487 PolarHBondContact NE1-O 3.33Å; W476-I489 HydrophobicContact CH2-CD1 4.17Å; W476-I489 HydrophobicContact CZ2-CD1 3.82Å
477	R	69.4	Low	74.4	Confident	123 Å²	123	66.2 Å²	66.2	46%	0.464	35%	0.353	S	S	.	.	H	α-helix	trans	-90.1	-29.3	178.5	-69.5	-165.1	-72.2	-148.8	-8.8	116.1	D472 D473 S474 D485	D472-R477 VanDerWaalsContact O-CZ 3.31Å; D472-R477 PolarHBondContact O-NE 3.14Å; D472-R477 PolarHBondContact O-NH2 2.78Å; D472-R477 IonicContact OD1-CZ 2.7Å; D472-R477 IonicContact OD1-NH1 3.42Å; D472-R477 PolarHBondContact OD1-NH1 2.9Å; D472-R477 IonicContact OD1-NH2 2.73Å; D473-R477 PolarHBondContact O-N 2.78Å; S474-R477 PolarHBondContact O-N 2.64Å; R477-D485 WeakPolarHBondContact CA-OD1 3.48Å
478	K	63.8	Low	74.1	Confident	181 Å²	181	70.2 Å²	70.2	79%	0.787	37%	0.372	S	S	*	.	S	Bend	trans	-110.5	9.2	-175.6	-61.1	-178.5	176.9	178.8	0	112.8	S474	S474-K478 VanDerWaalsContact O-CB 3.28Å; S474-K478 WeakPolarHBondContact O-CB 3.37Å; S474-K478 PolarHBondContact O-N 2.77Å
479	G	61.6	Low	73.8	Confident	38 Å²	38	69.5 Å²	69.5	39%	0.392	37%	0.367	S	S	.	.	S	Bend	trans	-62.4	162.5	-178.8	0	0	0	0	0	112.2	D475 F481	D475-G479 PolarHBondContact O-N 2.79Å; G479-F481 PolarHBondContact O-N 2.85Å
480	E	60.7	Low	73.6	Confident	167 Å²	167	75.9 Å²	75.9	78%	0.78	39%	0.394	S	S	*	.	S	Bend	trans	-61.2	-7.2	173	-63.2	-176.2	161.1	0	0	113.4
481	F	60.7	Low	73.3	Confident	66 Å²	66	73.4 Å²	73.4	29%	0.289	39%	0.385	S	S	.	.	S	Bend	trans	-120.7	96.2	-167.4	-51.2	-49.9	0	0	0	110.9	L429 G479 F484	L429-F481 HydrophobicContact CD1-CD1 3.76Å; L429-F481 HydrophobicContact CD1-CE1 3.68Å; L429-F481 HydrophobicContact CD2-CB 3.46Å; L429-F481 VanDerWaalsContact CD2-CB 3.46Å; L429-F481 HydrophobicContact CD2-CD1 3.03Å; L429-F481 HydrophobicContact CD2-CD2 3.89Å; L429-F481 HydrophobicContact CD2-CE1 3.69Å; L429-F481 HydrophobicContact CD2-CE2 4.43Å; L429-F481 HydrophobicContact CD2-CG 3.15Å; L429-F481 HydrophobicContact CD2-CZ 4.35Å; L429-F481 HydrophobicContact CG-CD1 3.98Å; L429-F481 HydrophobicContact CG-CE1 4.23Å; L429-F481 HydrophobicContact CG-CG 4.42Å; G479-F481 PolarHBondContact O-N 2.85Å; F481-F484 HydrophobicContact CB-CD2 4.03Å; F481-F484 HydrophobicContact CB-CE2 3.93Å
482	P	61.4	Low	73.2	Confident	87 Å²	87	74 Å²	74	57%	0.565	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	143.2	176.2	25.8	-32.4	0	0	0	110.5	V426	V426-P482 WeakPolarHBondContact CG2-O 3.29Å
483	G	64.7	Low	72.9	Confident	26 Å²	26	74.7 Å²	74.7	27%	0.268	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	113.8	-12.7	173	0	0	0	0	0	117.1	N423 D485	N423-G483 WeakPolarHBondContact ND2-CA 3.33Å; G483-D485 VanDerWaalsContact C-N 3.3Å
484	F	67	Low	72.9	Confident	32 Å²	32	79 Å²	79	14%	0.14	42%	0.424	C	S	.	.			trans	-83.7	-8.1	171.3	-68.2	-77.8	0	0	0	113.2	V426 W476 F481 G486 L487	V426-F484 HydrophobicContact CB-CE2 4.35Å; V426-F484 HydrophobicContact CB-CZ 4.31Å; V426-F484 HydrophobicContact CG1-CD1 4.13Å; V426-F484 HydrophobicContact CG1-CD2 4.34Å; V426-F484 HydrophobicContact CG1-CE1 3.44Å; V426-F484 VanDerWaalsContact CG1-CE1 3.44Å; V426-F484 HydrophobicContact CG1-CE2 3.69Å; V426-F484 HydrophobicContact CG1-CZ 3.21Å; V426-F484 HydrophobicContact CG2-CD2 4.03Å; V426-F484 HydrophobicContact CG2-CE2 3.93Å; V426-F484 HydrophobicContact CG2-CZ 4.32Å; W476-F484 HydrophobicContact CD2-CB 4.17Å; W476-F484 HydrophobicContact CG-CB 4.45Å; W476-F484 AromaticContact CH2-CD1 3.92Å; W476-F484 HydrophobicContact CH2-CD1 3.92Å; W476-F484 HydrophobicContact CH2-CE1 4.24Å; W476-F484 HydrophobicContact CH2-CG 4.36Å; W476-F484 HydrophobicContact CZ2-CB 4.04Å; W476-F484 AromaticContact CZ2-CD1 3.49Å; W476-F484 HydrophobicContact CZ2-CD1 3.49Å; W476-F484 VanDerWaalsContact CZ2-CD1 3.49Å; W476-F484 HydrophobicContact CZ2-CE1 4.17Å; W476-F484 HydrophobicContact CZ2-CG 4Å; W476-F484 PolarHBondContact NE1-O 3.49Å; W476-F484 VanDerWaalsContact NE1-O 3.13Å; F481-F484 HydrophobicContact CB-CD2 4.03Å; F481-F484 HydrophobicContact CB-CE2 3.93Å; F484-G486 PolarHBondContact O-N 2.74Å; F484-L487 HydrophobicContact CD1-CD2 4.14Å; F484-L487 VanDerWaalsContact O-CB 3.29Å; F484-L487 WeakPolarHBondContact O-CB 3.48Å; F484-L487 PolarHBondContact O-N 3.04Å; F484-L487 VanDerWaalsContact O-N 3.1Å
485	D	68	Low	73.5	Confident	97 Å²	97	76.2 Å²	76.2	52%	0.519	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	123.3	177.5	-76.6	-52.6	0	0	0	112.2	R477 G483 L487	R477-D485 WeakPolarHBondContact CA-OD1 3.48Å; G483-D485 VanDerWaalsContact C-N 3.3Å; D485-L487 VanDerWaalsContact C-N 3.33Å
486	G	69	Low	74.1	Confident	50 Å²	50	77.3 Å²	77.3	52%	0.515	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.1	-8.9	177.1	0	0	0	0	0	115.1	K471 F484	K471-G486 WeakPolarHBondContact CB-O 3.25Å; F484-G486 PolarHBondContact O-N 2.74Å
487	L	75.4	Confident	75.2	Confident	35 Å²	35	76.8 Å²	76.8	18%	0.183	41%	0.412	C	S	.	.			trans	-77.5	127.3	-178.3	-174.7	71.3	0	0	0	111.3	C419 W476 F484 D485 I489	C419-L487 HydrophobicContact CB-CD1 4.1Å; C419-L487 HydrophobicContact CB-CD2 3.62Å; C419-L487 HydrophobicContact CB-CG 4.44Å; W476-L487 HydrophobicContact CZ2-CD2 4.14Å; W476-L487 PolarHBondContact NE1-O 3.33Å; F484-L487 HydrophobicContact CD1-CD2 4.14Å; F484-L487 VanDerWaalsContact O-CB 3.29Å; F484-L487 WeakPolarHBondContact O-CB 3.48Å; F484-L487 PolarHBondContact O-N 3.04Å; F484-L487 VanDerWaalsContact O-N 3.1Å; D485-L487 VanDerWaalsContact C-N 3.33Å; L487-I489 HydrophobicContact CD2-CD1 4.49Å; L487-I489 HydrophobicContact CD2-CG1 4.34Å; L487-I489 HydrophobicContact CG-CG1 4.42Å
488	E	83.4	Confident	76.5	Confident	85 Å²	85	71.8 Å²	71.8	40%	0.397	39%	0.394	S	S	.	.			trans	-107.9	123.4	173.5	-177.8	172.6	104.1	0	0	109	V469 K490	V469-E488 WeakPolarHBondContact O-CA 3.47Å; V469-E488 WeakPolarHBondContact O-CG 3.19Å; E488-K490 WeakPolarHBondContact OE1-CE 2.95Å; E488-K490 IonicContact OE1-NZ 3.73Å; E488-K490 PolarHBondContact OE1-NZ 3.35Å
489	I	83	Confident	78	Confident	14 Å²	14	63.6 Å²	63.6	7%	0.072	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	134.1	177.7	-58.3	174.2	0	0	0	108.4	Y415 L463 V468 V469 W476 L487	Y415-I489 HydrophobicContact CD2-CG2 4.12Å; Y415-I489 HydrophobicContact CE2-CG2 3.95Å; L463-I489 HydrophobicContact CD1-CG2 4.13Å; V468-I489 VanDerWaalsContact CA-O 3.3Å; V468-I489 WeakPolarHBondContact CA-O 3.47Å; V469-I489 HydrophobicContact CB-CB 3.98Å; V469-I489 HydrophobicContact CB-CD1 4.45Å; V469-I489 HydrophobicContact CB-CG1 4.35Å; V469-I489 HydrophobicContact CG2-CB 4.2Å; V469-I489 HydrophobicContact CG2-CD1 4.31Å; V469-I489 PolarHBondContact N-O 3.17Å; V469-I489 PolarHBondContact O-N 3.29Å; V469-I489 VanDerWaalsContact O-N 3.11Å; W476-I489 HydrophobicContact CH2-CD1 4.17Å; W476-I489 HydrophobicContact CZ2-CD1 3.82Å; L487-I489 HydrophobicContact CD2-CD1 4.49Å; L487-I489 HydrophobicContact CD2-CG1 4.34Å; L487-I489 HydrophobicContact CG-CG1 4.42Å
490	K	83.7	Confident	79.6	Confident	135 Å²	135	65.6 Å²	65.6	59%	0.587	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.9	127	171.6	-71.3	178.5	-179.3	152.6	0	110.2	G467 V468 E488	G467-K490 CarbonylContact O-C 3.55Å; G467-K490 VanDerWaalsContact O-CA 3.28Å; G467-K490 WeakPolarHBondContact O-CA 3.3Å; V468-K490 HydrophobicContact CG2-CG 4.41Å; E488-K490 WeakPolarHBondContact OE1-CE 2.95Å; E488-K490 IonicContact OE1-NZ 3.73Å; E488-K490 PolarHBondContact OE1-NZ 3.35Å
