A0A5K4F9N4_SCHMA Loading...

1-phosphatidylinositol-5-phosphate 4-kinase

AlphaFold DB , UniProt , Accession A0A5K4F9N4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 500 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	47.7	Very low	45.9	Very low	244 Å²	244	166.6 Å²	166.6	100%	1.202	85%	0.849	S	S	*	*				0	124.8	0	-67.1	177.2	177.6	0	0	107.7
2	A	43.1	Very low	45.9	Very low	100 Å²	100	165 Å²	165	83%	0.826	84%	0.841	S	S	*	*			trans	-103.4	117.7	-179.7	0	0	0	0	0	110.1
3	T	46.9	Very low	45.4	Very low	141 Å²	141	166.1 Å²	166.1	87%	0.865	84%	0.844	S	S	*	*			trans	-90.4	103.1	-179.5	36	0	0	0	0	110.8	S5	T3-S5 PolarHBondContact O-N 2.88Å
4	V	47.5	Very low	45.1	Very low	127 Å²	127	168 Å²	168	77%	0.77	84%	0.844	S	S	*	*			trans	-80.3	106.1	175.8	-179.9	0	0	0	0	110	K6	V4-K6 PolarHBondContact O-N 3.39Å
5	S	46.4	Very low	44.4	Very low	95 Å²	95	166.8 Å²	166.8	66%	0.664	83%	0.834	S	S	*	*			trans	-72.4	117.2	170.9	-176.5	0	0	0	0	110.7	T3	T3-S5 PolarHBondContact O-N 2.88Å
6	K	45.4	Very low	44.2	Very low	191 Å²	191	168.9 Å²	168.9	83%	0.83	84%	0.837	S	S	*	*			trans	-90.3	99.6	173.6	-73.9	-175.6	177.5	178.2	0	110.4	V4 K8	V4-K6 PolarHBondContact O-N 3.39Å; K6-K8 PolarHBondContact O-N 3.43Å
7	H	47	Very low	44.5	Very low	179 Å²	179	165.6 Å²	165.6	83%	0.829	82%	0.822	S	S	*	*			trans	-66.8	101.5	168.2	-77.5	-60.2	0	0	0	111	K9	H7-K9 PolarHBondContact O-N 3.11Å
8	K	44.2	Very low	45.2	Very low	195 Å²	195	163.2 Å²	163.2	85%	0.848	81%	0.806	S	S	*	*			trans	-71.3	111.6	171.2	-163.6	175.2	-173.9	-180	0	108.4	K6 V10	K6-K8 PolarHBondContact O-N 3.43Å; K8-V10 PolarHBondContact O-N 3.2Å
9	K	45.8	Very low	46	Very low	207 Å²	207	160.2 Å²	160.2	90%	0.9	79%	0.793	S	S	*	*			trans	-62.4	96.8	172.6	-87.5	-175.7	175.4	177.3	0	109.6	H7 R11	H7-K9 PolarHBondContact O-N 3.11Å; K9-R11 PolarHBondContact O-N 3.49Å
10	V	48.1	Very low	47.2	Very low	117 Å²	117	153.1 Å²	153.1	71%	0.709	76%	0.757	S	S	*	*			trans	-71.1	112.4	167.8	179.2	0	0	0	0	107.5	K8 I12	K8-V10 PolarHBondContact O-N 3.2Å; V10-I12 HydrophobicContact CG1-CG1 4.45Å; V10-I12 PolarHBondContact O-N 3.02Å
11	R	42.4	Very low	48.5	Very low	237 Å²	237	153 Å²	153	89%	0.894	75%	0.748	S	S	*	*			trans	-71.5	97.5	168.8	-122.6	-176.1	178.8	-172.9	-0.5	107.1	K9 M13	K9-R11 PolarHBondContact O-N 3.49Å; R11-M13 PolarHBondContact O-N 3.23Å
12	I	46.9	Very low	49.8	Very low	147 Å²	147	142.1 Å²	142.1	75%	0.754	70%	0.697	S	S	*	*			trans	-67	100.2	171.6	-59.3	174.2	0	0	0	107	V10 K14	V10-I12 HydrophobicContact CG1-CG1 4.45Å; V10-I12 PolarHBondContact O-N 3.02Å; I12-K14 PolarHBondContact O-N 3.26Å; I12-K14 VanDerWaalsContact O-N 3.15Å
13	M	39.1	Very low	51.7	Low	179 Å²	179	142.6 Å²	142.6	88%	0.882	69%	0.686	S	S	*	*			trans	-66.1	109.7	167.8	-82.8	-177.7	153.4	0	0	107.9	R11 Q15	R11-M13 PolarHBondContact O-N 3.23Å; M13-Q15 PolarHBondContact O-N 2.82Å; M13-Q15 VanDerWaalsContact O-N 3.13Å
14	K	40.7	Very low	53.6	Low	193 Å²	193	138.7 Å²	138.7	84%	0.839	66%	0.658	S	S	*	*			trans	-62.2	115	166	-76.5	-174	175.1	-176.7	0	107.7	I12 K16	I12-K14 PolarHBondContact O-N 3.26Å; I12-K14 VanDerWaalsContact O-N 3.15Å; K14-K16 PolarHBondContact O-N 2.87Å; K14-K16 VanDerWaalsContact O-N 3.14Å
15	Q	34.8	Very low	55.7	Low	150 Å²	150	135.8 Å²	135.8	70%	0.701	64%	0.642	S	S	*	*			trans	-58.6	116.9	172.6	-173.3	172.4	2.9	0	0	108.6	M13 L17	M13-Q15 PolarHBondContact O-N 2.82Å; M13-Q15 VanDerWaalsContact O-N 3.13Å; Q15-L17 VanDerWaalsContact C-N 3.27Å; Q15-L17 PolarHBondContact O-N 3.04Å
16	K	40.6	Very low	57.9	Low	201 Å²	201	132.7 Å²	132.7	87%	0.874	62%	0.618	S	S	*	*			trans	-71.8	84.9	171.8	-74.8	-174.3	175.5	-177	0	108.4	K14	K14-K16 PolarHBondContact O-N 2.87Å; K14-K16 VanDerWaalsContact O-N 3.14Å
17	L	49.6	Very low	60.1	Low	113 Å²	113	123.9 Å²	123.9	59%	0.592	58%	0.579	S	S	*	*			trans	-59.1	141.1	161	-77.1	103.9	0	0	0	108.4	Q15 L19	Q15-L17 VanDerWaalsContact C-N 3.27Å; Q15-L17 PolarHBondContact O-N 3.04Å; L17-L19 PolarHBondContact O-N 2.96Å
18	K	57.4	Low	62.3	Low	121 Å²	121	115.5 Å²	115.5	53%	0.526	54%	0.541	S	S	.	.			trans	-60.1	108.5	165.1	-81.6	-166.6	171.8	-164.3	0	107.5	F20	K18-F20 HydrophobicContact CB-CE1 4.17Å; K18-F20 HydrophobicContact CB-CZ 4.04Å; K18-F20 PolarHBondContact O-N 3.22Å
19	L	59.9	Low	64.7	Low	107 Å²	107	106.2 Å²	106.2	56%	0.56	50%	0.5	S	S	*	.			trans	-84.7	100.1	-178.2	-76.4	148.8	0	0	0	108.1	L17 R21 N72	L17-L19 PolarHBondContact O-N 2.96Å; L19-R21 PolarHBondContact O-N 3Å; L19-N72 HydrophobicContact CD2-CB 4.21Å; L19-N72 WeakPolarHBondContact CD2-ND2 3.37Å
20	F	71.4	Confident	67	Low	17 Å²	17	96.3 Å²	96.3	8%	0.075	46%	0.457	C	S	.	.			trans	-72.3	68.3	172.3	-56.6	-55	0	0	0	110.4	K18 S28 M31 W32 N35 T106	K18-F20 HydrophobicContact CB-CE1 4.17Å; K18-F20 HydrophobicContact CB-CZ 4.04Å; K18-F20 PolarHBondContact O-N 3.22Å; F20-S28 VanDerWaalsContact O-CB 3.29Å; F20-S28 WeakPolarHBondContact O-CB 3.38Å; F20-S28 PolarHBondContact O-OG 3.49Å; F20-M31 HydrophobicContact CB-CB 3.99Å; F20-M31 HydrophobicContact CD1-CB 4.18Å; F20-M31 HydrophobicContact CD1-CE 4.39Å; F20-M31 HydrophobicContact CG-CB 4.22Å; F20-W32 HydrophobicContact CB-CB 4.39Å; F20-W32 HydrophobicContact CD2-CB 3.95Å; F20-W32 HydrophobicContact CD2-CG 4.35Å; F20-W32 HydrophobicContact CG-CB 4.47Å; F20-N35 HydrophobicContact CE1-CB 4.44Å; F20-N35 HydrophobicContact CE2-CB 3.7Å; F20-N35 HydrophobicContact CZ-CB 3.59Å; F20-N35 VanDerWaalsContact CZ-CG 3.43Å; F20-T106 HydrophobicContact CE1-CG2 4.05Å; F20-T106 HydrophobicContact CZ-CG2 4.48Å
21	R	72.8	Confident	69.2	Low	152 Å²	152	91 Å²	91	57%	0.574	43%	0.425	S	S	*	.			trans	-97.5	109.6	179.7	-176.7	-169.8	-179	82.6	8.4	108.8	L19 E71 N72	L19-R21 PolarHBondContact O-N 3Å; R21-E71 PolarHBondContact NH1-O 2.87Å; R21-N72 HydrophobicContact CB-CB 4.31Å; R21-N72 WeakPolarHBondContact CD-OD1 3.49Å; R21-N72 PolarHBondContact NH1-OD1 2.6Å
22	A	76.9	Confident	71.7	Confident	16 Å²	16	82.4 Å²	82.4	13%	0.132	39%	0.392	C	S	.	.			trans	-105.1	170.1	165.6	0	0	0	0	0	110.9	E24 K27 S28 M31 Q109	A22-E24 PolarHBondContact O-N 3.05Å; A22-K27 HydrophobicContact CB-CB 3.34Å; A22-K27 HydrophobicContact CB-CD 4.2Å; A22-K27 HydrophobicContact CB-CG 4.43Å; A22-S28 PolarHBondContact N-OG 3.09Å; A22-M31 HydrophobicContact CB-SD 4.25Å; A22-Q109 HydrophobicContact CB-CB 3.85Å
23	N	82.9	Confident	74	Confident	110 Å²	110	75.4 Å²	75.4	59%	0.588	36%	0.357	S	S	*	.	S	Bend	trans	-70.7	-15.5	173.4	72.5	-26	0	0	0	113.3	K27 Q109	N23-K27 WeakPolarHBondContact OD1-CD 3.41Å; N23-K27 PolarHBondContact OD1-NZ 3.36Å; N23-Q109 PolarHBondContact OD1-OE1 3.21Å
24	E	86.9	Confident	76.6	Confident	59 Å²	59	66.9 Å²	66.9	28%	0.276	32%	0.315	S	S	.	.	S	Bend	trans	-130	138.6	179.5	-73.6	167.3	-118.5	0	0	112.3	A22 L26 K27 S28 W112	A22-E24 PolarHBondContact O-N 3.05Å; E24-L26 VanDerWaalsContact C-N 3.27Å; E24-L26 PolarHBondContact O-N 2.86Å; E24-L26 VanDerWaalsContact O-N 3.16Å; E24-K27 HydrophobicContact CB-CD 4.19Å; E24-K27 HydrophobicContact CB-CG 4.41Å; E24-K27 PolarHBondContact O-N 2.94Å; E24-K27 VanDerWaalsContact O-N 3.13Å; E24-K27 IonicContact OE1-NZ 2.71Å; E24-K27 PolarHBondContact OE1-NZ 3.02Å; E24-S28 PolarHBondContact O-N 3.21Å; E24-W112 PolarHBondContact OE1-NE1 3.29Å; E24-W112 PolarHBondContact OE2-NE1 3.28Å
25	P	90.7	Very high	79.2	Confident	66 Å²	66	59.2 Å²	59.2	43%	0.429	28%	0.283	S	S	.	.	H	α-helix	trans	-47.4	-42.5	176.4	-34.8	39.5	0	0	0	115.4	S28 V29 P74 V175	P25-S28 PolarHBondContact O-N 2.73Å; P25-V29 WeakPolarHBondContact O-CG2 3.2Å; P25-V29 PolarHBondContact O-N 3.02Å; P25-V29 VanDerWaalsContact O-N 3.08Å; P25-P74 HydrophobicContact CB-CG 3.89Å; P25-V175 HydrophobicContact CB-CG1 3.65Å
26	L	91.7	Very high	81.9	Confident	30 Å²	30	55.1 Å²	55.1	16%	0.157	26%	0.261	C	S	.	.	H	α-helix	trans	-63.4	-43	-177.5	-170.5	71.8	0	0	0	111.8	E24 V29 L30 W112 L173 V175	E24-L26 VanDerWaalsContact C-N 3.27Å; E24-L26 PolarHBondContact O-N 2.86Å; E24-L26 VanDerWaalsContact O-N 3.16Å; L26-V29 PolarHBondContact O-N 3.29Å; L26-L30 PolarHBondContact O-N 3.12Å; L26-W112 HydrophobicContact CD2-CH2 4.17Å; L26-W112 HydrophobicContact CD2-CZ2 4.16Å; L26-L173 HydrophobicContact CD1-CB 3.89Å; L26-L173 HydrophobicContact CD1-CD1 3.6Å; L26-L173 HydrophobicContact CD1-CG 4.36Å; L26-L173 HydrophobicContact CG-CD1 3.98Å; L26-V175 HydrophobicContact CD1-CG2 4.31Å
27	K	92.8	Very high	84.5	Confident	5 Å²	5	45.6 Å²	45.6	2%	0.022	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-47.9	177.7	-68.2	171.2	179.3	154.5	0	110.7	A22 N23 E24 V29 L30 M31 P110 L124	A22-K27 HydrophobicContact CB-CB 3.34Å; A22-K27 HydrophobicContact CB-CD 4.2Å; A22-K27 HydrophobicContact CB-CG 4.43Å; N23-K27 WeakPolarHBondContact OD1-CD 3.41Å; N23-K27 PolarHBondContact OD1-NZ 3.36Å; E24-K27 HydrophobicContact CB-CD 4.19Å; E24-K27 HydrophobicContact CB-CG 4.41Å; E24-K27 PolarHBondContact O-N 2.94Å; E24-K27 VanDerWaalsContact O-N 3.13Å; E24-K27 IonicContact OE1-NZ 2.71Å; E24-K27 PolarHBondContact OE1-NZ 3.02Å; K27-V29 VanDerWaalsContact C-N 3.27Å; K27-V29 PolarHBondContact O-N 3.04Å; K27-L30 WeakPolarHBondContact O-CB 3.38Å; K27-L30 PolarHBondContact O-N 3.04Å; K27-L30 VanDerWaalsContact O-N 3.16Å; K27-M31 VanDerWaalsContact O-CG 3.23Å; K27-M31 WeakPolarHBondContact O-CG 3.48Å; K27-M31 PolarHBondContact O-N 3.48Å; K27-P110 WeakPolarHBondContact CD-O 3.25Å; K27-P110 VanDerWaalsContact CE-O 3.28Å; K27-P110 WeakPolarHBondContact CE-O 3.46Å; K27-P110 HydrophobicContact CG-CG 4.37Å; K27-L124 HydrophobicContact CD-CD2 4.36Å; K27-L124 HydrophobicContact CG-CD1 4.37Å; K27-L124 HydrophobicContact CG-CD2 4.12Å