491	T	81.6	Confident	81.2	Confident	36 Å²	36	60 Å²	60	22%	0.221	34%	0.339	C	S	.	.			trans	-130.4	149.4	174.1	180	0	0	0	0	110.6	L463 G467 L493	L463-T491 HydrophobicContact CD1-CG2 3.73Å; G467-T491 WeakPolarHBondContact CA-O 3.41Å; G467-T491 PolarHBondContact O-N 3.17Å; T491-L493 VanDerWaalsContact C-N 3.25Å; T491-L493 HydrophobicContact CG2-CB 4.31Å; T491-L493 PolarHBondContact OG1-N 2.87Å
492	S	79.7	Confident	82.8	Confident	117 Å²	117	61.4 Å²	61.4	82%	0.818	36%	0.357	S	S	*	.	S	Bend	trans	-76.5	-14.9	171.8	52.6	0	0	0	0	112.7	K494	S492-K494 PolarHBondContact O-N 2.88Å
493	L	77.8	Confident	84.4	Confident	102 Å²	102	58 Å²	58	53%	0.534	33%	0.334	S	S	.	.			trans	-69.7	117.4	178.3	-173.9	66.7	0	0	0	109.7	T491	T491-L493 VanDerWaalsContact C-N 3.25Å; T491-L493 HydrophobicContact CG2-CB 4.31Å; T491-L493 PolarHBondContact OG1-N 2.87Å
494	K	85.1	Confident	85.8	Confident	108 Å²	108	59.2 Å²	59.2	47%	0.47	33%	0.334	S	S	.	.			trans	-137.1	121.7	178.2	-59.9	-179	-167.7	-164.6	0	109	T466 S492	T466-K494 WeakPolarHBondContact O-CE 3.08Å; T466-K494 PolarHBondContact O-NZ 3.15Å; S492-K494 PolarHBondContact O-N 2.88Å
495	M	92.5	Very high	87.2	Confident	15 Å²	15	57.7 Å²	57.7	7%	0.074	33%	0.327	C	S	.	.			trans	-111.5	156.4	179	-57.6	-174	79.9	0	0	110	V446 F448 L464 A520	V446-M495 HydrophobicContact CB-CE 4.1Å; V446-M495 HydrophobicContact CG1-CE 3.75Å; F448-M495 HydrophobicContact CB-CE 3.81Å; F448-M495 HydrophobicContact CB-SD 4.09Å; L464-M495 PolarHBondContact O-N 3.03Å; M495-A520 WeakPolarHBondContact CA-O 3.35Å; M495-A520 WeakPolarHBondContact CB-O 3.47Å
496	I	94.4	Very high	88.6	Confident	58 Å²	58	53.4 Å²	53.4	30%	0.297	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	140	166.9	57.3	170.9	0	0	0	108.8	L498 Y519 A520 S521 R522 F524	I496-L498 HydrophobicContact CD1-CD2 3.49Å; I496-L498 VanDerWaalsContact CD1-CD2 3.49Å; I496-L498 HydrophobicContact CG1-CD2 3.83Å; I496-Y519 CarbonylContact O-C 3.48Å; I496-Y519 VanDerWaalsContact O-CA 3.22Å; I496-Y519 WeakPolarHBondContact O-CA 3.47Å; I496-A520 HydrophobicContact CG1-CB 4.09Å; I496-A520 VanDerWaalsContact CG1-O 3.29Å; I496-A520 WeakPolarHBondContact CG1-O 3.22Å; I496-A520 PolarHBondContact N-O 3.45Å; I496-A520 PolarHBondContact O-N 2.76Å; I496-S521 WeakPolarHBondContact CD1-O 3.32Å; I496-R522 HydrophobicContact CG2-CG 4.35Å; I496-F524 VanDerWaalsContact CD1-O 3.24Å; I496-F524 WeakPolarHBondContact CD1-O 3.43Å
497	C	96.2	Very high	89.9	Confident	41 Å²	41	51 Å²	51	28%	0.277	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	117.6	170.5	-171.8	0	0	0	0	108.3	T465 S499 Y519	T465-C497 HydrophobicContact CG2-CB 4.17Å; C497-S499 PolarHBondContact SG-O 3.24Å; C497-S499 PolarHBondContact SG-OG 3.09Å; C497-S499 VanDerWaalsContact SG-OG 3.42Å; C497-Y519 HydrophobicContact CB-CD1 3.98Å; C497-Y519 HydrophobicContact CB-CE1 3.94Å
498	L	96.6	Very high	90.9	Very high	18 Å²	18	50 Å²	50	9%	0.094	28%	0.275	C	S	.	.			trans	-88.2	-29.1	178.1	-58.5	-169.8	0	0	0	112.2	L447 I496 V518 A520 F524 V526 M558 I560	L447-L498 HydrophobicContact CD2-CD1 4.28Å; I496-L498 HydrophobicContact CD1-CD2 3.49Å; I496-L498 VanDerWaalsContact CD1-CD2 3.49Å; I496-L498 HydrophobicContact CG1-CD2 3.83Å; L498-V518 HydrophobicContact CB-CB 4.34Å; L498-V518 HydrophobicContact CB-CG1 4.01Å; L498-V518 HydrophobicContact CD1-CG1 4.07Å; L498-V518 HydrophobicContact CG-CG1 4.33Å; L498-V518 PolarHBondContact N-O 3.45Å; L498-A520 HydrophobicContact CD1-CB 3.53Å; L498-A520 HydrophobicContact CD2-CB 4.13Å; L498-A520 HydrophobicContact CG-CB 3.71Å; L498-F524 HydrophobicContact CD1-CB 4Å; L498-F524 HydrophobicContact CD2-CB 4.47Å; L498-V526 HydrophobicContact CB-CG2 3.75Å; L498-V526 HydrophobicContact CD1-CG2 4.46Å; L498-V526 HydrophobicContact CD2-CG2 4Å; L498-V526 HydrophobicContact CG-CG2 4.28Å; L498-M558 HydrophobicContact CB-SD 3.87Å; L498-I560 HydrophobicContact CD1-CG2 3.95Å
499	S	96	Very high	91.4	Very high	9 Å²	9	49.2 Å²	49.2	6%	0.063	27%	0.271	C	S	.	.	S	Bend	trans	-75.2	145.5	178.4	50.8	0	0	0	0	112.3	C497 T501 Y517 V518	C497-S499 PolarHBondContact SG-O 3.24Å; C497-S499 PolarHBondContact SG-OG 3.09Å; C497-S499 VanDerWaalsContact SG-OG 3.42Å; S499-T501 PolarHBondContact O-N 3.05Å; S499-Y517 WeakPolarHBondContact OG-CA 3.36Å; S499-V518 PolarHBondContact N-O 2.55Å; S499-V518 PolarHBondContact OG-N 3.38Å
500	D	94.5	Very high	91.8	Very high	79 Å²	79	55.1 Å²	55.1	42%	0.422	30%	0.303	S	S	.	.			trans	-71.7	110.4	170.7	-180	-0.4	0	0	0	110.1	S502 M503	D500-S502 VanDerWaalsContact CG-OG 3.24Å; D500-S502 PolarHBondContact O-N 3.48Å; D500-S502 WeakPolarHBondContact OD1-CB 3.49Å; D500-S502 PolarHBondContact OD1-N 3.44Å; D500-S502 PolarHBondContact OD1-OG 3.38Å; D500-S502 PolarHBondContact OD2-OG 3.08Å; D500-M503 HydrophobicContact CB-CB 4.4Å; D500-M503 WeakPolarHBondContact O-CB 3.22Å; D500-M503 PolarHBondContact O-N 3.37Å
501	T	94.7	Very high	92.4	Very high	51 Å²	51	52.4 Å²	52.4	31%	0.313	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-10.3	-178.6	57.7	0	0	0	0	113.7	P456 S499 C514 Y517	P456-T501 HydrophobicContact CB-CG2 4.47Å; P456-T501 HydrophobicContact CG-CG2 4.45Å; P456-T501 WeakPolarHBondContact CG-O 3.1Å; S499-T501 PolarHBondContact O-N 3.05Å; T501-C514 WeakPolarHBondContact O-CB 3.46Å; T501-Y517 HydrophobicContact CG2-CD1 4.46Å; T501-Y517 HydrophobicContact CG2-CE1 4.11Å
502	S	94.2	Very high	93.1	Very high	94 Å²	94	56.8 Å²	56.8	66%	0.657	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-12.4	173.6	75	0	0	0	0	113.5	D500	D500-S502 VanDerWaalsContact CG-OG 3.24Å; D500-S502 PolarHBondContact O-N 3.48Å; D500-S502 WeakPolarHBondContact OD1-CB 3.49Å; D500-S502 PolarHBondContact OD1-N 3.44Å; D500-S502 PolarHBondContact OD1-OG 3.38Å; D500-S502 PolarHBondContact OD2-OG 3.08Å
503	M	94.1	Very high	93.8	Very high	17 Å²	17	51.7 Å²	51.7	8%	0.084	27%	0.273	C	S	.	.	S	Bend	trans	-74.4	130.6	179.3	-179.6	178.3	159.3	0	0	110.9	D500 T505 C514 A532 I554 L556	D500-M503 HydrophobicContact CB-CB 4.4Å; D500-M503 WeakPolarHBondContact O-CB 3.22Å; D500-M503 PolarHBondContact O-N 3.37Å; M503-T505 HydrophobicContact CG-CG2 4.49Å; M503-T505 PolarHBondContact O-N 3.04Å; M503-C514 VanDerWaalsContact O-CB 3.26Å; M503-C514 WeakPolarHBondContact O-CB 3.29Å; M503-A532 HydrophobicContact CE-CB 3.69Å; M503-A532 HydrophobicContact CG-CB 3.91Å; M503-A532 HydrophobicContact SD-CB 4.26Å; M503-I554 HydrophobicContact CE-CG2 4Å; M503-L556 HydrophobicContact CE-CD2 4.19Å; M503-L556 HydrophobicContact SD-CD2 3.98Å
504	L	94.4	Very high	94.8	Very high	51 Å²	51	47.2 Å²	47.2	27%	0.267	25%	0.25	S	S	.	.			trans	-68.6	126.8	168.8	-59.9	179.8	0	0	0	109.5	I507 F512 F539	L504-I507 HydrophobicContact CB-CD1 4.3Å; L504-I507 HydrophobicContact CB-CG1 4.38Å; L504-I507 HydrophobicContact CD1-CD1 4.25Å; L504-F512 HydrophobicContact CD1-CD2 4.28Å; L504-F512 HydrophobicContact CD2-CD2 3.97Å; L504-F539 HydrophobicContact CD1-CE2 4.13Å; L504-F539 HydrophobicContact CD1-CZ 3.93Å