28	S	92.2	Very high	86.5	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-55.7	-42.7	176.6	-61.7	0	0	0	0	112	F20 A22 E24 P25 W32 N72	F20-S28 VanDerWaalsContact O-CB 3.29Å; F20-S28 WeakPolarHBondContact O-CB 3.38Å; F20-S28 PolarHBondContact O-OG 3.49Å; A22-S28 PolarHBondContact N-OG 3.09Å; E24-S28 PolarHBondContact O-N 3.21Å; P25-S28 PolarHBondContact O-N 2.73Å; S28-W32 VanDerWaalsContact O-CB 3.27Å; S28-W32 WeakPolarHBondContact O-CB 3.35Å; S28-W32 PolarHBondContact O-N 3.25Å; S28-N72 PolarHBondContact OG-O 2.87Å
29	V	94.2	Very high	88	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-70.1	-36.5	178.6	173.5	0	0	0	0	112.5	P25 L26 K27 G33 M73 P74 F77 L173 V175	P25-V29 WeakPolarHBondContact O-CG2 3.2Å; P25-V29 PolarHBondContact O-N 3.02Å; P25-V29 VanDerWaalsContact O-N 3.08Å; L26-V29 PolarHBondContact O-N 3.29Å; K27-V29 VanDerWaalsContact C-N 3.27Å; K27-V29 PolarHBondContact O-N 3.04Å; V29-G33 PolarHBondContact O-N 3.18Å; V29-M73 HydrophobicContact CG2-CE 3.93Å; V29-P74 HydrophobicContact CG2-CG 3.83Å; V29-F77 HydrophobicContact CB-CD2 4.37Å; V29-F77 HydrophobicContact CG1-CB 4.3Å; V29-F77 HydrophobicContact CG1-CD2 3.64Å; V29-F77 HydrophobicContact CG1-CE2 4.26Å; V29-F77 HydrophobicContact CG1-CG 4.19Å; V29-F77 HydrophobicContact CG2-CB 3.87Å; V29-F77 HydrophobicContact CG2-CD1 4.06Å; V29-F77 HydrophobicContact CG2-CD2 3.83Å; V29-F77 HydrophobicContact CG2-CE2 4.37Å; V29-F77 HydrophobicContact CG2-CG 3.66Å; V29-L173 HydrophobicContact CG1-CB 4.49Å; V29-L173 HydrophobicContact CG1-CD2 4.35Å; V29-V175 HydrophobicContact CB-CG2 4.03Å; V29-V175 HydrophobicContact CG1-CG2 4.13Å; V29-V175 HydrophobicContact CG2-CG2 3.88Å
30	L	95.3	Very high	89.4	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-50.4	172.1	-178.7	61.5	0	0	0	111.6	L26 K27 G33 I34 F105 L124 Y171 L173 I182	L26-L30 PolarHBondContact O-N 3.12Å; K27-L30 WeakPolarHBondContact O-CB 3.38Å; K27-L30 PolarHBondContact O-N 3.04Å; K27-L30 VanDerWaalsContact O-N 3.16Å; L30-G33 PolarHBondContact O-N 3.42Å; L30-I34 HydrophobicContact CD1-CD1 3.79Å; L30-I34 HydrophobicContact CD1-CG1 4.24Å; L30-I34 HydrophobicContact CG-CD1 4.05Å; L30-I34 WeakPolarHBondContact O-CG1 3.46Å; L30-I34 PolarHBondContact O-N 3.03Å; L30-F105 HydrophobicContact CD2-CE1 4.44Å; L30-L124 HydrophobicContact CD2-CD1 3.88Å; L30-Y171 HydrophobicContact CD1-CD2 4.25Å; L30-L173 HydrophobicContact CB-CD1 3.9Å; L30-L173 HydrophobicContact CD1-CD1 4.26Å; L30-L173 HydrophobicContact CD1-CD2 4.4Å; L30-I182 HydrophobicContact CD1-CG2 4.31Å; L30-I182 HydrophobicContact CD2-CG2 4.41Å
31	M	94.6	Very high	90.1	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.03	17%	0.174	C	C	.	.	H	α-helix	trans	-60.3	-48	179.4	-62.1	174.3	76.9	0	0	111.5	F20 A22 K27 G33 N35 F105 Q109	F20-M31 HydrophobicContact CB-CB 3.99Å; F20-M31 HydrophobicContact CD1-CB 4.18Å; F20-M31 HydrophobicContact CD1-CE 4.39Å; F20-M31 HydrophobicContact CG-CB 4.22Å; A22-M31 HydrophobicContact CB-SD 4.25Å; K27-M31 VanDerWaalsContact O-CG 3.23Å; K27-M31 WeakPolarHBondContact O-CG 3.48Å; K27-M31 PolarHBondContact O-N 3.48Å; M31-G33 VanDerWaalsContact C-N 3.35Å; M31-G33 PolarHBondContact O-N 3.2Å; M31-N35 WeakPolarHBondContact O-CB 3.43Å; M31-N35 PolarHBondContact O-N 3.39Å; M31-N35 VanDerWaalsContact O-N 3.11Å; M31-F105 WeakPolarHBondContact CE-O 3.19Å; M31-F105 VanDerWaalsContact CG-O 3.3Å; M31-F105 WeakPolarHBondContact CG-O 3.21Å; M31-Q109 HydrophobicContact SD-CB 4.03Å
32	W	93.7	Very high	90.5	Very high	56 Å²	56	31.1 Å²	31.1	21%	0.212	17%	0.17	C	C	.	.	H	α-helix	trans	-62.3	-41.6	176.8	178.9	96.1	0	0	0	111.9	F20 S28 N35 Y36 V61 V63 M73 F77 F79	F20-W32 HydrophobicContact CB-CB 4.39Å; F20-W32 HydrophobicContact CD2-CB 3.95Å; F20-W32 HydrophobicContact CD2-CG 4.35Å; F20-W32 HydrophobicContact CG-CB 4.47Å; S28-W32 VanDerWaalsContact O-CB 3.27Å; S28-W32 WeakPolarHBondContact O-CB 3.35Å; S28-W32 PolarHBondContact O-N 3.25Å; W32-N35 PolarHBondContact O-N 3.03Å; W32-Y36 AromaticContact CH2-CD2 3.94Å; W32-Y36 HydrophobicContact CH2-CD2 3.94Å; W32-Y36 AromaticContact CH2-CG 3.94Å; W32-Y36 HydrophobicContact CH2-CG 3.94Å; W32-Y36 HydrophobicContact CZ2-CD2 4.26Å; W32-Y36 HydrophobicContact CZ3-CG 4.18Å; W32-Y36 WeakPolarHBondContact O-CB 3.43Å; W32-Y36 PolarHBondContact O-N 2.88Å; W32-V61 HydrophobicContact CH2-CG1 3.85Å; W32-V61 HydrophobicContact CH2-CG2 4.17Å; W32-V61 HydrophobicContact CZ3-CG1 3.69Å; W32-V63 HydrophobicContact CH2-CG2 3.57Å; W32-V63 HydrophobicContact CZ2-CG2 3.9Å; W32-V63 HydrophobicContact CZ3-CG2 4.18Å; W32-M73 HydrophobicContact CB-CE 3.55Å; W32-M73 HydrophobicContact CB-SD 4.11Å; W32-M73 HydrophobicContact CD2-CE 4.25Å; W32-M73 HydrophobicContact CG-CE 3.63Å; W32-M73 HydrophobicContact CG-SD 4.43Å; W32-F77 AromaticContact CD2-CE2 3.99Å; W32-F77 HydrophobicContact CD2-CE2 3.99Å; W32-F77 AromaticContact CD2-CZ 3.97Å; W32-F77 HydrophobicContact CD2-CZ 3.97Å; W32-F77 AromaticContact CE3-CE2 3.52Å; W32-F77 HydrophobicContact CE3-CE2 3.52Å; W32-F77 AromaticContact CE3-CZ 4Å; W32-F77 HydrophobicContact CE3-CZ 4Å; W32-F77 HydrophobicContact CH2-CE2 4.24Å; W32-F77 HydrophobicContact CZ2-CZ 4.46Å; W32-F77 AromaticContact CZ3-CE2 3.68Å; W32-F77 HydrophobicContact CZ3-CE2 3.68Å; W32-F77 HydrophobicContact CZ3-CZ 4.29Å; W32-F79 HydrophobicContact CZ3-CB 4.41Å
33	G	95.2	Very high	90.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-69.3	-43.7	-177	0	0	0	0	0	113.3	V29 L30 M31 N35 Y36 S37 F79	V29-G33 PolarHBondContact O-N 3.18Å; L30-G33 PolarHBondContact O-N 3.42Å; M31-G33 VanDerWaalsContact C-N 3.35Å; M31-G33 PolarHBondContact O-N 3.2Å; G33-N35 VanDerWaalsContact C-N 3.31Å; G33-N35 PolarHBondContact O-N 3.18Å; G33-Y36 PolarHBondContact O-N 2.83Å; G33-S37 WeakPolarHBondContact O-CB 3.21Å; G33-S37 PolarHBondContact O-N 3.25Å; G33-F79 WeakPolarHBondContact O-CE1 3.29Å; G33-F79 WeakPolarHBondContact O-CZ 3.13Å
34	I	95.1	Very high	90.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-61.2	-42.4	172.1	-69.7	172.4	0	0	0	110.2	L30 S37 F38 Y101 F105 Y171	L30-I34 HydrophobicContact CD1-CD1 3.79Å; L30-I34 HydrophobicContact CD1-CG1 4.24Å; L30-I34 HydrophobicContact CG-CD1 4.05Å; L30-I34 WeakPolarHBondContact O-CG1 3.46Å; L30-I34 PolarHBondContact O-N 3.03Å; I34-S37 PolarHBondContact O-N 3.02Å; I34-F38 HydrophobicContact CG2-CD2 4.17Å; I34-F38 HydrophobicContact CG2-CE2 4.25Å; I34-F38 WeakPolarHBondContact O-CB 3.42Å; I34-F38 VanDerWaalsContact O-CD2 3.29Å; I34-F38 WeakPolarHBondContact O-CD2 3.36Å; I34-F38 PolarHBondContact O-N 2.8Å; I34-Y101 HydrophobicContact CG2-CE1 4.22Å; I34-F105 HydrophobicContact CD1-CB 3.9Å; I34-F105 HydrophobicContact CD1-CD1 3.64Å; I34-F105 HydrophobicContact CD1-CD2 3.92Å; I34-F105 HydrophobicContact CD1-CE1 4.14Å; I34-F105 HydrophobicContact CD1-CE2 4.4Å; I34-F105 HydrophobicContact CD1-CG 3.53Å; I34-F105 HydrophobicContact CG2-CB 4.28Å; I34-Y171 HydrophobicContact CD1-CE2 4.32Å; I34-Y171 HydrophobicContact CG1-CE1 4.41Å; I34-Y171 HydrophobicContact CG1-CE2 4.3Å
35	N	94.2	Very high	90.2	Very high	32 Å²	32	41.2 Å²	41.2	17%	0.171	21%	0.211	C	C	.	.	H	α-helix	trans	-61.4	-47.7	174.7	178.2	84.1	0	0	0	112.4	F20 M31 W32 G33 F38 S39 W102 T106	F20-N35 HydrophobicContact CE1-CB 4.44Å; F20-N35 HydrophobicContact CE2-CB 3.7Å; F20-N35 HydrophobicContact CZ-CB 3.59Å; F20-N35 VanDerWaalsContact CZ-CG 3.43Å; M31-N35 WeakPolarHBondContact O-CB 3.43Å; M31-N35 PolarHBondContact O-N 3.39Å; M31-N35 VanDerWaalsContact O-N 3.11Å; W32-N35 PolarHBondContact O-N 3.03Å; G33-N35 VanDerWaalsContact C-N 3.31Å; G33-N35 PolarHBondContact O-N 3.18Å; N35-F38 PolarHBondContact O-N 2.99Å; N35-S39 PolarHBondContact O-N 3.42Å; N35-S39 PolarHBondContact O-OG 3.2Å; N35-W102 WeakPolarHBondContact OD1-CZ2 3.25Å; N35-W102 PolarHBondContact OD1-NE1 3.34Å; N35-T106 HydrophobicContact CB-CG2 4.06Å
36	Y	92.8	Very high	89.4	Confident	64 Å²	64	44.1 Å²	44.1	25%	0.251	22%	0.219	S	C	.	.	H	α-helix	trans	-59.3	-46.6	177.4	172.1	-91.5	0	0	0	111.7	W32 G33 F38 S39 A40 M59 V61	W32-Y36 AromaticContact CH2-CD2 3.94Å; W32-Y36 HydrophobicContact CH2-CD2 3.94Å; W32-Y36 AromaticContact CH2-CG 3.94Å; W32-Y36 HydrophobicContact CH2-CG 3.94Å; W32-Y36 HydrophobicContact CZ2-CD2 4.26Å; W32-Y36 HydrophobicContact CZ3-CG 4.18Å; W32-Y36 WeakPolarHBondContact O-CB 3.43Å; W32-Y36 PolarHBondContact O-N 2.88Å; G33-Y36 PolarHBondContact O-N 2.83Å; Y36-F38 PolarHBondContact O-N 3.31Å; Y36-S39 WeakPolarHBondContact O-CB 3.35Å; Y36-S39 PolarHBondContact O-N 3.1Å; Y36-A40 PolarHBondContact O-N 3.42Å; Y36-M59 HydrophobicContact CE1-CG 4.36Å; Y36-M59 HydrophobicContact CE1-SD 4.1Å; Y36-V61 HydrophobicContact CD1-CG1 3.95Å; Y36-V61 HydrophobicContact CE1-CB 3.95Å; Y36-V61 HydrophobicContact CE1-CG1 3.82Å; Y36-V61 HydrophobicContact CE1-CG2 4.42Å; Y36-V61 HydrophobicContact CE2-CG2 4.4Å