505	T	96.9	Very high	95.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.231	C	C	.	.			trans	-120.7	-16.5	178.7	71.8	0	0	0	0	112.9	M503 G513 L515 D516 H553 I554 L556	M503-T505 HydrophobicContact CG-CG2 4.49Å; M503-T505 PolarHBondContact O-N 3.04Å; T505-G513 PolarHBondContact N-O 2.97Å; T505-L515 PolarHBondContact OG1-N 3.1Å; T505-D516 WeakPolarHBondContact CB-OD2 3.02Å; T505-D516 HydrophobicContact CG2-CB 4.07Å; T505-D516 PolarHBondContact OG1-N 3.22Å; T505-D516 PolarHBondContact OG1-OD2 2.69Å; T505-H553 CarbonylContact O-C 3.39Å; T505-H553 WeakPolarHBondContact O-CA 3.35Å; T505-H553 WeakPolarHBondContact O-CB 3.38Å; T505-I554 PolarHBondContact O-N 3.16Å; T505-L556 HydrophobicContact CG2-CD2 3.69Å; T505-L556 HydrophobicContact CG2-CG 4.27Å
506	N	97.7	Very high	95.6	Very high	7 Å²	7	41.9 Å²	41.9	4%	0.037	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	136.5	170.1	-180	-77	0	0	0	109.8	F511 F512 G513 L515 D552 H553	N506-F511 HydrophobicContact CB-CE1 4.35Å; N506-F511 WeakPolarHBondContact OD1-CD1 3.4Å; N506-F512 VanDerWaalsContact O-CA 3.29Å; N506-F512 WeakPolarHBondContact O-CA 3.4Å; N506-G513 PolarHBondContact N-O 2.94Å; N506-G513 PolarHBondContact O-N 2.79Å; N506-L515 HydrophobicContact CB-CB 4.48Å; N506-L515 HydrophobicContact CB-CD1 3.7Å; N506-L515 HydrophobicContact CB-CG 4.09Å; N506-D552 WeakPolarHBondContact CA-O 3.42Å; N506-D552 PolarHBondContact ND2-OD2 3.18Å; N506-H553 PolarHBondContact ND2-CD2 3.42Å; N506-H553 VanDerWaalsContact ND2-CD2 3.27Å; N506-H553 PolarHBondContact ND2-CE1 2.97Å; N506-H553 PolarHBondContact ND2-NE2 2.93Å
507	I	96.5	Very high	95.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	115.9	179.1	-54.1	178.5	0	0	0	109.9	L504 F512 L538 F539 L544 D552 I554	L504-I507 HydrophobicContact CB-CD1 4.3Å; L504-I507 HydrophobicContact CB-CG1 4.38Å; L504-I507 HydrophobicContact CD1-CD1 4.25Å; I507-F512 HydrophobicContact CG1-CB 4.26Å; I507-F512 HydrophobicContact CG2-CB 4.29Å; I507-L538 HydrophobicContact CD1-CB 3.71Å; I507-L538 HydrophobicContact CD1-CD1 3.77Å; I507-L538 HydrophobicContact CD1-CD2 4.36Å; I507-L538 HydrophobicContact CD1-CG 4.15Å; I507-F539 HydrophobicContact CD1-CE2 4.35Å; I507-F539 HydrophobicContact CD1-CZ 4.2Å; I507-F539 HydrophobicContact CG2-CD1 4.09Å; I507-F539 HydrophobicContact CG2-CE1 3.68Å; I507-F539 HydrophobicContact CG2-CZ 4.13Å; I507-L544 WeakPolarHBondContact O-CA 3.24Å; I507-L544 PolarHBondContact O-N 2.97Å; I507-D552 PolarHBondContact N-O 2.97Å; I507-I554 HydrophobicContact CD1-CD1 3.8Å; I507-I554 HydrophobicContact CG1-CD1 4.33Å
508	T	95.6	Very high	95.8	Very high	14 Å²	14	37.2 Å²	37.2	9%	0.086	20%	0.2	C	C	.	.			trans	-129.7	171.7	173	67.3	0	0	0	0	110.1	F316 Y318 N510 F511 D552	F316-T508 HydrophobicContact CE1-CG2 4.19Å; Y318-T508 VanDerWaalsContact OH-CA 3.31Å; Y318-T508 WeakPolarHBondContact OH-CA 3.31Å; Y318-T508 VanDerWaalsContact OH-CB 3.31Å; Y318-T508 WeakPolarHBondContact OH-CB 3.39Å; T508-N510 PolarHBondContact O-N 2.9Å; T508-N510 VanDerWaalsContact O-N 3.16Å; T508-F511 PolarHBondContact N-O 3.45Å; T508-F511 PolarHBondContact O-N 2.77Å; T508-F511 VanDerWaalsContact O-O 3.06Å; T508-F511 PolarHBondContact OG1-N 3.14Å; T508-F511 VanDerWaalsContact OG1-N 3.15Å; T508-F511 PolarHBondContact OG1-O 3.28Å; T508-F511 VanDerWaalsContact OG1-O 3.08Å; T508-D552 HydrophobicContact CG2-CB 3.97Å
509	E	93.6	Very high	95.8	Very high	67 Å²	67	36.4 Å²	36.4	31%	0.313	20%	0.196	S	C	.	.	S	Bend	trans	-58.1	-29.3	178.8	-177.8	175.3	-119.4	0	0	113.2	Y318 R542	Y318-E509 HydrophobicContact CD1-CB 3.36Å; Y318-E509 HydrophobicContact CD1-CG 4.3Å; Y318-E509 HydrophobicContact CE1-CB 3.61Å; Y318-E509 HydrophobicContact CG-CB 3.97Å; E509-R542 WeakPolarHBondContact CA-O 3.08Å; E509-R542 HydrophobicContact CG-CB 4.48Å; E509-R542 VanDerWaalsContact OE1-CD 3.31Å; E509-R542 WeakPolarHBondContact OE1-CD 3.47Å; E509-R542 IonicContact OE1-NH1 3.72Å; E509-R542 PolarHBondContact OE1-NH1 2.9Å
510	N	93.1	Very high	95.7	Very high	139 Å²	139	36 Å²	36	74%	0.743	19%	0.193	S	C	*	.	S	Bend	trans	-110.5	-9.9	-174.4	-60.5	-54.9	0	0	0	114.3	T508	T508-N510 PolarHBondContact O-N 2.9Å; T508-N510 VanDerWaalsContact O-N 3.16Å
511	F	95.2	Very high	95.4	Very high	78 Å²	78	33.6 Å²	33.6	34%	0.342	18%	0.182	S	C	.	.			trans	-149.7	139.4	-177.3	175.5	-92.5	0	0	0	111	T455 N506 T508 L515	T455-F511 HydrophobicContact CG2-CE2 4.34Å; T455-F511 HydrophobicContact CG2-CZ 4.08Å; N506-F511 HydrophobicContact CB-CE1 4.35Å; N506-F511 WeakPolarHBondContact OD1-CD1 3.4Å; T508-F511 PolarHBondContact N-O 3.45Å; T508-F511 PolarHBondContact O-N 2.77Å; T508-F511 VanDerWaalsContact O-O 3.06Å; T508-F511 PolarHBondContact OG1-N 3.14Å; T508-F511 VanDerWaalsContact OG1-N 3.15Å; T508-F511 PolarHBondContact OG1-O 3.28Å; T508-F511 VanDerWaalsContact OG1-O 3.08Å; F511-L515 HydrophobicContact CD1-CD1 4.46Å; F511-L515 HydrophobicContact CE1-CD1 3.66Å; F511-L515 HydrophobicContact CE1-CD2 4.04Å; F511-L515 HydrophobicContact CE1-CG 3.85Å; F511-L515 HydrophobicContact CZ-CD1 4.26Å; F511-L515 HydrophobicContact CZ-CD2 3.8Å; F511-L515 HydrophobicContact CZ-CG 4.13Å
512	F	95.5	Very high	95.2	Very high	127 Å²	127	39.5 Å²	39.5	56%	0.557	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-142.7	137.9	165.4	55.9	-90.9	0	0	0	109.2	L504 N506 I507 F539	L504-F512 HydrophobicContact CD1-CD2 4.28Å; L504-F512 HydrophobicContact CD2-CD2 3.97Å; N506-F512 VanDerWaalsContact O-CA 3.29Å; N506-F512 WeakPolarHBondContact O-CA 3.4Å; I507-F512 HydrophobicContact CG1-CB 4.26Å; I507-F512 HydrophobicContact CG2-CB 4.29Å; F512-F539 HydrophobicContact CB-CE1 4.45Å; F512-F539 HydrophobicContact CB-CZ 4.41Å; F512-F539 HydrophobicContact CD1-CE1 4.3Å; F512-F539 HydrophobicContact CG-CE1 4.35Å; F512-F539 HydrophobicContact CG-CZ 4.3Å
513	G	96.2	Very high	94.9	Very high	10 Å²	10	36.5 Å²	36.5	10%	0.103	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	176.3	-177.4	0	0	0	0	0	113.9	T505 N506	T505-G513 PolarHBondContact N-O 2.97Å; N506-G513 PolarHBondContact N-O 2.94Å; N506-G513 PolarHBondContact O-N 2.79Å
514	C	97.3	Very high	94.9	Very high	8 Å²	8	36.1 Å²	36.1	5%	0.054	17%	0.172	C	C	.	.			trans	-84.5	116	167.6	179.4	0	0	0	0	108.3	T455 P456 T501 M503 Y517	T455-C514 WeakPolarHBondContact CA-O 3.24Å; P456-C514 HydrophobicContact CG-CB 4.01Å; T501-C514 WeakPolarHBondContact O-CB 3.46Å; M503-C514 VanDerWaalsContact O-CB 3.26Å; M503-C514 WeakPolarHBondContact O-CB 3.29Å; C514-Y517 PolarHBondContact O-OH 3.48Å
515	L	97.7	Very high	94.9	Very high	12 Å²	12	37.4 Å²	37.4	6%	0.063	18%	0.177	C	C	.	.			trans	-121.4	-17.4	174.4	-61.9	-174.9	0	0	0	112.5	L452 T455 T505 N506 F511 Y517	L452-L515 PolarHBondContact N-O 3.47Å; T455-L515 HydrophobicContact CG2-CD2 4.09Å; T505-L515 PolarHBondContact OG1-N 3.1Å; N506-L515 HydrophobicContact CB-CB 4.48Å; N506-L515 HydrophobicContact CB-CD1 3.7Å; N506-L515 HydrophobicContact CB-CG 4.09Å; F511-L515 HydrophobicContact CD1-CD1 4.46Å; F511-L515 HydrophobicContact CE1-CD1 3.66Å; F511-L515 HydrophobicContact CE1-CD2 4.04Å; F511-L515 HydrophobicContact CE1-CG 3.85Å; F511-L515 HydrophobicContact CZ-CD1 4.26Å; F511-L515 HydrophobicContact CZ-CD2 3.8Å; F511-L515 HydrophobicContact CZ-CG 4.13Å; L515-Y517 WeakPolarHBondContact O-CD2 2.99Å; L515-Y517 VanDerWaalsContact O-CE2 3.3Å; L515-Y517 WeakPolarHBondContact O-CE2 3.37Å