37	S	93.9	Very high	88.9	Confident	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-54.4	-51.3	175	155.8	0	0	0	0	111.4	G33 I34 S39 A40 L41 E81	G33-S37 WeakPolarHBondContact O-CB 3.21Å; G33-S37 PolarHBondContact O-N 3.25Å; I34-S37 PolarHBondContact O-N 3.02Å; S37-S39 VanDerWaalsContact C-N 3.28Å; S37-S39 PolarHBondContact O-N 3.24Å; S37-A40 PolarHBondContact O-N 3.37Å; S37-A40 VanDerWaalsContact O-N 3.16Å; S37-L41 WeakPolarHBondContact O-CB 3.36Å; S37-L41 WeakPolarHBondContact O-CG 3.3Å; S37-L41 PolarHBondContact O-N 2.61Å; S37-E81 VanDerWaalsContact CB-OE2 3.26Å; S37-E81 WeakPolarHBondContact CB-OE2 3.46Å; S37-E81 PolarHBondContact OG-OE2 3.35Å
38	F	91.4	Very high	88.3	Confident	10 Å²	10	53.2 Å²	53.2	4%	0.044	27%	0.274	C	S	.	.	H	α-helix	trans	-66.9	-29.2	-178.4	-86.5	-122.5	0	0	0	112.4	I34 N35 Y36 N42 K98 Y101 W102	I34-F38 HydrophobicContact CG2-CD2 4.17Å; I34-F38 HydrophobicContact CG2-CE2 4.25Å; I34-F38 WeakPolarHBondContact O-CB 3.42Å; I34-F38 VanDerWaalsContact O-CD2 3.29Å; I34-F38 WeakPolarHBondContact O-CD2 3.36Å; I34-F38 PolarHBondContact O-N 2.8Å; N35-F38 PolarHBondContact O-N 2.99Å; Y36-F38 PolarHBondContact O-N 3.31Å; F38-N42 PolarHBondContact O-ND2 3Å; F38-N42 PolarHBondContact O-OD1 3.32Å; F38-K98 HydrophobicContact CD1-CG 3.75Å; F38-K98 HydrophobicContact CE1-CB 4.46Å; F38-K98 HydrophobicContact CE1-CG 3.6Å; F38-K98 WeakPolarHBondContact CE1-O 3Å; F38-Y101 HydrophobicContact CE1-CD1 4.12Å; F38-Y101 AromaticContact CE2-CD1 3.84Å; F38-Y101 HydrophobicContact CE2-CD1 3.84Å; F38-Y101 AromaticContact CE2-CE1 3.89Å; F38-Y101 HydrophobicContact CE2-CE1 3.89Å; F38-Y101 AromaticContact CZ-CD1 3.32Å; F38-Y101 HydrophobicContact CZ-CD1 3.32Å; F38-Y101 AromaticContact CZ-CE1 3.82Å; F38-Y101 HydrophobicContact CZ-CE1 3.82Å; F38-Y101 HydrophobicContact CZ-CG 4.25Å; F38-W102 HydrophobicContact CD1-CB 3.8Å; F38-W102 HydrophobicContact CD1-CG 4.26Å; F38-W102 HydrophobicContact CE1-CB 4.03Å; F38-W102 HydrophobicContact CG-CB 4.48Å; F38-W102 AromaticContact CG-CD1 4Å
39	S	89.2	Confident	88.1	Confident	57 Å²	57	59.7 Å²	59.7	40%	0.399	31%	0.307	S	S	.	.	H	α-helix	trans	-67.6	-50.1	169.2	-63.7	0	0	0	0	111.7	N35 Y36 S37 L41 N42 H43	N35-S39 PolarHBondContact O-N 3.42Å; N35-S39 PolarHBondContact O-OG 3.2Å; Y36-S39 WeakPolarHBondContact O-CB 3.35Å; Y36-S39 PolarHBondContact O-N 3.1Å; S37-S39 VanDerWaalsContact C-N 3.28Å; S37-S39 PolarHBondContact O-N 3.24Å; S39-L41 PolarHBondContact O-N 3.08Å; S39-N42 PolarHBondContact O-N 3.39Å; S39-H43 PolarHBondContact O-CD2 2.9Å; S39-H43 VanDerWaalsContact O-CD2 3.28Å
40	A	88.8	Confident	88	Confident	31 Å²	31	61.5 Å²	61.5	26%	0.256	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-46	-178.5	0	0	0	0	0	112.5	Y36 S37 N42 H43 M59	Y36-A40 PolarHBondContact O-N 3.42Å; S37-A40 PolarHBondContact O-N 3.37Å; S37-A40 VanDerWaalsContact O-N 3.16Å; A40-N42 PolarHBondContact O-N 3.06Å; A40-H43 PolarHBondContact O-N 3.11Å; A40-M59 HydrophobicContact CB-SD 3.69Å
41	L	86.1	Confident	87.9	Confident	19 Å²	19	65.7 Å²	65.7	10%	0.099	34%	0.339	C	S	.	.	H	α-helix	trans	-67	-18.5	-177.9	-66.2	174.8	0	0	0	113.9	S37 S39 H43 V44 M59 P84 M85	S37-L41 WeakPolarHBondContact O-CB 3.36Å; S37-L41 WeakPolarHBondContact O-CG 3.3Å; S37-L41 PolarHBondContact O-N 2.61Å; S39-L41 PolarHBondContact O-N 3.08Å; L41-H43 PolarHBondContact O-N 3.37Å; L41-V44 HydrophobicContact CD2-CG2 4.33Å; L41-V44 PolarHBondContact O-N 3.48Å; L41-M59 HydrophobicContact CG-CE 4.29Å; L41-P84 HydrophobicContact CD1-CB 4.09Å; L41-P84 HydrophobicContact CD2-CB 4.01Å; L41-M85 HydrophobicContact CD2-SD 4.18Å
42	N	81.7	Confident	87.8	Confident	90 Å²	90	72 Å²	72	48%	0.481	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-21.4	175.2	-67.3	-27	0	0	0	113.5	F38 S39 A40 K98	F38-N42 PolarHBondContact O-ND2 3Å; F38-N42 PolarHBondContact O-OD1 3.32Å; S39-N42 PolarHBondContact O-N 3.39Å; A40-N42 PolarHBondContact O-N 3.06Å; N42-K98 VanDerWaalsContact CG-NZ 3.3Å; N42-K98 PolarHBondContact ND2-NZ 3.14Å; N42-K98 VanDerWaalsContact OD1-CE 3.25Å; N42-K98 WeakPolarHBondContact OD1-CE 3.43Å; N42-K98 PolarHBondContact OD1-NZ 3.1Å
43	H	80	Confident	87.9	Confident	158 Å²	158	73.4 Å²	73.4	73%	0.731	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-7.2	177.7	-56.2	-65.7	0	0	0	112.3	S39 A40 L41	S39-H43 PolarHBondContact O-CD2 2.9Å; S39-H43 VanDerWaalsContact O-CD2 3.28Å; A40-H43 PolarHBondContact O-N 3.11Å; L41-H43 PolarHBondContact O-N 3.37Å
44	V	81.6	Confident	87.9	Confident	51 Å²	51	74 Å²	74	31%	0.309	38%	0.381	S	S	.	.	S	Bend	trans	-84.7	119.9	178.1	-177.7	0	0	0	0	109.6	L41 Q46 M85 I396	L41-V44 HydrophobicContact CD2-CG2 4.33Å; L41-V44 PolarHBondContact O-N 3.48Å; V44-Q46 PolarHBondContact O-N 3.14Å; V44-M85 HydrophobicContact CG1-CE 4.2Å; V44-M85 HydrophobicContact CG1-SD 3.97Å; V44-I396 HydrophobicContact CG2-CG2 4.49Å
45	K	78.2	Confident	88	Confident	187 Å²	187	75.2 Å²	75.2	81%	0.813	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-62.9	119	177.5	-171.8	176.6	-177	178.5	0	110.3	R47	K45-R47 PolarHBondContact O-N 3.16Å
46	Q	74	Confident	88.1	Confident	127 Å²	127	80.8 Å²	80.8	59%	0.593	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-63.2	122.3	179.6	-174.5	157.1	-17.5	0	0	110.7	V44	V44-Q46 PolarHBondContact O-N 3.14Å
47	R	82.4	Confident	88.2	Confident	119 Å²	119	78.2 Å²	78.2	45%	0.449	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-90.8	151.7	173.4	-61.4	-172.6	-61	-140.2	-6.9	109.9	K45 D54	K45-R47 PolarHBondContact O-N 3.16Å; R47-D54 IonicContact CZ-OD1 3.85Å; R47-D54 IonicContact CZ-OD2 2.67Å; R47-D54 IonicContact NH2-OD1 3.43Å; R47-D54 PolarHBondContact NH2-OD1 2.9Å; R47-D54 IonicContact NH2-OD2 3.02Å; R47-D54 PolarHBondContact NH2-OD2 3.32Å
48	A	80.1	Confident	88.3	Confident	107 Å²	107	80 Å²	80	88%	0.884	41%	0.407	S	S	*	.	S	Bend	trans	-74.1	-25.9	179.9	0	0	0	0	0	113.6
49	L	87.5	Confident	88.5	Confident	140 Å²	140	80.4 Å²	80.4	73%	0.733	41%	0.41	S	S	*	.	S	Bend	trans	-129.9	149.1	178.9	-62.6	175	0	0	0	109.7
50	L	92.3	Very high	88.8	Confident	38 Å²	38	82.1 Å²	82.1	20%	0.199	41%	0.41	C	S	.	.			trans	-79.6	145.7	167.2	-61.5	177.7	0	0	0	109.5	D54 F55 M85 V86 Y152	L50-D54 WeakPolarHBondContact CA-OD2 3.32Å; L50-D54 HydrophobicContact CD2-CB 4.42Å; L50-F55 HydrophobicContact CB-CE2 4.17Å; L50-F55 HydrophobicContact CD1-CE2 4.32Å; L50-F55 HydrophobicContact CD1-CZ 4.06Å; L50-M85 HydrophobicContact CD2-CB 4.05Å; L50-V86 HydrophobicContact CD1-CB 4.31Å; L50-V86 HydrophobicContact CD1-CG1 4.24Å; L50-V86 HydrophobicContact CD1-CG2 4.16Å; L50-Y152 HydrophobicContact CD1-CD1 4.3Å; L50-Y152 HydrophobicContact CD1-CD2 4.06Å; L50-Y152 HydrophobicContact CD1-CE1 3.81Å; L50-Y152 HydrophobicContact CD1-CE2 3.55Å; L50-Y152 HydrophobicContact CD1-CG 4.42Å; L50-Y152 VanDerWaalsContact CD1-CZ 3.4Å
51	L	93.1	Very high	89.1	Confident	87 Å²	87	81.5 Å²	81.5	46%	0.455	40%	0.403	S	S	.	.			trans	-97	159.2	171.5	-57.3	-179.2	0	0	0	109.6	D53 D54 F55	L51-D53 PolarHBondContact O-N 3.27Å; L51-D54 PolarHBondContact N-OD2 2.75Å; L51-D54 VanDerWaalsContact O-CB 3.32Å; L51-D54 WeakPolarHBondContact O-CB 3.22Å; L51-D54 PolarHBondContact O-N 3.23Å; L51-F55 WeakPolarHBondContact O-CD2 3.5Å
52	K	93.1	Very high	89.5	Confident	139 Å²	139	86.4 Å²	86.4	60%	0.604	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	-56.6	-33.2	175.4	-73.6	-173.5	169.1	-76.6	0	112.4	D54 F55 E149	K52-D54 PolarHBondContact O-N 3.11Å; K52-F55 WeakPolarHBondContact O-CB 3.13Å; K52-F55 PolarHBondContact O-N 2.9Å; K52-E149 IonicContact NZ-OE1 3.41Å; K52-E149 PolarHBondContact NZ-OE1 3.12Å; K52-E149 IonicContact NZ-OE2 3.78Å; K52-E149 PolarHBondContact NZ-OE2 2.85Å
53	D	94.6	Very high	89.9	Confident	85 Å²	85	83.2 Å²	83.2	46%	0.455	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-62.9	-26.6	176.5	-60.3	-24.6	0	0	0	113	L51 F55 K56 A57 I394	L51-D53 PolarHBondContact O-N 3.27Å; D53-F55 PolarHBondContact O-N 2.83Å; D53-K56 CarbonylContact O-C 3.56Å; D53-K56 PolarHBondContact O-N 2.8Å; D53-A57 WeakPolarHBondContact O-CB 3.02Å; D53-A57 PolarHBondContact O-N 2.87Å; D53-I394 HydrophobicContact CB-CD1 3.81Å
54	D	95.8	Very high	90.2	Very high	13 Å²	13	79.9 Å²	79.9	7%	0.07	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-65.8	-24.8	178.6	-64.3	-31.1	0	0	0	112.3	R47 L50 L51 K52 K56 C83 M85 V86	R47-D54 IonicContact CZ-OD1 3.85Å; R47-D54 IonicContact CZ-OD2 2.67Å; R47-D54 IonicContact NH2-OD1 3.43Å; R47-D54 PolarHBondContact NH2-OD1 2.9Å; R47-D54 IonicContact NH2-OD2 3.02Å; R47-D54 PolarHBondContact NH2-OD2 3.32Å; L50-D54 WeakPolarHBondContact CA-OD2 3.32Å; L50-D54 HydrophobicContact CD2-CB 4.42Å; L51-D54 PolarHBondContact N-OD2 2.75Å; L51-D54 VanDerWaalsContact O-CB 3.32Å; L51-D54 WeakPolarHBondContact O-CB 3.22Å; L51-D54 PolarHBondContact O-N 3.23Å; K52-D54 PolarHBondContact O-N 3.11Å; D54-K56 VanDerWaalsContact C-N 3.28Å; D54-C83 WeakPolarHBondContact O-CA 3.49Å; D54-M85 HydrophobicContact CB-CB 4.38Å; D54-V86 HydrophobicContact CB-CG2 4.02Å; D54-V86 WeakPolarHBondContact O-CG2 3.35Å
55	F	97	Very high	90.1	Very high	25 Å²	25	78.9 Å²	78.9	11%	0.11	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-80.5	-6.6	175.5	-64	-93.1	0	0	0	113.3	L50 L51 K52 D53 C83 V86 L148 E149 Y152	L50-F55 HydrophobicContact CB-CE2 4.17Å; L50-F55 HydrophobicContact CD1-CE2 4.32Å; L50-F55 HydrophobicContact CD1-CZ 4.06Å; L51-F55 WeakPolarHBondContact O-CD2 3.5Å; K52-F55 WeakPolarHBondContact O-CB 3.13Å; K52-F55 PolarHBondContact O-N 2.9Å; D53-F55 PolarHBondContact O-N 2.83Å; F55-C83 VanDerWaalsContact C-SG 3.54Å; F55-C83 PolarHBondContact O-SG 2.63Å; F55-V86 HydrophobicContact CD1-CG1 4.11Å; F55-V86 HydrophobicContact CD1-CG2 3.87Å; F55-V86 HydrophobicContact CD2-CG2 4.24Å; F55-V86 HydrophobicContact CE1-CB 4.44Å; F55-V86 HydrophobicContact CE1-CG1 3.59Å; F55-V86 HydrophobicContact CE1-CG2 3.92Å; F55-V86 HydrophobicContact CE2-CG2 4.31Å; F55-V86 HydrophobicContact CG-CG2 4.02Å; F55-V86 HydrophobicContact CZ-CG1 4.12Å; F55-V86 HydrophobicContact CZ-CG2 4.15Å; F55-L148 HydrophobicContact CD1-CB 4.29Å; F55-L148 HydrophobicContact CD1-CD2 3.99Å; F55-L148 HydrophobicContact CD1-CG 3.8Å; F55-L148 HydrophobicContact CE1-CG 4.15Å; F55-E149 HydrophobicContact CD1-CB 4.05Å; F55-E149 HydrophobicContact CE1-CB 4.17Å; F55-E149 HydrophobicContact CE1-CG 4.41Å; F55-E149 HydrophobicContact CG-CB 4.46Å; F55-E149 HydrophobicContact CZ-CG 4.4Å; F55-Y152 HydrophobicContact CE1-CD1 4.48Å; F55-Y152 HydrophobicContact CE1-CG 4.21Å; F55-Y152 AromaticContact CZ-CD1 3.85Å; F55-Y152 HydrophobicContact CZ-CD1 3.85Å; F55-Y152 AromaticContact CZ-CG 3.99Å; F55-Y152 HydrophobicContact CZ-CG 3.99Å
56	K	96	Very high	89.8	Confident	150 Å²	150	78 Å²	78	65%	0.652	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.1	-19.6	173.8	-61	-176.3	178.1	-176	0	113.1	D53 D54	D53-K56 CarbonylContact O-C 3.56Å; D53-K56 PolarHBondContact O-N 2.8Å; D54-K56 VanDerWaalsContact C-N 3.28Å
57	A	96	Very high	89.2	Confident	9 Å²	9	78.8 Å²	78.8	7%	0.074	39%	0.39	C	S	.	.			trans	-61	148.7	-179.6	0	0	0	0	0	112.3	D53 C83	D53-A57 WeakPolarHBondContact O-CB 3.02Å; D53-A57 PolarHBondContact O-N 2.87Å; A57-C83 WeakPolarHBondContact O-CA 3.48Å; A57-C83 PolarHBondContact O-N 2.7Å
58	Y	96.3	Very high	88.3	Confident	37 Å²	37	79.5 Å²	79.5	15%	0.145	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	164.5	171.7	61.7	-112.3	0	0	0	111.5	K60 K80 E81 E391	Y58-K60 HydrophobicContact CD2-CB 4.08Å; Y58-K60 HydrophobicContact CE2-CB 4.19Å; Y58-K80 HydrophobicContact CG-CD 4.45Å; Y58-K80 VanDerWaalsContact CG-CE 3.4Å; Y58-E81 WeakPolarHBondContact CA-O 3.38Å; Y58-E81 WeakPolarHBondContact CB-O 3.4Å; Y58-E391 HydrophobicContact CE1-CB 4.42Å
59	M	95.5	Very high	87.6	Confident	20 Å²	20	77 Å²	77	10%	0.099	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.6	169.4	172.5	170.5	48.8	0	0	107.8	Y36 A40 L41 K80 E81	Y36-M59 HydrophobicContact CE1-CG 4.36Å; Y36-M59 HydrophobicContact CE1-SD 4.1Å; A40-M59 HydrophobicContact CB-SD 3.69Å; L41-M59 HydrophobicContact CG-CE 4.29Å; M59-K80 CarbonylContact O-C 3.56Å; M59-K80 WeakPolarHBondContact O-CA 3.4Å; M59-E81 HydrophobicContact CE-CB 4.31Å; M59-E81 WeakPolarHBondContact CE-OE2 3.1Å; M59-E81 PolarHBondContact N-O 3.27Å; M59-E81 PolarHBondContact O-N 2.67Å
60	K	95.7	Very high	86.6	Confident	92 Å²	92	75.6 Å²	75.6	40%	0.4	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	129	-175.4	179.1	-176.8	176.4	-174.3	0	109.3	Y58 F79 K80	Y58-K60 HydrophobicContact CD2-CB 4.08Å; Y58-K60 HydrophobicContact CE2-CB 4.19Å; K60-F79 CarbonylContact C-O 3.59Å; K60-F79 WeakPolarHBondContact CA-O 3.35Å; K60-K80 HydrophobicContact CB-CB 4.33Å; K60-K80 HydrophobicContact CB-CG 4.28Å; K60-K80 HydrophobicContact CG-CB 4.4Å
61	V	94.3	Very high	85.5	Confident	18 Å²	18	81.6 Å²	81.6	11%	0.109	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.2	176.4	62.4	0	0	0	0	110.4	W32 Y36 V63 K78 F79	W32-V61 HydrophobicContact CH2-CG1 3.85Å; W32-V61 HydrophobicContact CH2-CG2 4.17Å; W32-V61 HydrophobicContact CZ3-CG1 3.69Å; Y36-V61 HydrophobicContact CD1-CG1 3.95Å; Y36-V61 HydrophobicContact CE1-CB 3.95Å; Y36-V61 HydrophobicContact CE1-CG1 3.82Å; Y36-V61 HydrophobicContact CE1-CG2 4.42Å; Y36-V61 HydrophobicContact CE2-CG2 4.4Å; V61-V63 HydrophobicContact CG2-CG2 4.27Å; V61-K78 CarbonylContact O-C 3.48Å; V61-K78 WeakPolarHBondContact O-CA 3.43Å; V61-F79 HydrophobicContact CG1-CB 3.9Å; V61-F79 HydrophobicContact CG1-CD1 4.25Å; V61-F79 PolarHBondContact N-O 3Å; V61-F79 PolarHBondContact O-N 2.74Å
62	K	93.9	Very high	84.5	Confident	122 Å²	122	78.7 Å²	78.7	53%	0.53	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	114.6	180	179.8	176.6	-176.6	178.1	0	108.8	K78	K62-K78 HydrophobicContact CG-CG 4.29Å
63	V	89.7	Confident	84.1	Confident	23 Å²	23	72.5 Å²	72.5	14%	0.139	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.9	-176.2	-179	0	0	0	0	110	W32 V61 N65 R76 F77	W32-V63 HydrophobicContact CH2-CG2 3.57Å; W32-V63 HydrophobicContact CZ2-CG2 3.9Å; W32-V63 HydrophobicContact CZ3-CG2 4.18Å; V61-V63 HydrophobicContact CG2-CG2 4.27Å; V63-N65 WeakPolarHBondContact CG1-OD1 3.21Å; V63-R76 WeakPolarHBondContact O-CA 3.27Å; V63-F77 HydrophobicContact CB-CD1 4.11Å; V63-F77 HydrophobicContact CB-CD2 4.21Å; V63-F77 HydrophobicContact CB-CE1 3.65Å; V63-F77 HydrophobicContact CB-CE2 3.77Å; V63-F77 HydrophobicContact CB-CG 4.37Å; V63-F77 HydrophobicContact CB-CZ 3.47Å; V63-F77 VanDerWaalsContact CB-CZ 3.47Å; V63-F77 HydrophobicContact CG1-CD1 4.37Å; V63-F77 HydrophobicContact CG1-CE1 3.61Å; V63-F77 HydrophobicContact CG1-CE2 4.45Å; V63-F77 HydrophobicContact CG1-CZ 3.66Å; V63-F77 HydrophobicContact CG2-CD2 4.34Å; V63-F77 HydrophobicContact CG2-CE1 4.26Å; V63-F77 HydrophobicContact CG2-CE2 3.59Å; V63-F77 HydrophobicContact CG2-CZ 3.55Å; V63-F77 PolarHBondContact N-O 2.9Å; V63-F77 PolarHBondContact O-N 2.72Å; V63-F77 VanDerWaalsContact O-N 3.1Å
64	N	86.6	Confident	83.6	Confident	88 Å²	88	69.2 Å²	69.2	47%	0.471	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	86.6	-179.5	-54.3	-50.3	0	0	0	109.4	H66 S75 R76	N64-H66 PolarHBondContact O-N 3.08Å; N64-S75 CarbonylContact C-O 3.52Å; N64-R76 PolarHBondContact OD1-NH1 2.76Å
65	N	79.7	Confident	83.1	Confident	31 Å²	31	71.1 Å²	71.1	17%	0.166	34%	0.339	C	S	.	.			trans	-82.2	96.1	-177.1	-67.9	-40.5	0	0	0	111.6	V63 H67 F68 P74 S75	V63-N65 WeakPolarHBondContact CG1-OD1 3.21Å; N65-H67 PolarHBondContact O-N 2.84Å; N65-F68 WeakPolarHBondContact CB-O 3.44Å; N65-P74 PolarHBondContact ND2-O 2.71Å; N65-S75 PolarHBondContact N-O 3.37Å
66	H	72.5	Confident	82.8	Confident	167 Å²	167	75.9 Å²	75.9	77%	0.773	36%	0.357	S	S	*	.	S	Bend	trans	-81.9	105.6	172.6	-165.9	-101.2	0	0	0	110.8	N64 F68	N64-H66 PolarHBondContact O-N 3.08Å; H66-F68 PolarHBondContact O-N 3.25Å
67	H	62.1	Low	82.7	Confident	144 Å²	144	68.9 Å²	68.9	67%	0.667	33%	0.326	S	S	*	.	S	Bend	trans	58.2	15	-179.6	-73.1	-102.6	0	0	0	116.4	N65	N65-H67 PolarHBondContact O-N 2.84Å
68	F	62.1	Low	82.7	Confident	134 Å²	134	71 Å²	71	59%	0.588	33%	0.334	S	S	*	.	S	Bend	trans	-110.6	140.8	176.9	-173.7	-108.2	0	0	0	111.3	N65 H66 K70	N65-F68 WeakPolarHBondContact CB-O 3.44Å; H66-F68 PolarHBondContact O-N 3.25Å; F68-K70 PolarHBondContact O-N 3.18Å
69	N	66.1	Low	82.8	Confident	56 Å²	56	69.3 Å²	69.3	30%	0.299	33%	0.327	S	S	.	.	S	Bend	trans	49.9	22.1	172	-157.9	24.7	0	0	0	117.7	E71 N72 M73	N69-E71 PolarHBondContact O-N 3.33Å; N69-N72 PolarHBondContact O-N 3.4Å; N69-N72 VanDerWaalsContact O-N 3.1Å; N69-N72 PolarHBondContact OD1-ND2 3.04Å; N69-M73 WeakPolarHBondContact ND2-CG 3.48Å; N69-M73 PolarHBondContact O-N 2.67Å; N69-M73 VanDerWaalsContact O-N 3.11Å
70	K	67	Low	82.9	Confident	110 Å²	110	68.5 Å²	68.5	48%	0.478	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-23.6	-176.1	-72.6	-171.1	169.5	177.7	0	114.6	F68 N72 S75	F68-K70 PolarHBondContact O-N 3.18Å; K70-N72 VanDerWaalsContact C-N 3.33Å; K70-S75 WeakPolarHBondContact CE-OG 2.96Å
71	E	67.7	Low	83	Confident	163 Å²	163	64.1 Å²	64.1	76%	0.762	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-21.6	-179.9	-67.1	175.2	-176.1	0	0	113.6	R21 N69	R21-E71 PolarHBondContact NH1-O 2.87Å; N69-E71 PolarHBondContact O-N 3.33Å
72	N	73.1	Confident	83.2	Confident	26 Å²	26	64 Å²	64	14%	0.139	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.5	-30.9	-169.6	-50.8	-70.7	0	0	0	113.4	L19 R21 S28 N69 K70	L19-N72 HydrophobicContact CD2-CB 4.21Å; L19-N72 WeakPolarHBondContact CD2-ND2 3.37Å; R21-N72 HydrophobicContact CB-CB 4.31Å; R21-N72 WeakPolarHBondContact CD-OD1 3.49Å; R21-N72 PolarHBondContact NH1-OD1 2.6Å; S28-N72 PolarHBondContact OG-O 2.87Å; N69-N72 PolarHBondContact O-N 3.4Å; N69-N72 VanDerWaalsContact O-N 3.1Å; N69-N72 PolarHBondContact OD1-ND2 3.04Å; K70-N72 VanDerWaalsContact C-N 3.33Å