516	D	98	Very high	94.8	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	140.7	-176.8	-57.9	-97	0	0	0	110.2	G450 D451 T505 H553 L556	G450-D516 WeakPolarHBondContact O-CA 3.2Å; D451-D516 WeakPolarHBondContact CB-OD1 3.49Å; T505-D516 WeakPolarHBondContact CB-OD2 3.02Å; T505-D516 HydrophobicContact CG2-CB 4.07Å; T505-D516 PolarHBondContact OG1-N 3.22Å; T505-D516 PolarHBondContact OG1-OD2 2.69Å; D516-H553 IonicContact OD1-ND1 2.62Å; D516-H553 IonicContact OD2-CE1 2.81Å; D516-H553 IonicContact OD2-CG 3.99Å; D516-H553 IonicContact OD2-ND1 3.68Å; D516-H553 PolarHBondContact OD2-ND1 3.33Å; D516-L556 HydrophobicContact CB-CD1 3.84Å; D516-L556 HydrophobicContact CB-CG 4.13Å; D516-L556 WeakPolarHBondContact O-CD1 3.49Å
517	Y	97.5	Very high	94.6	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	153	-176.5	-59.5	-88.3	0	0	0	112.5	C449 G450 L452 S454 P456 H461 S499 T501 C514 L515 Y519	C449-Y517 WeakPolarHBondContact CA-O 3.28Å; G450-Y517 PolarHBondContact N-O 3.48Å; G450-Y517 VanDerWaalsContact N-O 3.1Å; G450-Y517 PolarHBondContact O-N 3.25Å; L452-Y517 HydrophobicContact CB-CD2 4.12Å; L452-Y517 HydrophobicContact CB-CE2 4.27Å; L452-Y517 HydrophobicContact CD1-CD2 3.72Å; L452-Y517 HydrophobicContact CD1-CE2 4.35Å; L452-Y517 HydrophobicContact CD1-CG 4.38Å; L452-Y517 HydrophobicContact CG-CD2 3.89Å; S454-Y517 VanDerWaalsContact O-CE2 3.27Å; S454-Y517 WeakPolarHBondContact O-CE2 3.46Å; S454-Y517 PolarHBondContact O-OH 2.63Å; P456-Y517 VanDerWaalsContact CD-OH 3.32Å; P456-Y517 WeakPolarHBondContact CD-OH 3.29Å; P456-Y517 HydrophobicContact CG-CE1 4.49Å; H461-Y517 AromaticContact ND1-CE1 3.81Å; S499-Y517 WeakPolarHBondContact OG-CA 3.36Å; T501-Y517 HydrophobicContact CG2-CD1 4.46Å; T501-Y517 HydrophobicContact CG2-CE1 4.11Å; C514-Y517 PolarHBondContact O-OH 3.48Å; L515-Y517 WeakPolarHBondContact O-CD2 2.99Å; L515-Y517 VanDerWaalsContact O-CE2 3.3Å; L515-Y517 WeakPolarHBondContact O-CE2 3.37Å; Y517-Y519 HydrophobicContact CD1-CE2 4.3Å; Y517-Y519 AromaticContact CD1-CZ 3.89Å; Y517-Y519 VanDerWaalsContact CD1-OH 3.29Å; Y517-Y519 WeakPolarHBondContact CD1-OH 3.26Å; Y517-Y519 HydrophobicContact CD2-CE2 4.36Å; Y517-Y519 AromaticContact CG-CE2 3.72Å; Y517-Y519 HydrophobicContact CG-CE2 3.72Å; Y517-Y519 AromaticContact CG-CZ 3.77Å
518	V	97.1	Very high	94.5	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	111.4	163.6	177.6	0	0	0	0	108.1	L294 C449 L498 S499 L556 M558	L294-V518 HydrophobicContact CD2-CB 4.37Å; L294-V518 HydrophobicContact CD2-CG1 3.48Å; L294-V518 VanDerWaalsContact CD2-CG1 3.48Å; L294-V518 HydrophobicContact CD2-CG2 3.92Å; C449-V518 HydrophobicContact CB-CG2 4.47Å; L498-V518 HydrophobicContact CB-CB 4.34Å; L498-V518 HydrophobicContact CB-CG1 4.01Å; L498-V518 HydrophobicContact CD1-CG1 4.07Å; L498-V518 HydrophobicContact CG-CG1 4.33Å; L498-V518 PolarHBondContact N-O 3.45Å; S499-V518 PolarHBondContact N-O 2.55Å; S499-V518 PolarHBondContact OG-N 3.38Å; V518-L556 HydrophobicContact CG2-CD1 4.01Å; V518-M558 HydrophobicContact CB-CE 3.83Å; V518-M558 HydrophobicContact CB-SD 4.1Å; V518-M558 HydrophobicContact CG1-CE 4.38Å; V518-M558 HydrophobicContact CG1-SD 3.97Å; V518-M558 HydrophobicContact CG2-CE 3.67Å; V518-M558 HydrophobicContact CG2-SD 4.21Å
519	Y	95.9	Very high	94.4	Very high	1 Å²	1	52.2 Å²	52.2	0%	0.004	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	151.9	170.6	-57.4	-84	0	0	0	110.5	F448 L452 H461 L464 T465 I496 C497 Y517	F448-Y519 AromaticContact CD1-CD2 3.63Å; F448-Y519 HydrophobicContact CD1-CD2 3.63Å; F448-Y519 HydrophobicContact CD1-CE2 4.42Å; F448-Y519 HydrophobicContact CD1-CG 4.35Å; F448-Y519 HydrophobicContact CE1-CD2 4.12Å; F448-Y519 PolarHBondContact N-O 3.01Å; F448-Y519 PolarHBondContact O-N 3.31Å; L452-Y519 HydrophobicContact CD1-CE2 3.74Å; H461-Y519 AromaticContact ND1-CE1 3.7Å; H461-Y519 AromaticContact ND1-CZ 3.71Å; H461-Y519 PolarHBondContact ND1-OH 2.97Å; L464-Y519 HydrophobicContact CB-CD1 4.16Å; L464-Y519 HydrophobicContact CB-CE1 3.95Å; L464-Y519 HydrophobicContact CB-CE2 4.43Å; L464-Y519 HydrophobicContact CB-CG 4.49Å; L464-Y519 HydrophobicContact CD1-CD2 3.82Å; L464-Y519 HydrophobicContact CD1-CE1 4.34Å; L464-Y519 HydrophobicContact CD1-CE2 3.37Å; L464-Y519 HydrophobicContact CD1-CG 4.44Å; T465-Y519 HydrophobicContact CG2-CD1 4.26Å; T465-Y519 HydrophobicContact CG2-CE1 3.84Å; I496-Y519 CarbonylContact O-C 3.48Å; I496-Y519 VanDerWaalsContact O-CA 3.22Å; I496-Y519 WeakPolarHBondContact O-CA 3.47Å; C497-Y519 HydrophobicContact CB-CD1 3.98Å; C497-Y519 HydrophobicContact CB-CE1 3.94Å; Y517-Y519 HydrophobicContact CD1-CE2 4.3Å; Y517-Y519 AromaticContact CD1-CZ 3.89Å; Y517-Y519 VanDerWaalsContact CD1-OH 3.29Å; Y517-Y519 WeakPolarHBondContact CD1-OH 3.26Å; Y517-Y519 HydrophobicContact CD2-CE2 4.36Å; Y517-Y519 AromaticContact CG-CE2 3.72Å; Y517-Y519 HydrophobicContact CG-CE2 3.72Å; Y517-Y519 AromaticContact CG-CZ 3.77Å
520	A	93.7	Very high	94.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	161.8	-178	0	0	0	0	0	113.5	V446 L447 M495 I496 L498 F524	V446-A520 CarbonylContact O-C 3.47Å; V446-A520 VanDerWaalsContact O-CA 3.24Å; V446-A520 WeakPolarHBondContact O-CA 3.18Å; L447-A520 HydrophobicContact CD2-CB 3.73Å; M495-A520 WeakPolarHBondContact CA-O 3.35Å; M495-A520 WeakPolarHBondContact CB-O 3.47Å; I496-A520 HydrophobicContact CG1-CB 4.09Å; I496-A520 VanDerWaalsContact CG1-O 3.29Å; I496-A520 WeakPolarHBondContact CG1-O 3.22Å; I496-A520 PolarHBondContact N-O 3.45Å; I496-A520 PolarHBondContact O-N 2.76Å; L498-A520 HydrophobicContact CD1-CB 3.53Å; L498-A520 HydrophobicContact CD2-CB 4.13Å; L498-A520 HydrophobicContact CG-CB 3.71Å; A520-F524 HydrophobicContact CB-CB 3.71Å; A520-F524 HydrophobicContact CB-CD2 3.66Å; A520-F524 HydrophobicContact CB-CG 3.92Å
521	S	89.5	Confident	94.5	Very high	28 Å²	28	46.3 Å²	46.3	20%	0.196	22%	0.222	C	C	.	.			trans	-63.1	159.8	161.1	-60.1	0	0	0	0	110.8	V446 I496 E523 F524	V446-S521 PolarHBondContact N-OG 3.46Å; V446-S521 PolarHBondContact O-N 3.22Å; I496-S521 WeakPolarHBondContact CD1-O 3.32Å; S521-E523 WeakPolarHBondContact CB-OE1 3.37Å; S521-E523 WeakPolarHBondContact CB-OE2 3.26Å; S521-E523 PolarHBondContact O-N 3.45Å; S521-E523 VanDerWaalsContact O-N 3.17Å; S521-F524 PolarHBondContact O-N 2.86Å; S521-F524 VanDerWaalsContact O-N 3.17Å
522	R	89.5	Confident	94.4	Very high	176 Å²	176	44.2 Å²	44.2	66%	0.664	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.4	-167.4	-65.6	-177.4	178.4	-158.8	-1.5	115.1	I496 F524	I496-R522 HydrophobicContact CG2-CG 4.35Å; R522-F524 VanDerWaalsContact C-N 3.28Å
523	E	89	Confident	94.4	Very high	31 Å²	31	38.5 Å²	38.5	15%	0.145	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-14.2	178.8	61.1	-89.4	-148.2	0	0	113.1	S445 S521 I562 D563 V566	S445-E523 WeakPolarHBondContact CA-OE1 3.41Å; S445-E523 WeakPolarHBondContact CB-OE1 3.37Å; S445-E523 WeakPolarHBondContact OG-CG 3.45Å; S445-E523 PolarHBondContact OG-OE1 2.87Å; S521-E523 WeakPolarHBondContact CB-OE1 3.37Å; S521-E523 WeakPolarHBondContact CB-OE2 3.26Å; S521-E523 PolarHBondContact O-N 3.45Å; S521-E523 VanDerWaalsContact O-N 3.17Å; E523-I562 HydrophobicContact CB-CG2 4.23Å; E523-I562 HydrophobicContact CG-CG2 4Å; E523-D563 PolarHBondContact O-N 3.23Å; E523-V566 HydrophobicContact CB-CB 3.93Å; E523-V566 HydrophobicContact CB-CG1 3.98Å