73	M	84.7	Confident	83.4	Confident	10 Å²	10	58.1 Å²	58.1	5%	0.049	28%	0.276	C	S	.	.	S	Bend	trans	-124.7	148.2	179.8	-68.4	-63	-66.7	0	0	110.8	V29 W32 N69 F77	V29-M73 HydrophobicContact CG2-CE 3.93Å; W32-M73 HydrophobicContact CB-CE 3.55Å; W32-M73 HydrophobicContact CB-SD 4.11Å; W32-M73 HydrophobicContact CD2-CE 4.25Å; W32-M73 HydrophobicContact CG-CE 3.63Å; W32-M73 HydrophobicContact CG-SD 4.43Å; N69-M73 WeakPolarHBondContact ND2-CG 3.48Å; N69-M73 PolarHBondContact O-N 2.67Å; N69-M73 VanDerWaalsContact O-N 3.11Å; M73-F77 HydrophobicContact CB-CE1 4.33Å; M73-F77 HydrophobicContact CE-CD1 4.26Å; M73-F77 HydrophobicContact CE-CE1 3.48Å; M73-F77 VanDerWaalsContact CE-CE1 3.48Å; M73-F77 HydrophobicContact CE-CE2 3.99Å; M73-F77 HydrophobicContact CE-CZ 3.31Å
74	P	84.6	Confident	83.7	Confident	15 Å²	15	57.1 Å²	57.1	10%	0.097	27%	0.27	C	S	.	.			trans	-56.4	150.1	171.4	-25.4	37.1	0	0	0	112.2	P25 V29 N65 R76 F77 V175	P25-P74 HydrophobicContact CB-CG 3.89Å; V29-P74 HydrophobicContact CG2-CG 3.83Å; N65-P74 PolarHBondContact ND2-O 2.71Å; P74-R76 VanDerWaalsContact C-N 3.29Å; P74-R76 PolarHBondContact O-N 2.92Å; P74-F77 HydrophobicContact CB-CB 4.48Å; P74-F77 HydrophobicContact CB-CD1 4.14Å; P74-F77 HydrophobicContact CG-CD1 4.48Å; P74-V175 HydrophobicContact CB-CG1 4.23Å; P74-V175 HydrophobicContact CG-CG1 3.82Å
75	S	85.4	Confident	84.1	Confident	54 Å²	54	53.9 Å²	53.9	38%	0.378	25%	0.252	S	S	.	.	S	Bend	trans	-68.7	-29.9	177.9	-64.4	0	0	0	0	112.3	N64 N65 K70	N64-S75 CarbonylContact C-O 3.52Å; N65-S75 PolarHBondContact N-O 3.37Å; K70-S75 WeakPolarHBondContact CE-OG 2.96Å
76	R	90	Very high	84.9	Confident	125 Å²	125	52.4 Å²	52.4	47%	0.472	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	130.6	172.8	-171.2	-175.1	-58.6	-88.8	18.2	109.2	V63 N64 P74	V63-R76 WeakPolarHBondContact O-CA 3.27Å; N64-R76 PolarHBondContact OD1-NH1 2.76Å; P74-R76 VanDerWaalsContact C-N 3.29Å; P74-R76 PolarHBondContact O-N 2.92Å
77	F	93.9	Very high	86.1	Confident	3 Å²	3	44.5 Å²	44.5	1%	0.013	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	160.3	169.7	62.6	-89.7	0	0	0	111.4	V29 W32 V63 M73 P74 T174 V175	V29-F77 HydrophobicContact CB-CD2 4.37Å; V29-F77 HydrophobicContact CG1-CB 4.3Å; V29-F77 HydrophobicContact CG1-CD2 3.64Å; V29-F77 HydrophobicContact CG1-CE2 4.26Å; V29-F77 HydrophobicContact CG1-CG 4.19Å; V29-F77 HydrophobicContact CG2-CB 3.87Å; V29-F77 HydrophobicContact CG2-CD1 4.06Å; V29-F77 HydrophobicContact CG2-CD2 3.83Å; V29-F77 HydrophobicContact CG2-CE2 4.37Å; V29-F77 HydrophobicContact CG2-CG 3.66Å; W32-F77 AromaticContact CD2-CE2 3.99Å; W32-F77 HydrophobicContact CD2-CE2 3.99Å; W32-F77 AromaticContact CD2-CZ 3.97Å; W32-F77 HydrophobicContact CD2-CZ 3.97Å; W32-F77 AromaticContact CE3-CE2 3.52Å; W32-F77 HydrophobicContact CE3-CE2 3.52Å; W32-F77 AromaticContact CE3-CZ 4Å; W32-F77 HydrophobicContact CE3-CZ 4Å; W32-F77 HydrophobicContact CH2-CE2 4.24Å; W32-F77 HydrophobicContact CZ2-CZ 4.46Å; W32-F77 AromaticContact CZ3-CE2 3.68Å; W32-F77 HydrophobicContact CZ3-CE2 3.68Å; W32-F77 HydrophobicContact CZ3-CZ 4.29Å; V63-F77 HydrophobicContact CB-CD1 4.11Å; V63-F77 HydrophobicContact CB-CD2 4.21Å; V63-F77 HydrophobicContact CB-CE1 3.65Å; V63-F77 HydrophobicContact CB-CE2 3.77Å; V63-F77 HydrophobicContact CB-CG 4.37Å; V63-F77 HydrophobicContact CB-CZ 3.47Å; V63-F77 VanDerWaalsContact CB-CZ 3.47Å; V63-F77 HydrophobicContact CG1-CD1 4.37Å; V63-F77 HydrophobicContact CG1-CE1 3.61Å; V63-F77 HydrophobicContact CG1-CE2 4.45Å; V63-F77 HydrophobicContact CG1-CZ 3.66Å; V63-F77 HydrophobicContact CG2-CD2 4.34Å; V63-F77 HydrophobicContact CG2-CE1 4.26Å; V63-F77 HydrophobicContact CG2-CE2 3.59Å; V63-F77 HydrophobicContact CG2-CZ 3.55Å; V63-F77 PolarHBondContact N-O 2.9Å; V63-F77 PolarHBondContact O-N 2.72Å; V63-F77 VanDerWaalsContact O-N 3.1Å; M73-F77 HydrophobicContact CB-CE1 4.33Å; M73-F77 HydrophobicContact CE-CD1 4.26Å; M73-F77 HydrophobicContact CE-CE1 3.48Å; M73-F77 VanDerWaalsContact CE-CE1 3.48Å; M73-F77 HydrophobicContact CE-CE2 3.99Å; M73-F77 HydrophobicContact CE-CZ 3.31Å; P74-F77 HydrophobicContact CB-CB 4.48Å; P74-F77 HydrophobicContact CB-CD1 4.14Å; P74-F77 HydrophobicContact CG-CD1 4.48Å; F77-T174 CarbonylContact C-O 3.53Å; F77-T174 WeakPolarHBondContact CA-O 3.17Å; F77-T174 VanDerWaalsContact CB-O 3.31Å; F77-T174 WeakPolarHBondContact CB-O 3.25Å; F77-V175 HydrophobicContact CB-CG2 4.4Å
78	K	96	Very high	87.7	Confident	53 Å²	53	39.9 Å²	39.9	23%	0.23	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.6	169.8	-43.5	173.6	-166.6	166.8	0	108.9	V61 K62 T174	V61-K78 CarbonylContact O-C 3.48Å; V61-K78 WeakPolarHBondContact O-CA 3.43Å; K62-K78 HydrophobicContact CG-CG 4.29Å; K78-T174 HydrophobicContact CD-CG2 4.15Å; K78-T174 HydrophobicContact CG-CG2 4.33Å; K78-T174 PolarHBondContact N-O 3.25Å; K78-T174 PolarHBondContact O-N 3.23Å
79	F	97.6	Very high	89.3	Confident	1 Å²	1	34.5 Å²	34.5	0%	0.004	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.9	169.4	174	-92.4	0	0	0	108.5	W32 G33 K60 V61 E81 Y171 L173	W32-F79 HydrophobicContact CZ3-CB 4.41Å; G33-F79 WeakPolarHBondContact O-CE1 3.29Å; G33-F79 WeakPolarHBondContact O-CZ 3.13Å; K60-F79 CarbonylContact C-O 3.59Å; K60-F79 WeakPolarHBondContact CA-O 3.35Å; V61-F79 HydrophobicContact CG1-CB 3.9Å; V61-F79 HydrophobicContact CG1-CD1 4.25Å; V61-F79 PolarHBondContact N-O 3Å; V61-F79 PolarHBondContact O-N 2.74Å; F79-E81 HydrophobicContact CE1-CB 4.05Å; F79-E81 HydrophobicContact CZ-CB 4.31Å; F79-Y171 HydrophobicContact CE1-CD1 4.34Å; F79-Y171 AromaticContact CE2-CD1 3.65Å; F79-Y171 HydrophobicContact CE2-CD1 3.65Å; F79-Y171 HydrophobicContact CE2-CE1 4.35Å; F79-Y171 HydrophobicContact CE2-CG 4.13Å; F79-Y171 AromaticContact CZ-CD1 3.33Å; F79-Y171 HydrophobicContact CZ-CD1 3.33Å; F79-Y171 AromaticContact CZ-CE1 3.72Å; F79-Y171 HydrophobicContact CZ-CE1 3.72Å; F79-Y171 HydrophobicContact CZ-CG 4.25Å; F79-L173 HydrophobicContact CD2-CD2 3.44Å; F79-L173 VanDerWaalsContact CD2-CD2 3.44Å; F79-L173 HydrophobicContact CE2-CD2 3.85Å
80	K	98.1	Very high	90.7	Very high	4 Å²	4	31.8 Å²	31.8	2%	0.017	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	125.7	172.9	178.7	177.2	177.7	173	0	109.3	Y58 M59 K60 Y82 Y171 R172 E391	Y58-K80 HydrophobicContact CG-CD 4.45Å; Y58-K80 VanDerWaalsContact CG-CE 3.4Å; M59-K80 CarbonylContact O-C 3.56Å; M59-K80 WeakPolarHBondContact O-CA 3.4Å; K60-K80 HydrophobicContact CB-CB 4.33Å; K60-K80 HydrophobicContact CB-CG 4.28Å; K60-K80 HydrophobicContact CG-CB 4.4Å; K80-Y82 HydrophobicContact CD-CE1 4.01Å; K80-Y82 HydrophobicContact CD-CE2 4.1Å; K80-Y82 HydrophobicContact CG-CD2 4.42Å; K80-Y82 HydrophobicContact CG-CE2 4.14Å; K80-Y171 CarbonylContact O-C 3.6Å; K80-Y171 VanDerWaalsContact O-CA 3.25Å; K80-Y171 WeakPolarHBondContact O-CA 3.27Å; K80-R172 HydrophobicContact CB-CB 4.25Å; K80-R172 PolarHBondContact N-O 3.41Å; K80-R172 PolarHBondContact O-N 2.84Å; K80-E391 IonicContact NZ-OE1 3.83Å; K80-E391 PolarHBondContact NZ-OE1 3.02Å; K80-E391 IonicContact NZ-OE2 3.37Å; K80-E391 PolarHBondContact NZ-OE2 3Å
81	E	98.2	Very high	92.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	129.5	165.6	-178.9	171.6	-141.5	0	0	108.6	S37 Y58 M59 F79 P84 R91 Y171	S37-E81 VanDerWaalsContact CB-OE2 3.26Å; S37-E81 WeakPolarHBondContact CB-OE2 3.46Å; S37-E81 PolarHBondContact OG-OE2 3.35Å; Y58-E81 WeakPolarHBondContact CA-O 3.38Å; Y58-E81 WeakPolarHBondContact CB-O 3.4Å; M59-E81 HydrophobicContact CE-CB 4.31Å; M59-E81 WeakPolarHBondContact CE-OE2 3.1Å; M59-E81 PolarHBondContact N-O 3.27Å; M59-E81 PolarHBondContact O-N 2.67Å; F79-E81 HydrophobicContact CE1-CB 4.05Å; F79-E81 HydrophobicContact CZ-CB 4.31Å; E81-P84 HydrophobicContact CG-CB 4.06Å; E81-R91 IonicContact OE1-NH1 3.18Å; E81-Y171 HydrophobicContact CB-CD1 3.88Å; E81-Y171 HydrophobicContact CB-CE1 3.9Å; E81-Y171 HydrophobicContact CG-CD1 3.94Å; E81-Y171 HydrophobicContact CG-CE1 3.55Å; E81-Y171 VanDerWaalsContact OE1-CE1 3.31Å; E81-Y171 WeakPolarHBondContact OE1-CE1 3.32Å; E81-Y171 PolarHBondContact OE1-OH 3.4Å
82	Y	98.4	Very high	93.4	Very high	14 Å²	14	22.9 Å²	22.9	6%	0.055	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	142.1	176.6	-65	-96.8	0	0	0	109.7	K80 F87 H145 L170 R172	K80-Y82 HydrophobicContact CD-CE1 4.01Å; K80-Y82 HydrophobicContact CD-CE2 4.1Å; K80-Y82 HydrophobicContact CG-CD2 4.42Å; K80-Y82 HydrophobicContact CG-CE2 4.14Å; Y82-F87 WeakPolarHBondContact O-CD2 3.37Å; Y82-F87 WeakPolarHBondContact O-CE2 3.36Å; Y82-H145 AromaticContact CD1-CE1 3.76Å; Y82-H145 AromaticContact CD1-NE2 3.14Å; Y82-H145 WeakPolarHBondContact CD1-NE2 3.23Å; Y82-H145 AromaticContact CE1-NE2 3.81Å; Y82-H145 AromaticContact CG-NE2 3.72Å; Y82-L170 HydrophobicContact CD2-CD2 4.35Å; Y82-L170 HydrophobicContact CD2-CG 3.96Å; Y82-L170 HydrophobicContact CG-CD2 4.28Å; Y82-L170 HydrophobicContact CG-CG 4.31Å; Y82-L170 PolarHBondContact N-O 3.07Å; Y82-R172 HydrophobicContact CE2-CB 3.73Å
83	C	97.5	Very high	94.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	47	48.1	174.3	-49.5	0	0	0	0	114.8	D54 F55 A57 M85 V86 F87 H145 L148	D54-C83 WeakPolarHBondContact O-CA 3.49Å; F55-C83 VanDerWaalsContact C-SG 3.54Å; F55-C83 PolarHBondContact O-SG 2.63Å; A57-C83 WeakPolarHBondContact O-CA 3.48Å; A57-C83 PolarHBondContact O-N 2.7Å; C83-M85 VanDerWaalsContact C-N 3.28Å; C83-M85 PolarHBondContact O-N 3.1Å; C83-M85 VanDerWaalsContact O-N 3.14Å; C83-V86 HydrophobicContact CB-CB 3.94Å; C83-V86 HydrophobicContact CB-CG2 3.83Å; C83-V86 WeakPolarHBondContact O-CA 3.39Å; C83-V86 WeakPolarHBondContact O-CB 3.33Å; C83-V86 PolarHBondContact O-N 3.49Å; C83-F87 HydrophobicContact CB-CD2 4.09Å; C83-F87 HydrophobicContact CB-CE2 4.06Å; C83-F87 WeakPolarHBondContact O-CD2 3.4Å; C83-F87 PolarHBondContact O-N 3.08Å; C83-H145 PolarHBondContact SG-CE1 3.39Å; C83-L148 HydrophobicContact CB-CD2 3.71Å; C83-L148 WeakPolarHBondContact SG-CD2 3.46Å
84	P	96.5	Very high	95	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-59.5	-34.5	-166.4	23.1	-34.9	0	0	0	113.8	L41 E81 K88 I396	L41-P84 HydrophobicContact CD1-CB 4.09Å; L41-P84 HydrophobicContact CD2-CB 4.01Å; E81-P84 HydrophobicContact CG-CB 4.06Å; P84-K88 WeakPolarHBondContact O-CB 3.34Å; P84-K88 PolarHBondContact O-N 3.08Å; P84-I396 HydrophobicContact CG-CD1 3.91Å
85	M	95	Very high	95.5	Very high	20 Å²	20	28 Å²	28	10%	0.099	14%	0.142	C	C	.	.	H	α-helix	trans	-71.9	-34	176.4	-63	-54.7	-65.3	0	0	112.6	L41 V44 L50 D54 C83 S89	L41-M85 HydrophobicContact CD2-SD 4.18Å; V44-M85 HydrophobicContact CG1-CE 4.2Å; V44-M85 HydrophobicContact CG1-SD 3.97Å; L50-M85 HydrophobicContact CD2-CB 4.05Å; D54-M85 HydrophobicContact CB-CB 4.38Å; C83-M85 VanDerWaalsContact C-N 3.28Å; C83-M85 PolarHBondContact O-N 3.1Å; C83-M85 VanDerWaalsContact O-N 3.14Å; M85-S89 PolarHBondContact O-N 3.39Å
86	V	97	Very high	95.9	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.7	-51.1	175.4	-172.1	0	0	0	0	109.6	L50 D54 F55 C83 K88 S89 L90 L148 Y152	L50-V86 HydrophobicContact CD1-CB 4.31Å; L50-V86 HydrophobicContact CD1-CG1 4.24Å; L50-V86 HydrophobicContact CD1-CG2 4.16Å; D54-V86 HydrophobicContact CB-CG2 4.02Å; D54-V86 WeakPolarHBondContact O-CG2 3.35Å; F55-V86 HydrophobicContact CD1-CG1 4.11Å; F55-V86 HydrophobicContact CD1-CG2 3.87Å; F55-V86 HydrophobicContact CD2-CG2 4.24Å; F55-V86 HydrophobicContact CE1-CB 4.44Å; F55-V86 HydrophobicContact CE1-CG1 3.59Å; F55-V86 HydrophobicContact CE1-CG2 3.92Å; F55-V86 HydrophobicContact CE2-CG2 4.31Å; F55-V86 HydrophobicContact CG-CG2 4.02Å; F55-V86 HydrophobicContact CZ-CG1 4.12Å; F55-V86 HydrophobicContact CZ-CG2 4.15Å; C83-V86 HydrophobicContact CB-CB 3.94Å; C83-V86 HydrophobicContact CB-CG2 3.83Å; C83-V86 WeakPolarHBondContact O-CA 3.39Å; C83-V86 WeakPolarHBondContact O-CB 3.33Å; C83-V86 PolarHBondContact O-N 3.49Å; V86-K88 VanDerWaalsContact C-N 3.35Å; V86-K88 PolarHBondContact O-N 3.21Å; V86-S89 CarbonylContact O-C 3.52Å; V86-S89 PolarHBondContact O-N 2.96Å; V86-S89 VanDerWaalsContact O-N 3.08Å; V86-L90 HydrophobicContact CG1-CD1 4.3Å; V86-L90 WeakPolarHBondContact O-CG 3.04Å; V86-L90 PolarHBondContact O-N 3.15Å; V86-L148 HydrophobicContact CB-CD2 4.46Å; V86-L148 HydrophobicContact CG1-CD1 4.09Å; V86-L148 HydrophobicContact CG1-CD2 4.15Å; V86-L148 HydrophobicContact CG1-CG 4.1Å; V86-Y152 HydrophobicContact CG1-CD2 4.11Å; V86-Y152 HydrophobicContact CG1-CG 4.45Å
87	F	97.3	Very high	96	Very high	1 Å²	1	26.2 Å²	26.2	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-66.6	-32.8	178.2	-73	-70.6	0	0	0	113.1	Y82 C83 L90 R91 M144 L148 F167 L170	Y82-F87 WeakPolarHBondContact O-CD2 3.37Å; Y82-F87 WeakPolarHBondContact O-CE2 3.36Å; C83-F87 HydrophobicContact CB-CD2 4.09Å; C83-F87 HydrophobicContact CB-CE2 4.06Å; C83-F87 WeakPolarHBondContact O-CD2 3.4Å; C83-F87 PolarHBondContact O-N 3.08Å; F87-L90 HydrophobicContact CD1-CD1 3.87Å; F87-L90 HydrophobicContact CE1-CD1 4.15Å; F87-L90 PolarHBondContact O-N 3.03Å; F87-R91 WeakPolarHBondContact O-CG 3.27Å; F87-R91 PolarHBondContact O-N 2.88Å; F87-M144 HydrophobicContact CZ-CE 4.48Å; F87-L148 HydrophobicContact CZ-CD1 4.21Å; F87-F167 HydrophobicContact CE1-CB 3.97Å; F87-L170 HydrophobicContact CD2-CB 4.49Å; F87-L170 HydrophobicContact CE2-CB 3.6Å; F87-L170 HydrophobicContact CZ-CB 3.64Å
88	K	95.2	Very high	96	Very high	47 Å²	47	30.2 Å²	30.2	20%	0.204	15%	0.151	C	C	.	.	H	α-helix	trans	-58.2	-49.8	167.4	-172.4	-158.4	173.9	-57.2	0	110.8	P84 V86 L90 R91 D92	P84-K88 WeakPolarHBondContact O-CB 3.34Å; P84-K88 PolarHBondContact O-N 3.08Å; V86-K88 VanDerWaalsContact C-N 3.35Å; V86-K88 PolarHBondContact O-N 3.21Å; K88-L90 VanDerWaalsContact C-N 3.31Å; K88-L90 PolarHBondContact O-N 2.78Å; K88-R91 PolarHBondContact O-N 3.27Å; K88-D92 VanDerWaalsContact NZ-CG 3.33Å; K88-D92 IonicContact NZ-OD1 2.94Å; K88-D92 PolarHBondContact NZ-OD1 3.01Å; K88-D92 VanDerWaalsContact NZ-OD1 3.15Å; K88-D92 IonicContact NZ-OD2 2.79Å; K88-D92 PolarHBondContact NZ-OD2 2.92Å; K88-D92 VanDerWaalsContact O-CG 3.24Å; K88-D92 PolarHBondContact O-N 3.19Å
89	S	95	Very high	95.9	Very high	21 Å²	21	33.1 Å²	33.1	15%	0.147	17%	0.166	C	C	.	.	H	α-helix	trans	-66.6	-30.9	179.9	-173.8	0	0	0	0	113.1	M85 V86 R93 Y152	M85-S89 PolarHBondContact O-N 3.39Å; V86-S89 CarbonylContact O-C 3.52Å; V86-S89 PolarHBondContact O-N 2.96Å; V86-S89 VanDerWaalsContact O-N 3.08Å; S89-R93 WeakPolarHBondContact O-CB 2.95Å; S89-R93 VanDerWaalsContact O-CG 3.22Å; S89-R93 WeakPolarHBondContact O-CG 3.45Å; S89-R93 PolarHBondContact O-N 3.49Å; S89-Y152 PolarHBondContact OG-OH 2.66Å
90	L	97.2	Very high	95.6	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-65.9	-46.5	171.6	-73	169.8	0	0	0	111.2	V86 F87 K88 D92 R93 F94 L148 Y151 Y152 I155	V86-L90 HydrophobicContact CG1-CD1 4.3Å; V86-L90 WeakPolarHBondContact O-CG 3.04Å; V86-L90 PolarHBondContact O-N 3.15Å; F87-L90 HydrophobicContact CD1-CD1 3.87Å; F87-L90 HydrophobicContact CE1-CD1 4.15Å; F87-L90 PolarHBondContact O-N 3.03Å; K88-L90 VanDerWaalsContact C-N 3.31Å; K88-L90 PolarHBondContact O-N 2.78Å; L90-D92 VanDerWaalsContact C-N 3.34Å; L90-D92 PolarHBondContact O-N 3.16Å; L90-R93 PolarHBondContact O-N 3.49Å; L90-F94 HydrophobicContact CB-CD2 4.24Å; L90-F94 HydrophobicContact CB-CE2 3.99Å; L90-F94 HydrophobicContact CD2-CE2 4.07Å; L90-F94 HydrophobicContact CD2-CZ 4.33Å; L90-F94 WeakPolarHBondContact O-CD2 3.4Å; L90-F94 WeakPolarHBondContact O-CG 3.24Å; L90-F94 PolarHBondContact O-N 3.15Å; L90-L148 HydrophobicContact CD1-CD1 4.36Å; L90-Y151 HydrophobicContact CD1-CD1 4.33Å; L90-Y151 HydrophobicContact CD1-CE1 3.98Å; L90-Y151 HydrophobicContact CD2-CD1 4.34Å; L90-Y151 HydrophobicContact CD2-CE1 3.9Å; L90-Y152 HydrophobicContact CD2-CD2 3.84Å; L90-Y152 HydrophobicContact CG-CD2 4.1Å; L90-I155 HydrophobicContact CD2-CB 4.23Å; L90-I155 HydrophobicContact CD2-CG1 4.3Å; L90-I155 HydrophobicContact CD2-CG2 4.01Å
91	R	96.6	Very high	95.5	Very high	9 Å²	9	36.7 Å²	36.7	3%	0.034	19%	0.186	C	C	.	.	H	α-helix	trans	-55.5	-47.8	173.2	-71.8	-176.6	-63.4	-116.9	8.8	111.5	E81 F87 K88 R93 F94 G95 V96 L168	E81-R91 IonicContact OE1-NH1 3.18Å; F87-R91 WeakPolarHBondContact O-CG 3.27Å; F87-R91 PolarHBondContact O-N 2.88Å; K88-R91 PolarHBondContact O-N 3.27Å; R91-R93 VanDerWaalsContact C-N 3.28Å; R91-R93 PolarHBondContact O-N 3.46Å; R91-F94 PolarHBondContact O-N 2.92Å; R91-G95 PolarHBondContact O-N 2.93Å; R91-V96 HydrophobicContact CB-CB 4.13Å; R91-V96 HydrophobicContact CB-CG1 4.34Å; R91-V96 HydrophobicContact CG-CB 4.43Å; R91-V96 HydrophobicContact CG-CG1 4.27Å; R91-V96 PolarHBondContact O-N 3.32Å; R91-L168 WeakPolarHBondContact CD-O 3.27Å; R91-L168 HydrophobicContact CG-CB 4Å; R91-L168 HydrophobicContact CG-CD2 4.06Å; R91-L168 PolarHBondContact NH1-O 2.78Å
92	D	94	Very high	95.3	Very high	77 Å²	77	39.3 Å²	39.3	41%	0.412	20%	0.196	S	C	.	.	H	α-helix	trans	-58.4	-38	176.1	-60.8	-21.2	0	0	0	111.6	K88 L90	K88-D92 VanDerWaalsContact NZ-CG 3.33Å; K88-D92 IonicContact NZ-OD1 2.94Å; K88-D92 PolarHBondContact NZ-OD1 3.01Å; K88-D92 VanDerWaalsContact NZ-OD1 3.15Å; K88-D92 IonicContact NZ-OD2 2.79Å; K88-D92 PolarHBondContact NZ-OD2 2.92Å; K88-D92 VanDerWaalsContact O-CG 3.24Å; K88-D92 PolarHBondContact O-N 3.19Å; L90-D92 VanDerWaalsContact C-N 3.34Å; L90-D92 PolarHBondContact O-N 3.16Å
93	R	94.5	Very high	95.1	Very high	100 Å²	100	40.1 Å²	40.1	38%	0.377	20%	0.201	S	C	.	.	H	α-helix	trans	-76	-28.9	179	-75	173.1	-170.8	-66.9	-7.3	114.6	S89 L90 R91 G95 Y152 I155 V156	S89-R93 WeakPolarHBondContact O-CB 2.95Å; S89-R93 VanDerWaalsContact O-CG 3.22Å; S89-R93 WeakPolarHBondContact O-CG 3.45Å; S89-R93 PolarHBondContact O-N 3.49Å; L90-R93 PolarHBondContact O-N 3.49Å; R91-R93 VanDerWaalsContact C-N 3.28Å; R91-R93 PolarHBondContact O-N 3.46Å; R93-G95 VanDerWaalsContact C-N 3.29Å; R93-Y152 PolarHBondContact NE-OH 2.65Å; R93-Y152 PolarHBondContact NH2-OH 2.87Å; R93-I155 HydrophobicContact CB-CG2 4.35Å; R93-V156 VanDerWaalsContact CZ-CG2 3.47Å