524	F	93.4	Very high	94.1	Very high	9 Å²	9	40.1 Å²	40.1	4%	0.039	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	138.8	175.3	-73.4	-81.5	0	0	0	111.9	S445 V446 L447 I496 L498 A520 S521 R522 I560 E561 I562	S445-F524 VanDerWaalsContact CB-CE2 3.43Å; V446-F524 WeakPolarHBondContact O-CE2 3.49Å; L447-F524 HydrophobicContact CD1-CE1 3.83Å; L447-F524 HydrophobicContact CD1-CZ 3.81Å; L447-F524 HydrophobicContact CD2-CD1 3.93Å; L447-F524 HydrophobicContact CD2-CD2 3.97Å; L447-F524 HydrophobicContact CD2-CE1 3.87Å; L447-F524 HydrophobicContact CD2-CE2 3.86Å; L447-F524 HydrophobicContact CD2-CG 3.97Å; L447-F524 HydrophobicContact CD2-CZ 3.84Å; L447-F524 HydrophobicContact CG-CD1 4.44Å; L447-F524 HydrophobicContact CG-CD2 4.4Å; L447-F524 HydrophobicContact CG-CE1 3.87Å; L447-F524 HydrophobicContact CG-CE2 3.78Å; L447-F524 HydrophobicContact CG-CZ 3.5Å; I496-F524 VanDerWaalsContact CD1-O 3.24Å; I496-F524 WeakPolarHBondContact CD1-O 3.43Å; L498-F524 HydrophobicContact CD1-CB 4Å; L498-F524 HydrophobicContact CD2-CB 4.47Å; A520-F524 HydrophobicContact CB-CB 3.71Å; A520-F524 HydrophobicContact CB-CD2 3.66Å; A520-F524 HydrophobicContact CB-CG 3.92Å; S521-F524 PolarHBondContact O-N 2.86Å; S521-F524 VanDerWaalsContact O-N 3.17Å; R522-F524 VanDerWaalsContact C-N 3.28Å; F524-I560 HydrophobicContact CD1-CD1 4.08Å; F524-I560 HydrophobicContact CE1-CD1 4.21Å; F524-E561 CarbonylContact C-O 3.59Å; F524-E561 WeakPolarHBondContact CA-O 3.4Å; F524-I562 HydrophobicContact CD1-CG1 3.75Å; F524-I562 HydrophobicContact CE1-CD1 3.83Å; F524-I562 HydrophobicContact CE1-CG1 3.37Å; F524-I562 HydrophobicContact CZ-CD1 3.98Å; F524-I562 HydrophobicContact CZ-CG1 3.91Å
525	Q	93.5	Very high	93.8	Very high	78 Å²	78	42.8 Å²	42.8	36%	0.364	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.1	175	-61.8	-176	12.8	0	0	110.4	I560 E561 D563	Q525-I560 VanDerWaalsContact O-CA 3.28Å; Q525-I560 WeakPolarHBondContact O-CA 3.29Å; Q525-E561 HydrophobicContact CB-CG 4.12Å; Q525-E561 PolarHBondContact N-O 3.42Å; Q525-E561 PolarHBondContact O-N 3.19Å; Q525-D563 HydrophobicContact CG-CB 4.38Å; Q525-D563 VanDerWaalsContact NE2-CB 3.29Å; Q525-D563 PolarHBondContact NE2-OD2 3.43Å
526	V	95.3	Very high	93.5	Very high	55 Å²	55	48.9 Å²	48.9	33%	0.333	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	120.6	174.6	-176.8	0	0	0	0	109.1	L498 V529 I560	L498-V526 HydrophobicContact CB-CG2 3.75Å; L498-V526 HydrophobicContact CD1-CG2 4.46Å; L498-V526 HydrophobicContact CD2-CG2 4Å; L498-V526 HydrophobicContact CG-CG2 4.28Å; V526-V529 HydrophobicContact CG1-CG2 3.45Å; V526-V529 VanDerWaalsContact CG1-CG2 3.45Å; V526-I560 HydrophobicContact CG2-CG2 4.46Å
527	R	94.2	Very high	93.2	Very high	159 Å²	159	50.2 Å²	50.2	60%	0.6	26%	0.257	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	-35.6	174.4	-75	-64.3	-159.6	-174.4	-11.2	112.4	D559 E561	R527-D559 HydrophobicContact CB-CB 4.35Å; R527-D559 PolarHBondContact N-O 3.18Å; R527-E561 HydrophobicContact CG-CB 4.44Å; R527-E561 HydrophobicContact CG-CG 4.03Å; R527-E561 IonicContact CZ-OE1 2.99Å; R527-E561 IonicContact CZ-OE2 3.11Å; R527-E561 IonicContact NE-OE1 3.78Å; R527-E561 PolarHBondContact NE-OE1 3.3Å; R527-E561 IonicContact NE-OE2 3.73Å; R527-E561 PolarHBondContact NE-OE2 3.46Å; R527-E561 IonicContact NH1-OE1 3.95Å; R527-E561 IonicContact NH2-OE1 2.71Å; R527-E561 PolarHBondContact NH2-OE1 3.06Å; R527-E561 IonicContact NH2-OE2 2.75Å; R527-E561 PolarHBondContact NH2-OE2 3.31Å
528	N	93.9	Very high	93	Very high	56 Å²	56	50.4 Å²	50.4	30%	0.299	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	143	-176.7	-176.1	37	0	0	0	109.7	F530 M558 D559	N528-F530 WeakPolarHBondContact ND2-CE2 3.28Å; N528-F530 WeakPolarHBondContact ND2-CZ 3.24Å; N528-M558 CarbonylContact O-C 3.58Å; N528-M558 VanDerWaalsContact O-CA 3.31Å; N528-M558 WeakPolarHBondContact O-CA 3.02Å; N528-M558 WeakPolarHBondContact O-CB 3.27Å; N528-D559 HydrophobicContact CB-CB 3.98Å; N528-D559 PolarHBondContact N-O 3Å; N528-D559 PolarHBondContact ND2-OD2 3.01Å; N528-D559 PolarHBondContact O-N 2.89Å
529	V	93.6	Very high	92.9	Very high	61 Å²	61	54.2 Å²	54.2	37%	0.37	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	133	173.3	-178.8	0	0	0	0	107.6	V526	V526-V529 HydrophobicContact CG1-CG2 3.45Å; V526-V529 VanDerWaalsContact CG1-CG2 3.45Å
530	F	94.7	Very high	92.8	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.018	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-91.2	121.5	174.3	-63.7	-92.8	0	0	0	108.5	L281 C282 N528 L557 D559	L281-F530 HydrophobicContact CB-CD1 3.79Å; L281-F530 HydrophobicContact CB-CE1 3.89Å; L281-F530 HydrophobicContact CD1-CD1 4.49Å; C282-F530 HydrophobicContact CB-CE1 4.33Å; C282-F530 VanDerWaalsContact SG-CE1 3.57Å; N528-F530 WeakPolarHBondContact ND2-CE2 3.28Å; N528-F530 WeakPolarHBondContact ND2-CZ 3.24Å; F530-L557 HydrophobicContact CB-CB 3.77Å; F530-L557 HydrophobicContact CD2-CB 3.91Å; F530-L557 WeakPolarHBondContact CD2-O 3.24Å; F530-L557 HydrophobicContact CG-CB 4.12Å; F530-L557 PolarHBondContact N-O 3.25Å; F530-D559 WeakPolarHBondContact CE2-OD2 3.49Å
531	P	94	Very high	92.9	Very high	79 Å²	79	62.6 Å²	62.6	51%	0.513	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-64.6	158.1	-177	28.1	-35.4	0	0	0	111.2	R278 L281	R278-P531 VanDerWaalsContact CD-O 3.28Å; R278-P531 WeakPolarHBondContact CD-O 3.19Å; L281-P531 HydrophobicContact CD1-CG 4.3Å
532	A	93.9	Very high	93.1	Very high	33 Å²	33	68.8 Å²	68.8	27%	0.273	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-55.4	154.5	167.3	0	0	0	0	0	111.1	M503	M503-A532 HydrophobicContact CE-CB 3.69Å; M503-A532 HydrophobicContact CG-CB 3.91Å; M503-A532 HydrophobicContact SD-CB 4.26Å
533	P	94	Very high	93.3	Very high	8 Å²	8	60.4 Å²	60.4	5%	0.052	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-54	156.4	168.9	-22.4	33.5	0	0	0	111.6	I274 S535 I537 L538 I554	I274-P533 HydrophobicContact CB-CB 4.35Å; I274-P533 HydrophobicContact CB-CG 4.14Å; I274-P533 WeakPolarHBondContact O-CB 3.36Å; I274-P533 WeakPolarHBondContact O-CG 3.49Å; P533-S535 PolarHBondContact O-N 2.73Å; P533-I537 HydrophobicContact CB-CG2 4.04Å; P533-L538 HydrophobicContact CB-CD1 4.18Å; P533-L538 HydrophobicContact CB-CD2 3.91Å; P533-L538 HydrophobicContact CB-CG 3.98Å; P533-L538 HydrophobicContact CG-CD2 4.01Å; P533-L538 VanDerWaalsContact O-CD1 3.22Å; P533-L538 WeakPolarHBondContact O-CD1 3.37Å; P533-I554 HydrophobicContact CG-CG2 4.29Å
534	P	91.4	Very high	93.7	Very high	43 Å²	43	59 Å²	59	28%	0.279	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-53.3	140.3	177.2	-25.8	34	0	0	0	112.2	E277 E536 I537 L538	E277-P534 WeakPolarHBondContact OE2-CD 3.49Å; E277-P534 VanDerWaalsContact OE2-CG 3.25Å; E277-P534 WeakPolarHBondContact OE2-CG 3.31Å; P534-E536 VanDerWaalsContact CB-OE2 3.29Å; P534-E536 WeakPolarHBondContact CB-OE2 3.5Å; P534-E536 PolarHBondContact O-N 2.85Å; P534-E536 VanDerWaalsContact O-N 3.16Å; P534-I537 HydrophobicContact CB-CG2 4.33Å; P534-I537 WeakPolarHBondContact O-CG2 3.49Å; P534-I537 PolarHBondContact O-N 3.23Å; P534-L538 WeakPolarHBondContact O-CG 3.49Å; P534-L538 PolarHBondContact O-N 2.85Å