94	F	96.3	Very high	94.9	Very high	13 Å²	13	40.2 Å²	40.2	6%	0.057	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	8.5	178.3	-65.7	-48.5	0	0	0	113.7	L90 R91 V96 Y151 I155 Q166 L168 R186	L90-F94 HydrophobicContact CB-CD2 4.24Å; L90-F94 HydrophobicContact CB-CE2 3.99Å; L90-F94 HydrophobicContact CD2-CE2 4.07Å; L90-F94 HydrophobicContact CD2-CZ 4.33Å; L90-F94 WeakPolarHBondContact O-CD2 3.4Å; L90-F94 WeakPolarHBondContact O-CG 3.24Å; L90-F94 PolarHBondContact O-N 3.15Å; R91-F94 PolarHBondContact O-N 2.92Å; F94-V96 HydrophobicContact CB-CG2 4.1Å; F94-V96 PolarHBondContact O-N 2.9Å; F94-Y151 WeakPolarHBondContact CZ-OH 3.49Å; F94-I155 HydrophobicContact CD1-CG2 4.43Å; F94-I155 HydrophobicContact CE1-CD1 3.85Å; F94-I155 HydrophobicContact CE1-CG1 4.23Å; F94-I155 HydrophobicContact CE1-CG2 3.6Å; F94-I155 HydrophobicContact CZ-CB 4.4Å; F94-I155 HydrophobicContact CZ-CD1 3.75Å; F94-I155 HydrophobicContact CZ-CG1 3.8Å; F94-I155 HydrophobicContact CZ-CG2 3.66Å; F94-Q166 HydrophobicContact CD1-CB 4.13Å; F94-Q166 HydrophobicContact CD1-CG 3.62Å; F94-Q166 HydrophobicContact CD2-CB 3.88Å; F94-Q166 HydrophobicContact CD2-CG 4.3Å; F94-Q166 HydrophobicContact CE1-CB 4.07Å; F94-Q166 HydrophobicContact CE1-CG 3.52Å; F94-Q166 HydrophobicContact CE2-CB 3.8Å; F94-Q166 HydrophobicContact CE2-CG 4.2Å; F94-Q166 HydrophobicContact CG-CB 4.05Å; F94-Q166 HydrophobicContact CG-CG 4.02Å; F94-Q166 HydrophobicContact CZ-CB 3.89Å; F94-Q166 HydrophobicContact CZ-CG 3.82Å; F94-L168 HydrophobicContact CB-CD2 4.47Å; F94-L168 HydrophobicContact CD2-CD2 3.68Å; F94-L168 HydrophobicContact CE2-CD2 4.42Å; F94-L168 HydrophobicContact CG-CD2 4.5Å; F94-R186 PolarHBondContact O-NH2 3.37Å
95	G	95	Very high	94.7	Very high	45 Å²	45	40.2 Å²	40.2	46%	0.464	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	29.8	-176.2	0	0	0	0	0	112.8	R91 R93	R91-G95 PolarHBondContact O-N 2.93Å; R93-G95 VanDerWaalsContact C-N 3.29Å
96	V	95.1	Very high	94.5	Very high	9 Å²	9	39.6 Å²	39.6	6%	0.055	20%	0.199	C	C	.	.			trans	-91.7	103.8	176.8	174.2	0	0	0	0	108.2	R91 F94 Y101 F131 L168 R186	R91-V96 HydrophobicContact CB-CB 4.13Å; R91-V96 HydrophobicContact CB-CG1 4.34Å; R91-V96 HydrophobicContact CG-CB 4.43Å; R91-V96 HydrophobicContact CG-CG1 4.27Å; R91-V96 PolarHBondContact O-N 3.32Å; F94-V96 HydrophobicContact CB-CG2 4.1Å; F94-V96 PolarHBondContact O-N 2.9Å; V96-Y101 HydrophobicContact CG1-CD2 3.96Å; V96-Y101 HydrophobicContact CG1-CG 4.3Å; V96-F131 HydrophobicContact CG1-CE1 4.1Å; V96-F131 HydrophobicContact CG1-CZ 3.84Å; V96-F131 HydrophobicContact CG2-CE1 4.21Å; V96-L168 HydrophobicContact CG2-CD1 4.19Å; V96-L168 HydrophobicContact CG2-CD2 3.97Å; V96-R186 VanDerWaalsContact CG2-NH2 3.31Å
97	E	92.7	Very high	94.1	Very high	132 Å²	132	45.3 Å²	45.3	62%	0.617	22%	0.22	S	C	*	.			trans	-63.4	141.2	178.2	-68.2	-154.8	-169.9	0	0	111.9	M99 D100 Y101	E97-M99 VanDerWaalsContact C-N 3.29Å; E97-M99 PolarHBondContact O-N 2.91Å; E97-D100 HydrophobicContact CB-CB 4.24Å; E97-D100 PolarHBondContact O-N 3.34Å; E97-Y101 PolarHBondContact O-N 3.37Å
98	K	92.8	Very high	93.7	Very high	87 Å²	87	50.1 Å²	50.1	38%	0.378	24%	0.243	S	C	.	.	H	α-helix	trans	-55.8	-44.4	180	177.7	-164.7	153.1	-169.1	0	111.7	F38 N42 W102	F38-K98 HydrophobicContact CD1-CG 3.75Å; F38-K98 HydrophobicContact CE1-CB 4.46Å; F38-K98 HydrophobicContact CE1-CG 3.6Å; F38-K98 WeakPolarHBondContact CE1-O 3Å; N42-K98 VanDerWaalsContact CG-NZ 3.3Å; N42-K98 PolarHBondContact ND2-NZ 3.14Å; N42-K98 VanDerWaalsContact OD1-CE 3.25Å; N42-K98 WeakPolarHBondContact OD1-CE 3.43Å; N42-K98 PolarHBondContact OD1-NZ 3.1Å; K98-W102 WeakPolarHBondContact O-CB 3.45Å; K98-W102 PolarHBondContact O-N 3.29Å; K98-W102 VanDerWaalsContact O-N 3.13Å
99	M	93.2	Very high	93.5	Very high	114 Å²	114	50.9 Å²	50.9	56%	0.562	25%	0.247	S	C	*	.	H	α-helix	trans	-71.4	-42.6	-177.2	-66	-53.4	-152.9	0	0	111.3	E97 Y101 W102 D103	E97-M99 VanDerWaalsContact C-N 3.29Å; E97-M99 PolarHBondContact O-N 2.91Å; M99-Y101 PolarHBondContact O-N 2.91Å; M99-W102 PolarHBondContact O-N 3.19Å; M99-D103 VanDerWaalsContact O-CB 3.26Å; M99-D103 WeakPolarHBondContact O-CB 3.35Å; M99-D103 PolarHBondContact O-N 2.98Å
100	D	92.9	Very high	93.4	Very high	80 Å²	80	49.9 Å²	49.9	43%	0.428	24%	0.24	S	C	.	.	H	α-helix	trans	-60.4	-47	177.7	-67.7	-8	0	0	0	111.9	E97 W102 D103 S104	E97-D100 HydrophobicContact CB-CB 4.24Å; E97-D100 PolarHBondContact O-N 3.34Å; D100-W102 PolarHBondContact O-N 2.88Å; D100-D103 PolarHBondContact O-N 3.27Å; D100-S104 VanDerWaalsContact O-CB 3.28Å; D100-S104 WeakPolarHBondContact O-CB 3.4Å; D100-S104 PolarHBondContact O-N 3.46Å; D100-S104 PolarHBondContact O-OG 3.28Å
101	Y	95.5	Very high	93	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-60.7	-47.1	176.1	-174.9	-88.5	0	0	0	111.8	I34 F38 V96 E97 M99 F105 F131 L168 Y171 V184	I34-Y101 HydrophobicContact CG2-CE1 4.22Å; F38-Y101 HydrophobicContact CE1-CD1 4.12Å; F38-Y101 AromaticContact CE2-CD1 3.84Å; F38-Y101 HydrophobicContact CE2-CD1 3.84Å; F38-Y101 AromaticContact CE2-CE1 3.89Å; F38-Y101 HydrophobicContact CE2-CE1 3.89Å; F38-Y101 AromaticContact CZ-CD1 3.32Å; F38-Y101 HydrophobicContact CZ-CD1 3.32Å; F38-Y101 AromaticContact CZ-CE1 3.82Å; F38-Y101 HydrophobicContact CZ-CE1 3.82Å; F38-Y101 HydrophobicContact CZ-CG 4.25Å; V96-Y101 HydrophobicContact CG1-CD2 3.96Å; V96-Y101 HydrophobicContact CG1-CG 4.3Å; E97-Y101 PolarHBondContact O-N 3.37Å; M99-Y101 PolarHBondContact O-N 2.91Å; Y101-F105 HydrophobicContact CD1-CD2 4.39Å; Y101-F105 HydrophobicContact CD2-CE2 4.33Å; Y101-F105 HydrophobicContact CE1-CD2 4.15Å; Y101-F105 HydrophobicContact CE1-CE2 4.24Å; Y101-F105 HydrophobicContact CE2-CD2 4.43Å; Y101-F105 AromaticContact CE2-CE2 3.82Å; Y101-F105 HydrophobicContact CE2-CE2 3.82Å; Y101-F105 AromaticContact CZ-CE2 3.8Å; Y101-F105 WeakPolarHBondContact O-CD2 3.48Å; Y101-F105 PolarHBondContact O-N 2.85Å; Y101-F131 HydrophobicContact CD2-CD1 4.44Å; Y101-F131 HydrophobicContact CD2-CD2 4.22Å; Y101-F131 HydrophobicContact CD2-CE1 4.26Å; Y101-F131 HydrophobicContact CD2-CE2 4.02Å; Y101-F131 HydrophobicContact CD2-CG 4.44Å; Y101-F131 HydrophobicContact CD2-CZ 4.05Å; Y101-L168 HydrophobicContact CD2-CB 4.39Å; Y101-L168 HydrophobicContact CD2-CD1 4.19Å; Y101-L168 HydrophobicContact CE2-CB 3.63Å; Y101-L168 HydrophobicContact CE2-CD1 3.99Å; Y101-L168 HydrophobicContact CE2-CG 4.47Å; Y101-Y171 PolarHBondContact OH-OH 3.08Å; Y101-V184 HydrophobicContact CE2-CG1 3.79Å; Y101-V184 WeakPolarHBondContact OH-CG1 3.42Å
102	W	94.1	Very high	92.6	Very high	56 Å²	56	54.5 Å²	54.5	21%	0.212	26%	0.261	C	S	.	.	H	α-helix	trans	-62.9	-45.4	179.2	176.7	83.9	0	0	0	112	N35 F38 K98 M99 D100 F105 T106	N35-W102 WeakPolarHBondContact OD1-CZ2 3.25Å; N35-W102 PolarHBondContact OD1-NE1 3.34Å; F38-W102 HydrophobicContact CD1-CB 3.8Å; F38-W102 HydrophobicContact CD1-CG 4.26Å; F38-W102 HydrophobicContact CE1-CB 4.03Å; F38-W102 HydrophobicContact CG-CB 4.48Å; F38-W102 AromaticContact CG-CD1 4Å; K98-W102 WeakPolarHBondContact O-CB 3.45Å; K98-W102 PolarHBondContact O-N 3.29Å; K98-W102 VanDerWaalsContact O-N 3.13Å; M99-W102 PolarHBondContact O-N 3.19Å; D100-W102 PolarHBondContact O-N 2.88Å; W102-F105 PolarHBondContact O-N 2.94Å; W102-T106 HydrophobicContact CD2-CG2 4.41Å; W102-T106 HydrophobicContact CG-CG2 4.35Å; W102-T106 VanDerWaalsContact O-CB 3.29Å; W102-T106 WeakPolarHBondContact O-CB 3.31Å; W102-T106 VanDerWaalsContact O-CG2 3.25Å; W102-T106 WeakPolarHBondContact O-CG2 3.47Å; W102-T106 PolarHBondContact O-N 2.75Å; W102-T106 PolarHBondContact O-OG1 2.7Å
103	D	93.5	Very high	91.7	Very high	31 Å²	31	52 Å²	52	17%	0.166	25%	0.248	C	C	.	.	H	α-helix	trans	-65.4	-41.9	-178.4	-161.4	60.5	0	0	0	111.2	M99 D100 F105 T106 R107 Y127	M99-D103 VanDerWaalsContact O-CB 3.26Å; M99-D103 WeakPolarHBondContact O-CB 3.35Å; M99-D103 PolarHBondContact O-N 2.98Å; D100-D103 PolarHBondContact O-N 3.27Å; D103-F105 PolarHBondContact O-N 2.71Å; D103-F105 VanDerWaalsContact O-N 3.14Å; D103-T106 PolarHBondContact O-N 2.79Å; D103-R107 WeakPolarHBondContact O-CB 3.26Å; D103-R107 PolarHBondContact O-N 2.57Å; D103-R107 IonicContact OD1-CZ 3.2Å; D103-R107 IonicContact OD1-NE 2.87Å; D103-R107 PolarHBondContact OD1-NE 3.37Å; D103-R107 IonicContact OD1-NH2 2.79Å; D103-R107 PolarHBondContact OD1-NH2 2.9Å; D103-R107 IonicContact OD2-CZ 2.75Å; D103-R107 IonicContact OD2-NE 2.88Å; D103-R107 PolarHBondContact OD2-NE 2.83Å; D103-R107 IonicContact OD2-NH2 2.66Å; D103-R107 PolarHBondContact OD2-NH2 2.93Å; D103-Y127 PolarHBondContact OD2-OH 3.32Å