535	S	90.4	Very high	93.9	Very high	64 Å²	64	58.5 Å²	58.5	45%	0.448	29%	0.293	S	S	.	.	H	α-helix	trans	-58.1	-33.2	-179	62.3	0	0	0	0	112.3	P533 I537 L538 F539	P533-S535 PolarHBondContact O-N 2.73Å; S535-I537 VanDerWaalsContact C-N 3.32Å; S535-I537 PolarHBondContact O-N 2.83Å; S535-L538 PolarHBondContact O-N 3.35Å; S535-F539 VanDerWaalsContact O-CD2 3.24Å; S535-F539 WeakPolarHBondContact O-CD2 3.47Å; S535-F539 PolarHBondContact O-N 2.81Å
536	E	91.1	Very high	94.1	Very high	141 Å²	141	55 Å²	55	66%	0.659	28%	0.277	S	S	*	.	H	α-helix	trans	-58.9	-41.9	-179	-61.6	77.1	-172.6	0	0	111.9	P534 E540	P534-E536 VanDerWaalsContact CB-OE2 3.29Å; P534-E536 WeakPolarHBondContact CB-OE2 3.5Å; P534-E536 PolarHBondContact O-N 2.85Å; P534-E536 VanDerWaalsContact O-N 3.16Å; E536-E540 WeakPolarHBondContact O-CB 3.4Å; E536-E540 PolarHBondContact O-N 3.14Å
537	I	92.6	Very high	94.1	Very high	27 Å²	27	53.6 Å²	53.6	14%	0.138	27%	0.268	C	S	.	.	H	α-helix	trans	-78.9	-32.5	178.4	-168.2	168.9	0	0	0	112	I274 P533 P534 S535	I274-I537 HydrophobicContact CG2-CD1 4.27Å; I274-I537 HydrophobicContact CG2-CG1 4.12Å; P533-I537 HydrophobicContact CB-CG2 4.04Å; P534-I537 HydrophobicContact CB-CG2 4.33Å; P534-I537 WeakPolarHBondContact O-CG2 3.49Å; P534-I537 PolarHBondContact O-N 3.23Å; S535-I537 VanDerWaalsContact C-N 3.32Å; S535-I537 PolarHBondContact O-N 2.83Å
538	L	93.5	Very high	94.3	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-70	-34.2	-179.7	-68.7	176.3	0	0	0	112.8	I274 I507 P533 P534 S535 L544 I554	I274-L538 HydrophobicContact CG2-CD2 4.17Å; I507-L538 HydrophobicContact CD1-CB 3.71Å; I507-L538 HydrophobicContact CD1-CD1 3.77Å; I507-L538 HydrophobicContact CD1-CD2 4.36Å; I507-L538 HydrophobicContact CD1-CG 4.15Å; P533-L538 HydrophobicContact CB-CD1 4.18Å; P533-L538 HydrophobicContact CB-CD2 3.91Å; P533-L538 HydrophobicContact CB-CG 3.98Å; P533-L538 HydrophobicContact CG-CD2 4.01Å; P533-L538 VanDerWaalsContact O-CD1 3.22Å; P533-L538 WeakPolarHBondContact O-CD1 3.37Å; P534-L538 WeakPolarHBondContact O-CG 3.49Å; P534-L538 PolarHBondContact O-N 2.85Å; S535-L538 PolarHBondContact O-N 3.35Å; L538-L544 HydrophobicContact CD2-CD1 4.08Å; L538-I554 HydrophobicContact CD1-CD1 3.61Å; L538-I554 HydrophobicContact CD2-CD1 3.6Å; L538-I554 HydrophobicContact CD2-CG1 4.13Å; L538-I554 HydrophobicContact CG-CD1 4.24Å
539	F	93.7	Very high	94.4	Very high	81 Å²	81	43.5 Å²	43.5	36%	0.355	23%	0.226	S	C	.	.	H	α-helix	trans	-99.8	-4.1	-178.8	-68.9	-78.2	0	0	0	114	L504 I507 F512 S535 H541 R542	L504-F539 HydrophobicContact CD1-CE2 4.13Å; L504-F539 HydrophobicContact CD1-CZ 3.93Å; I507-F539 HydrophobicContact CD1-CE2 4.35Å; I507-F539 HydrophobicContact CD1-CZ 4.2Å; I507-F539 HydrophobicContact CG2-CD1 4.09Å; I507-F539 HydrophobicContact CG2-CE1 3.68Å; I507-F539 HydrophobicContact CG2-CZ 4.13Å; F512-F539 HydrophobicContact CB-CE1 4.45Å; F512-F539 HydrophobicContact CB-CZ 4.41Å; F512-F539 HydrophobicContact CD1-CE1 4.3Å; F512-F539 HydrophobicContact CG-CE1 4.35Å; F512-F539 HydrophobicContact CG-CZ 4.3Å; S535-F539 VanDerWaalsContact O-CD2 3.24Å; S535-F539 WeakPolarHBondContact O-CD2 3.47Å; S535-F539 PolarHBondContact O-N 2.81Å; F539-H541 PolarHBondContact O-N 2.88Å; F539-H541 VanDerWaalsContact O-N 3.08Å; F539-R542 PolarHBondContact O-N 3.26Å
540	E	94.1	Very high	94.6	Very high	112 Å²	112	40.6 Å²	40.6	52%	0.523	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-38.6	-177.7	-173	175.4	-178.7	0	0	112.9	E536	E536-E540 WeakPolarHBondContact O-CB 3.4Å; E536-E540 PolarHBondContact O-N 3.14Å
541	H	94.9	Very high	94.7	Very high	64 Å²	64	40.4 Å²	40.4	30%	0.296	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	28.4	-176.9	-59.3	-60.4	0	0	0	113.5	F539 G543 V547	F539-H541 PolarHBondContact O-N 2.88Å; F539-H541 VanDerWaalsContact O-N 3.08Å; H541-G543 PolarHBondContact O-N 3.17Å; H541-G543 VanDerWaalsContact O-N 3.09Å; H541-V547 WeakPolarHBondContact NE2-CG1 3.15Å
542	R	93.9	Very high	94.9	Very high	158 Å²	158	37.2 Å²	37.2	60%	0.596	19%	0.186	S	C	*	.	S	Bend	trans	68.3	-8.6	-176.9	-43.1	177.1	-148.5	169.5	6.8	115.3	E509 F539	E509-R542 WeakPolarHBondContact CA-O 3.08Å; E509-R542 HydrophobicContact CG-CB 4.48Å; E509-R542 VanDerWaalsContact OE1-CD 3.31Å; E509-R542 WeakPolarHBondContact OE1-CD 3.47Å; E509-R542 IonicContact OE1-NH1 3.72Å; E509-R542 PolarHBondContact OE1-NH1 2.9Å; F539-R542 PolarHBondContact O-N 3.26Å
543	G	94.8	Very high	95.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	160.8	-167.4	174.7	0	0	0	0	0	111.6	H541	H541-G543 PolarHBondContact O-N 3.17Å; H541-G543 VanDerWaalsContact O-N 3.09Å
544	L	97.4	Very high	95.3	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	17%	0.172	C	C	.	.	S	Bend	trans	-116.8	156	176.1	-64.2	-179.8	0	0	0	110.2	I274 Y318 I507 L538 S551 D552 I554	I274-L544 HydrophobicContact CD1-CD1 4.15Å; Y318-L544 PolarHBondContact OH-O 2.84Å; I507-L544 WeakPolarHBondContact O-CA 3.24Å; I507-L544 PolarHBondContact O-N 2.97Å; L538-L544 HydrophobicContact CD2-CD1 4.08Å; L544-S551 VanDerWaalsContact CB-O 3.24Å; L544-S551 WeakPolarHBondContact CB-O 3.47Å; L544-D552 WeakPolarHBondContact O-CB 3.33Å; L544-I554 HydrophobicContact CD1-CG1 4.02Å
545	P	97.5	Very high	95.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	16%	0.159	C	C	.	.	S	Bend	cis	-62.3	157.6	-8.7	31.4	-37.5	0	0	0	111.4	L300 F316 C319 G549	L300-P545 HydrophobicContact CD2-CB 4.4Å; L300-P545 HydrophobicContact CD2-CG 3.96Å; F316-P545 HydrophobicContact CB-CG 4.41Å; F316-P545 HydrophobicContact CD1-CG 4.34Å; F316-P545 HydrophobicContact CD2-CG 4.01Å; F316-P545 HydrophobicContact CE2-CG 4.29Å; F316-P545 HydrophobicContact CG-CG 4.01Å; C319-P545 WeakPolarHBondContact CB-O 3.49Å; C319-P545 PolarHBondContact SG-O 3.01Å; P545-G549 CarbonylContact C-O 3.55Å; P545-G549 WeakPolarHBondContact CA-O 3.24Å
546	S	97	Very high	95.9	Very high	4 Å²	4	30.6 Å²	30.6	3%	0.028	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-148.9	-176.2	179.7	72.4	0	0	0	0	110.7	S548 G549	S546-S548 PolarHBondContact O-N 3.09Å; S546-S548 PolarHBondContact OG-N 3.17Å; S546-S548 VanDerWaalsContact OG-N 3.15Å; S546-G549 PolarHBondContact N-O 2.89Å; S546-G549 PolarHBondContact O-N 3.07Å; S546-G549 PolarHBondContact OG-N 3.28Å
547	V	96.7	Very high	96.2	Very high	26 Å²	26	24 Å²	24	16%	0.158	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-30	170	66.3	0	0	0	0	111.9	P270 Y323 Y328 H541	P270-V547 HydrophobicContact CB-CG2 4.01Å; P270-V547 VanDerWaalsContact CB-O 3.28Å; P270-V547 WeakPolarHBondContact CB-O 3.28Å; Y323-V547 HydrophobicContact CD1-CB 4.26Å; Y323-V547 HydrophobicContact CD1-CG2 4.1Å; Y323-V547 HydrophobicContact CD2-CB 3.79Å; Y323-V547 HydrophobicContact CD2-CG2 4.34Å; Y323-V547 HydrophobicContact CE1-CB 4.17Å; Y323-V547 HydrophobicContact CE1-CG2 3.66Å; Y323-V547 HydrophobicContact CE2-CB 3.69Å; Y323-V547 HydrophobicContact CE2-CG2 3.94Å; Y323-V547 HydrophobicContact CG-CB 4.08Å; Y323-V547 HydrophobicContact CG-CG2 4.42Å; Y328-V547 WeakPolarHBondContact OH-CG2 3.47Å; Y328-V547 PolarHBondContact OH-O 2.77Å; H541-V547 WeakPolarHBondContact NE2-CG1 3.15Å
548	S	96.5	Very high	96.4	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.014	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-11.4	-173.7	-54.9	0	0	0	0	114.3	S272 I274 S546	S272-S548 PolarHBondContact O-OG 3.21Å; S272-S548 PolarHBondContact OG-OG 3.06Å; I274-S548 PolarHBondContact N-O 3.48Å; I274-S548 VanDerWaalsContact N-O 3.15Å; S546-S548 PolarHBondContact O-N 3.09Å; S546-S548 PolarHBondContact OG-N 3.17Å; S546-S548 VanDerWaalsContact OG-N 3.15Å
549	G	96.8	Very high	96.6	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-149.2	130.8	-175	0	0	0	0	0	113.2	P545 S546	P545-G549 CarbonylContact C-O 3.55Å; P545-G549 WeakPolarHBondContact CA-O 3.24Å; S546-G549 PolarHBondContact N-O 2.89Å; S546-G549 PolarHBondContact O-N 3.07Å; S546-G549 PolarHBondContact OG-N 3.28Å
550	P	97.4	Very high	96.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	8%	0.084	C	C	.	.	S	Bend	trans	-88.3	-10.2	-167.2	32.2	-35.7	0	0	0	116.8	R329 L332 L333	R329-P550 HydrophobicContact CB-CB 3.91Å; R329-P550 VanDerWaalsContact CD-O 3.28Å; R329-P550 WeakPolarHBondContact CD-O 3.43Å; R329-P550 HydrophobicContact CG-CB 4.36Å; R329-P550 PolarHBondContact NH1-O 3.26Å; L332-P550 HydrophobicContact CB-CB 3.85Å; L332-P550 HydrophobicContact CB-CG 3.89Å; L332-P550 HydrophobicContact CD1-CB 4.3Å; L333-P550 HydrophobicContact CD1-CB 4.4Å; L333-P550 HydrophobicContact CD2-CB 4.12Å; L333-P550 HydrophobicContact CD2-CG 3.46Å; L333-P550 VanDerWaalsContact CD2-CG 3.46Å; L333-P550 HydrophobicContact CG-CB 3.76Å; L333-P550 HydrophobicContact CG-CG 3.56Å
551	S	98	Very high	96.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	6%	0.063	C	C	.	.	S	Bend	trans	-132.4	152.9	179.9	174.8	0	0	0	0	108.2	Y297 N298 L544 H553	Y297-S551 WeakPolarHBondContact OH-CB 3.22Å; N298-S551 WeakPolarHBondContact O-CB 3.12Å; N298-S551 PolarHBondContact O-OG 3.36Å; L544-S551 VanDerWaalsContact CB-O 3.24Å; L544-S551 WeakPolarHBondContact CB-O 3.47Å; S551-H553 PolarHBondContact O-N 3.28Å; S551-H553 PolarHBondContact OG-N 3.24Å; S551-H553 VanDerWaalsContact OG-N 3.15Å
552	D	97.5	Very high	96.4	Very high	12 Å²	12	14.4 Å²	14.4	6%	0.064	7%	0.065	C	C	.	.	S	Bend	trans	-67.7	-10.2	169.9	58.8	-45.3	0	0	0	113.4	F316 N506 I507 T508 L544	F316-D552 HydrophobicContact CE1-CB 3.82Å; F316-D552 HydrophobicContact CZ-CB 4.04Å; N506-D552 WeakPolarHBondContact CA-O 3.42Å; N506-D552 PolarHBondContact ND2-OD2 3.18Å; I507-D552 PolarHBondContact N-O 2.97Å; T508-D552 HydrophobicContact CG2-CB 3.97Å; L544-D552 WeakPolarHBondContact O-CB 3.33Å
553	H	98.1	Very high	96.1	Very high	4 Å²	4	8.6 Å²	8.6	2%	0.019	5%	0.046	C	C	.	.	B	Isolated β-bridge	trans	-100.8	160.3	174.1	-67.2	-110.1	0	0	0	114	Y297 N298 D451 T505 N506 D516 S551	Y297-H553 HydrophobicContact CE2-CB 4.34Å; Y297-H553 WeakPolarHBondContact CE2-O 3.45Å; N298-H553 HydrophobicContact CB-CB 3.98Å; D451-H553 IonicContact OD1-CE1 3.25Å; D451-H553 IonicContact OD2-CE1 3.78Å; D451-H553 PolarHBondContact OD2-CE1 3.2Å; D451-H553 IonicContact OD2-NE2 3.53Å; T505-H553 CarbonylContact O-C 3.39Å; T505-H553 WeakPolarHBondContact O-CA 3.35Å; T505-H553 WeakPolarHBondContact O-CB 3.38Å; N506-H553 PolarHBondContact ND2-CD2 3.42Å; N506-H553 VanDerWaalsContact ND2-CD2 3.27Å; N506-H553 PolarHBondContact ND2-CE1 2.97Å; N506-H553 PolarHBondContact ND2-NE2 2.93Å; D516-H553 IonicContact OD1-ND1 2.62Å; D516-H553 IonicContact OD2-CE1 2.81Å; D516-H553 IonicContact OD2-CG 3.99Å; D516-H553 IonicContact OD2-ND1 3.68Å; D516-H553 PolarHBondContact OD2-ND1 3.33Å; S551-H553 PolarHBondContact O-N 3.28Å; S551-H553 PolarHBondContact OG-N 3.24Å; S551-H553 VanDerWaalsContact OG-N 3.15Å
554	I	97.3	Very high	95.4	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.076	C	C	.	.			trans	-115.4	128.9	175.4	-59.3	167.8	0	0	0	107.7	R278 M503 T505 I507 P533 L538 L544 L556	R278-I554 VanDerWaalsContact NH1-CG2 3.29Å; M503-I554 HydrophobicContact CE-CG2 4Å; T505-I554 PolarHBondContact O-N 3.16Å; I507-I554 HydrophobicContact CD1-CD1 3.8Å; I507-I554 HydrophobicContact CG1-CD1 4.33Å; P533-I554 HydrophobicContact CG-CG2 4.29Å; L538-I554 HydrophobicContact CD1-CD1 3.61Å; L538-I554 HydrophobicContact CD2-CD1 3.6Å; L538-I554 HydrophobicContact CD2-CG1 4.13Å; L538-I554 HydrophobicContact CG-CD1 4.24Å; L544-I554 HydrophobicContact CD1-CG1 4.02Å; I554-L556 PolarHBondContact O-N 3.47Å
555	P	97.7	Very high	94.3	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.102	C	C	.	.			trans	-63.2	133.7	-180	19.5	-28.8	0	0	0	111.8	R278 M295 S296 Y297 Y340 L557	R278-P555 PolarHBondContact NH1-O 3.08Å; M295-P555 HydrophobicContact CG-CB 3.97Å; M295-P555 HydrophobicContact SD-CB 4.15Å; S296-P555 CarbonylContact O-C 3.58Å; S296-P555 VanDerWaalsContact O-CA 3.31Å; S296-P555 WeakPolarHBondContact O-CA 3.42Å; Y297-P555 HydrophobicContact CD1-CB 4.07Å; Y297-P555 HydrophobicContact CD1-CG 4.24Å; Y297-P555 HydrophobicContact CD2-CB 3.99Å; Y297-P555 HydrophobicContact CD2-CG 4.33Å; Y297-P555 HydrophobicContact CE1-CG 4.38Å; Y297-P555 HydrophobicContact CG-CB 3.71Å; Y297-P555 HydrophobicContact CG-CG 4.23Å; Y340-P555 HydrophobicContact CE2-CB 4.48Å; Y340-P555 HydrophobicContact CE2-CG 3.83Å; P555-L557 HydrophobicContact CB-CD1 4.29Å; P555-L557 HydrophobicContact CG-CD1 4.24Å
556	L	98	Very high	93	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.026	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	130.6	163.9	-70.9	180	0	0	0	109.1	M295 S296 M503 T505 D516 V518 I554	M295-L556 VanDerWaalsContact CA-O 3.25Å; M295-L556 WeakPolarHBondContact CA-O 3.34Å; S296-L556 PolarHBondContact N-O 3.2Å; S296-L556 PolarHBondContact O-N 3.27Å; M503-L556 HydrophobicContact CE-CD2 4.19Å; M503-L556 HydrophobicContact SD-CD2 3.98Å; T505-L556 HydrophobicContact CG2-CD2 3.69Å; T505-L556 HydrophobicContact CG2-CG 4.27Å; D516-L556 HydrophobicContact CB-CD1 3.84Å; D516-L556 HydrophobicContact CB-CG 4.13Å; D516-L556 WeakPolarHBondContact O-CD1 3.49Å; V518-L556 HydrophobicContact CG2-CD1 4.01Å; I554-L556 PolarHBondContact O-N 3.47Å
557	L	97.2	Very high	91.2	Very high	2 Å²	2	26 Å²	26	1%	0.01	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	124.2	-175.4	-78.9	147.8	0	0	0	109.8	M295 Y340 F530 P555	M295-L557 HydrophobicContact CB-CD2 4.06Å; M295-L557 HydrophobicContact CG-CD2 3.97Å; M295-L557 HydrophobicContact CG-CG 4.26Å; M295-L557 HydrophobicContact SD-CD2 4.37Å; Y340-L557 HydrophobicContact CD1-CD1 3.54Å; Y340-L557 HydrophobicContact CD1-CD2 3.79Å; Y340-L557 HydrophobicContact CD1-CG 4.33Å; Y340-L557 HydrophobicContact CD2-CD1 4.25Å; Y340-L557 HydrophobicContact CD2-CD2 4.12Å; Y340-L557 HydrophobicContact CE1-CD1 3.37Å; Y340-L557 HydrophobicContact CE1-CD2 4.47Å; Y340-L557 HydrophobicContact CE2-CD1 4.05Å; Y340-L557 HydrophobicContact CG-CD1 4Å; Y340-L557 HydrophobicContact CG-CD2 3.61Å; Y340-L557 HydrophobicContact CG-CG 4.44Å; F530-L557 HydrophobicContact CB-CB 3.77Å; F530-L557 HydrophobicContact CD2-CB 3.91Å; F530-L557 WeakPolarHBondContact CD2-O 3.24Å; F530-L557 HydrophobicContact CG-CB 4.12Å; F530-L557 PolarHBondContact N-O 3.25Å; P555-L557 HydrophobicContact CB-CD1 4.29Å; P555-L557 HydrophobicContact CG-CD1 4.24Å
558	M	97	Very high	89.3	Confident	3 Å²	3	32.8 Å²	32.8	2%	0.015	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	150.6	-180	57.2	-173.6	74.8	0	0	111.5	L294 L498 V518 N528 I560	L294-M558 HydrophobicContact CB-CG 4.17Å; L294-M558 HydrophobicContact CD2-CG 4.35Å; L294-M558 HydrophobicContact CD2-SD 4.32Å; L294-M558 PolarHBondContact N-O 2.9Å; L294-M558 PolarHBondContact O-N 2.93Å; L294-M558 VanDerWaalsContact O-N 3.15Å; L498-M558 HydrophobicContact CB-SD 3.87Å; V518-M558 HydrophobicContact CB-CE 3.83Å; V518-M558 HydrophobicContact CB-SD 4.1Å; V518-M558 HydrophobicContact CG1-CE 4.38Å; V518-M558 HydrophobicContact CG1-SD 3.97Å; V518-M558 HydrophobicContact CG2-CE 3.67Å; V518-M558 HydrophobicContact CG2-SD 4.21Å; N528-M558 CarbonylContact O-C 3.58Å; N528-M558 VanDerWaalsContact O-CA 3.31Å; N528-M558 WeakPolarHBondContact O-CA 3.02Å; N528-M558 WeakPolarHBondContact O-CB 3.27Å; M558-I560 HydrophobicContact CB-CG2 4.44Å; M558-I560 HydrophobicContact CG-CG2 3.82Å; M558-I560 HydrophobicContact SD-CG2 3.86Å
559	D	96.9	Very high	86.6	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.011	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.8	167.8	-57.9	-40	0	0	0	107.7	L287 V291 R293 R527 N528 F530	L287-D559 HydrophobicContact CD2-CB 4.13Å; V291-D559 HydrophobicContact CG1-CB 3.85Å; R293-D559 WeakPolarHBondContact CB-OD1 3.34Å; R293-D559 IonicContact CZ-OD1 3.88Å; R293-D559 IonicContact NE-OD1 2.8Å; R293-D559 PolarHBondContact NE-OD1 3.22Å; R293-D559 IonicContact NH2-OD1 2.99Å; R293-D559 PolarHBondContact NH2-OD1 3.14Å; R293-D559 VanDerWaalsContact NH2-OD1 3.14Å; R293-D559 IonicContact NH2-OD2 2.8Å; R293-D559 PolarHBondContact NH2-OD2 3.25Å; R527-D559 HydrophobicContact CB-CB 4.35Å; R527-D559 PolarHBondContact N-O 3.18Å; N528-D559 HydrophobicContact CB-CB 3.98Å; N528-D559 PolarHBondContact N-O 3Å; N528-D559 PolarHBondContact ND2-OD2 3.01Å; N528-D559 PolarHBondContact O-N 2.89Å; F530-D559 WeakPolarHBondContact CE2-OD2 3.49Å
560	I	96.2	Very high	86.1	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	155.3	-177.1	59.5	169.7	0	0	0	111.2	I292 L294 L447 L498 F524 Q525 V526 M558	I292-I560 HydrophobicContact CB-CG1 4.07Å; I292-I560 HydrophobicContact CG2-CG1 4.43Å; I292-I560 PolarHBondContact N-O 3.46Å; I292-I560 WeakPolarHBondContact O-CG1 3.24Å; I292-I560 PolarHBondContact O-N 3.2Å; L294-I560 HydrophobicContact CB-CD1 4.17Å; L294-I560 HydrophobicContact CB-CG1 4.38Å; L294-I560 HydrophobicContact CD2-CD1 4.1Å; L447-I560 HydrophobicContact CD1-CD1 3.66Å; L447-I560 HydrophobicContact CD2-CD1 3.82Å; L447-I560 HydrophobicContact CG-CD1 4.41Å; L498-I560 HydrophobicContact CD1-CG2 3.95Å; F524-I560 HydrophobicContact CD1-CD1 4.08Å; F524-I560 HydrophobicContact CE1-CD1 4.21Å; Q525-I560 VanDerWaalsContact O-CA 3.28Å; Q525-I560 WeakPolarHBondContact O-CA 3.29Å; V526-I560 HydrophobicContact CG2-CG2 4.46Å; M558-I560 HydrophobicContact CB-CG2 4.44Å; M558-I560 HydrophobicContact CG-CG2 3.82Å; M558-I560 HydrophobicContact SD-CG2 3.86Å
561	E	93.8	Very high	85.5	Confident	19 Å²	19	46.9 Å²	46.9	9%	0.089	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	161.5	173.5	68.5	173.7	-169.5	0	0	111.2	V291 F524 Q525 R527	V291-E561 HydrophobicContact CG2-CB 4.47Å; F524-E561 CarbonylContact C-O 3.59Å; F524-E561 WeakPolarHBondContact CA-O 3.4Å; Q525-E561 HydrophobicContact CB-CG 4.12Å; Q525-E561 PolarHBondContact N-O 3.42Å; Q525-E561 PolarHBondContact O-N 3.19Å; R527-E561 HydrophobicContact CG-CB 4.44Å; R527-E561 HydrophobicContact CG-CG 4.03Å; R527-E561 IonicContact CZ-OE1 2.99Å; R527-E561 IonicContact CZ-OE2 3.11Å; R527-E561 IonicContact NE-OE1 3.78Å; R527-E561 PolarHBondContact NE-OE1 3.3Å; R527-E561 IonicContact NE-OE2 3.73Å; R527-E561 PolarHBondContact NE-OE2 3.46Å; R527-E561 IonicContact NH1-OE1 3.95Å; R527-E561 IonicContact NH2-OE1 2.71Å; R527-E561 PolarHBondContact NH2-OE1 3.06Å; R527-E561 IonicContact NH2-OE2 2.75Å; R527-E561 PolarHBondContact NH2-OE2 3.31Å
562	I	89.3	Confident	84.9	Confident	65 Å²	65	49.5 Å²	49.5	33%	0.333	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	116.5	171.8	-61.6	172.7	0	0	0	108.6	E523 F524 K564	E523-I562 HydrophobicContact CB-CG2 4.23Å; E523-I562 HydrophobicContact CG-CG2 4Å; F524-I562 HydrophobicContact CD1-CG1 3.75Å; F524-I562 HydrophobicContact CE1-CD1 3.83Å; F524-I562 HydrophobicContact CE1-CG1 3.37Å; F524-I562 HydrophobicContact CZ-CD1 3.98Å; F524-I562 HydrophobicContact CZ-CG1 3.91Å; I562-K564 PolarHBondContact O-N 3.08Å; I562-K564 VanDerWaalsContact O-N 3.09Å
563	D	86	Confident	84.1	Confident	36 Å²	36	51.7 Å²	51.7	19%	0.193	26%	0.264	C	S	.	.			trans	-73.4	99.9	169.1	-174.6	-3.3	0	0	0	110.3	E523 Q525 N565 V566	E523-D563 PolarHBondContact O-N 3.23Å; Q525-D563 HydrophobicContact CG-CB 4.38Å; Q525-D563 VanDerWaalsContact NE2-CB 3.29Å; Q525-D563 PolarHBondContact NE2-OD2 3.43Å; D563-N565 PolarHBondContact O-N 2.7Å; D563-N565 VanDerWaalsContact OD1-CB 3.27Å; D563-N565 WeakPolarHBondContact OD1-CB 3.25Å; D563-N565 PolarHBondContact OD1-N 2.99Å; D563-N565 PolarHBondContact OD1-ND2 3.01Å; D563-V566 HydrophobicContact CB-CG2 3.99Å; D563-V566 PolarHBondContact O-N 2.71Å
564	K	80.1	Confident	83.2	Confident	144 Å²	144	54.7 Å²	54.7	63%	0.626	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-15.4	179.2	-61.6	179.7	-176.4	171.8	0	113.5	I562	I562-K564 PolarHBondContact O-N 3.08Å; I562-K564 VanDerWaalsContact O-N 3.09Å
565	N	76	Confident	82.3	Confident	106 Å²	106	58.3 Å²	58.3	57%	0.567	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-30.3	176.1	-57.6	-56.1	0	0	0	112	D563 C567 K568	D563-N565 PolarHBondContact O-N 2.7Å; D563-N565 VanDerWaalsContact OD1-CB 3.27Å; D563-N565 WeakPolarHBondContact OD1-CB 3.25Å; D563-N565 PolarHBondContact OD1-N 2.99Å; D563-N565 PolarHBondContact OD1-ND2 3.01Å; N565-C567 VanDerWaalsContact C-N 3.28Å; N565-K568 PolarHBondContact O-N 2.66Å
566	V	68.5	Low	81.2	Confident	51 Å²	51	62.5 Å²	62.5	31%	0.309	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-66.7	-35.2	174.3	-179.3	0	0	0	0	110.2	E523 D563 K568 N569	E523-V566 HydrophobicContact CB-CB 3.93Å; E523-V566 HydrophobicContact CB-CG1 3.98Å; D563-V566 HydrophobicContact CB-CG2 3.99Å; D563-V566 PolarHBondContact O-N 2.71Å; V566-K568 PolarHBondContact O-N 2.75Å; V566-N569 PolarHBondContact O-N 3.06Å
567	C	60.8	Low	79.9	Confident	69 Å²	69	66.9 Å²	66.9	47%	0.466	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-70.2	-9.2	178.8	-52.3	0	0	0	0	115.2	N565	N565-C567 VanDerWaalsContact C-N 3.28Å
568	K	55.9	Low	78.5	Confident	169 Å²	169	72.3 Å²	72.3	74%	0.735	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-91.2	-12.6	-179.1	-74.3	-177.3	-179.1	174.9	0	113.9	N565 V566	N565-K568 PolarHBondContact O-N 2.66Å; V566-K568 PolarHBondContact O-N 2.75Å
569	N	40.9	Very low	76.8	Confident	204 Å²	204	78.6 Å²	78.6	100%	1.091	40%	0.402	S	S	*	.			trans	-107.4	0	174.2	-65.2	-28.8	0	0	0	109.6	V566	V566-N569 PolarHBondContact O-N 3.06Å

Retrieved 569 of 569 residues in 622.4 ms (Link to these results)

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