104	S	93.5	Very high	89.9	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.007	27%	0.267	C	S	.	.	H	α-helix	trans	-53.2	-34.5	176.5	-60.7	0	0	0	0	113.9	D100 T126 Y127 N128 F131	D100-S104 VanDerWaalsContact O-CB 3.28Å; D100-S104 WeakPolarHBondContact O-CB 3.4Å; D100-S104 PolarHBondContact O-N 3.46Å; D100-S104 PolarHBondContact O-OG 3.28Å; S104-T126 WeakPolarHBondContact O-CB 3.46Å; S104-T126 WeakPolarHBondContact O-CG2 2.84Å; S104-Y127 WeakPolarHBondContact O-CD1 3.3Å; S104-N128 PolarHBondContact OG-ND2 3.25Å; S104-F131 WeakPolarHBondContact OG-CE2 3.12Å
105	F	92.4	Very high	87.8	Confident	1 Å²	1	54.5 Å²	54.5	0%	0.004	28%	0.28	C	S	.	.	H	α-helix	trans	-95.9	-20.3	176.8	-77.4	-78.7	0	0	0	114.2	L30 M31 I34 Y101 W102 D103 T126 F131 A133 V184	L30-F105 HydrophobicContact CD2-CE1 4.44Å; M31-F105 WeakPolarHBondContact CE-O 3.19Å; M31-F105 VanDerWaalsContact CG-O 3.3Å; M31-F105 WeakPolarHBondContact CG-O 3.21Å; I34-F105 HydrophobicContact CD1-CB 3.9Å; I34-F105 HydrophobicContact CD1-CD1 3.64Å; I34-F105 HydrophobicContact CD1-CD2 3.92Å; I34-F105 HydrophobicContact CD1-CE1 4.14Å; I34-F105 HydrophobicContact CD1-CE2 4.4Å; I34-F105 HydrophobicContact CD1-CG 3.53Å; I34-F105 HydrophobicContact CG2-CB 4.28Å; Y101-F105 HydrophobicContact CD1-CD2 4.39Å; Y101-F105 HydrophobicContact CD2-CE2 4.33Å; Y101-F105 HydrophobicContact CE1-CD2 4.15Å; Y101-F105 HydrophobicContact CE1-CE2 4.24Å; Y101-F105 HydrophobicContact CE2-CD2 4.43Å; Y101-F105 AromaticContact CE2-CE2 3.82Å; Y101-F105 HydrophobicContact CE2-CE2 3.82Å; Y101-F105 AromaticContact CZ-CE2 3.8Å; Y101-F105 WeakPolarHBondContact O-CD2 3.48Å; Y101-F105 PolarHBondContact O-N 2.85Å; W102-F105 PolarHBondContact O-N 2.94Å; D103-F105 PolarHBondContact O-N 2.71Å; D103-F105 VanDerWaalsContact O-N 3.14Å; F105-T126 HydrophobicContact CD1-CG2 3.88Å; F105-T126 HydrophobicContact CD2-CG2 4.03Å; F105-T126 HydrophobicContact CE1-CG2 3.62Å; F105-T126 HydrophobicContact CE2-CG2 3.78Å; F105-T126 HydrophobicContact CG-CG2 4.07Å; F105-T126 HydrophobicContact CZ-CG2 3.55Å; F105-F131 HydrophobicContact CE2-CB 4.06Å; F105-F131 HydrophobicContact CE2-CD2 4.18Å; F105-F131 HydrophobicContact CE2-CG 4.34Å; F105-F131 HydrophobicContact CZ-CB 4.09Å; F105-A133 HydrophobicContact CE1-CB 4.41Å; F105-V184 HydrophobicContact CE1-CG2 4.41Å; F105-V184 HydrophobicContact CE2-CG1 3.84Å; F105-V184 HydrophobicContact CZ-CB 4.41Å; F105-V184 HydrophobicContact CZ-CG1 3.58Å; F105-V184 HydrophobicContact CZ-CG2 3.85Å
106	T	90	Very high	85.7	Confident	7 Å²	7	55.6 Å²	55.6	4%	0.043	27%	0.27	C	S	.	.	H	α-helix	trans	-112.3	-18.4	-168.4	62.9	0	0	0	0	115.2	F20 N35 W102 D103	F20-T106 HydrophobicContact CE1-CG2 4.05Å; F20-T106 HydrophobicContact CZ-CG2 4.48Å; N35-T106 HydrophobicContact CB-CG2 4.06Å; W102-T106 HydrophobicContact CD2-CG2 4.41Å; W102-T106 HydrophobicContact CG-CG2 4.35Å; W102-T106 VanDerWaalsContact O-CB 3.29Å; W102-T106 WeakPolarHBondContact O-CB 3.31Å; W102-T106 VanDerWaalsContact O-CG2 3.25Å; W102-T106 WeakPolarHBondContact O-CG2 3.47Å; W102-T106 PolarHBondContact O-N 2.75Å; W102-T106 PolarHBondContact O-OG1 2.7Å; D103-T106 PolarHBondContact O-N 2.79Å
107	R	88.6	Confident	83.1	Confident	120 Å²	120	57.8 Å²	57.8	45%	0.453	30%	0.295	S	S	.	.	S	Bend	trans	-74.9	-46.6	178.8	-170.9	-174.9	-67.1	-96.8	-7	112.4	D103 Y127	D103-R107 WeakPolarHBondContact O-CB 3.26Å; D103-R107 PolarHBondContact O-N 2.57Å; D103-R107 IonicContact OD1-CZ 3.2Å; D103-R107 IonicContact OD1-NE 2.87Å; D103-R107 PolarHBondContact OD1-NE 3.37Å; D103-R107 IonicContact OD1-NH2 2.79Å; D103-R107 PolarHBondContact OD1-NH2 2.9Å; D103-R107 IonicContact OD2-CZ 2.75Å; D103-R107 IonicContact OD2-NE 2.88Å; D103-R107 PolarHBondContact OD2-NE 2.83Å; D103-R107 IonicContact OD2-NH2 2.66Å; D103-R107 PolarHBondContact OD2-NH2 2.93Å; R107-Y127 HydrophobicContact CB-CE1 3.83Å; R107-Y127 WeakPolarHBondContact CD-OH 3.4Å
108	H	89.7	Confident	80.5	Confident	103 Å²	103	62.1 Å²	62.1	48%	0.477	31%	0.312	S	S	.	.	S	Bend	trans	-134.2	155	176	-59.5	-81.1	0	0	0	109.9	Y127	H108-Y127 HydrophobicContact CB-CD1 3.79Å; H108-Y127 HydrophobicContact CB-CD2 4.46Å; H108-Y127 HydrophobicContact CB-CG 3.74Å; H108-Y127 AromaticContact CD2-CD2 3.63Å; H108-Y127 AromaticContact CD2-CE2 3.8Å; H108-Y127 AromaticContact CD2-CG 3.77Å
109	Q	91.6	Very high	78.4	Confident	62 Å²	62	60 Å²	60	29%	0.29	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-61.3	141.6	176.1	64.9	179	-13.5	0	0	111.1	A22 N23 M31	A22-Q109 HydrophobicContact CB-CB 3.85Å; N23-Q109 PolarHBondContact OD1-OE1 3.21Å; M31-Q109 HydrophobicContact SD-CB 4.03Å
110	P	92.2	Very high	76.6	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-69.2	146.9	169	30.5	-34.7	0	0	0	110.5	K27 L124 V125	K27-P110 WeakPolarHBondContact CD-O 3.25Å; K27-P110 VanDerWaalsContact CE-O 3.28Å; K27-P110 WeakPolarHBondContact CE-O 3.46Å; K27-P110 HydrophobicContact CG-CG 4.37Å; P110-L124 HydrophobicContact CB-CB 4.17Å; P110-L124 HydrophobicContact CB-CD2 4.35Å; P110-L124 HydrophobicContact CG-CD1 4.24Å; P110-L124 HydrophobicContact CG-CD2 4.35Å; P110-V125 CarbonylContact C-O 3.56Å; P110-V125 WeakPolarHBondContact CA-O 3.49Å; P110-V125 VanDerWaalsContact CB-O 3.31Å; P110-V125 WeakPolarHBondContact CB-O 3.47Å
111	L	89.8	Confident	75.6	Confident	59 Å²	59	54.7 Å²	54.7	31%	0.309	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	146.8	-177.8	-60.3	176.2	0	0	0	110.1	L124 V125 F322	L111-L124 CarbonylContact O-C 3.48Å; L111-L124 VanDerWaalsContact O-CA 3.3Å; L111-L124 WeakPolarHBondContact O-CA 3.49Å; L111-V125 PolarHBondContact N-O 3.1Å; L111-V125 PolarHBondContact O-N 2.89Å; L111-F322 HydrophobicContact CD1-CD2 4.21Å; L111-F322 HydrophobicContact CD1-CE1 4.03Å; L111-F322 HydrophobicContact CD1-CE2 3.46Å; L111-F322 VanDerWaalsContact CD1-CE2 3.46Å; L111-F322 HydrophobicContact CD1-CZ 3.35Å
112	W	86.8	Confident	75	Confident	48 Å²	48	60.7 Å²	60.7	18%	0.182	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	128.3	170.3	-74.7	121.3	0	0	0	108.9	E24 L26 S114 K122 F123 L124	E24-W112 PolarHBondContact OE1-NE1 3.29Å; E24-W112 PolarHBondContact OE2-NE1 3.28Å; L26-W112 HydrophobicContact CD2-CH2 4.17Å; L26-W112 HydrophobicContact CD2-CZ2 4.16Å; W112-S114 PolarHBondContact O-N 2.85Å; W112-S114 VanDerWaalsContact O-N 3.11Å; W112-S114 PolarHBondContact O-OG 2.95Å; W112-S114 VanDerWaalsContact O-OG 3.09Å; W112-K122 HydrophobicContact CE3-CB 3.8Å; W112-K122 HydrophobicContact CE3-CD 4.37Å; W112-K122 HydrophobicContact CH2-CB 4.04Å; W112-K122 HydrophobicContact CH2-CD 4.05Å; W112-K122 HydrophobicContact CZ2-CD 4.46Å; W112-K122 HydrophobicContact CZ3-CB 3.3Å; W112-K122 HydrophobicContact CZ3-CD 3.99Å; W112-K122 HydrophobicContact CZ3-CG 4.32Å; W112-F123 VanDerWaalsContact CE3-O 3.3Å; W112-L124 HydrophobicContact CD2-CD2 3.47Å; W112-L124 VanDerWaalsContact CD2-CD2 3.47Å; W112-L124 HydrophobicContact CD2-CG 4.14Å; W112-L124 HydrophobicContact CE3-CD2 3.56Å; W112-L124 HydrophobicContact CE3-CG 3.72Å; W112-L124 HydrophobicContact CG-CD2 3.99Å; W112-L124 HydrophobicContact CH2-CD1 4.17Å; W112-L124 HydrophobicContact CH2-CD2 4.11Å; W112-L124 HydrophobicContact CH2-CG 3.87Å; W112-L124 HydrophobicContact CZ2-CD2 4.07Å; W112-L124 HydrophobicContact CZ2-CG 4.31Å; W112-L124 HydrophobicContact CZ3-CD1 4.33Å; W112-L124 HydrophobicContact CZ3-CD2 3.87Å; W112-L124 HydrophobicContact CZ3-CG 3.56Å
113	D	75.9	Confident	74.8	Confident	25 Å²	25	58.1 Å²	58.1	13%	0.134	32%	0.316	C	S	.	.			trans	-64.1	108.8	164.7	-176.2	-2.3	0	0	0	108.7	T115 F123 V125 G330 D331	D113-T115 VanDerWaalsContact C-N 3.35Å; D113-T115 PolarHBondContact OD1-N 2.95Å; D113-T115 PolarHBondContact OD1-OG1 2.83Å; D113-T115 VanDerWaalsContact OD1-OG1 3.12Å; D113-F123 HydrophobicContact CB-CB 3.97Å; D113-F123 PolarHBondContact N-O 2.7Å; D113-V125 HydrophobicContact CB-CG2 4.25Å; D113-G330 VanDerWaalsContact OD2-CA 3.27Å; D113-G330 WeakPolarHBondContact OD2-CA 3.47Å; D113-D331 PolarHBondContact OD2-N 2.82Å; D113-D331 VanDerWaalsContact OD2-N 3.13Å
114	S	56.9	Low	74.7	Confident	110 Å²	110	56.7 Å²	56.7	77%	0.769	31%	0.308	S	S	*	.			trans	-89.4	-0.1	-165.6	-64.2	0	0	0	0	113.3	W112 R116	W112-S114 PolarHBondContact O-N 2.85Å; W112-S114 VanDerWaalsContact O-N 3.11Å; W112-S114 PolarHBondContact O-OG 2.95Å; W112-S114 VanDerWaalsContact O-OG 3.09Å; S114-R116 VanDerWaalsContact C-N 3.26Å; S114-R116 PolarHBondContact O-N 3.42Å
115	T	52.1	Low	74.7	Confident	55 Å²	55	57.2 Å²	57.2	34%	0.337	31%	0.311	S	S	.	.			trans	-79.4	0.8	-172.1	68	0	0	0	0	114.6	D113 K217 D331	D113-T115 VanDerWaalsContact C-N 3.35Å; D113-T115 PolarHBondContact OD1-N 2.95Å; D113-T115 PolarHBondContact OD1-OG1 2.83Å; D113-T115 VanDerWaalsContact OD1-OG1 3.12Å; T115-K217 WeakPolarHBondContact O-CE 3.31Å; T115-K217 PolarHBondContact O-NZ 3.15Å; T115-D331 VanDerWaalsContact CB-OD1 3.31Å; T115-D331 WeakPolarHBondContact CB-OD1 3.37Å; T115-D331 WeakPolarHBondContact CG2-OD1 3.41Å; T115-D331 PolarHBondContact OG1-OD1 3.04Å
116	R	51	Low	74.8	Confident	67 Å²	67	57.3 Å²	57.3	25%	0.253	31%	0.312	S	S	.	.			trans	-110.7	125.7	-169	-83.5	178.9	166	-82.1	-29.7	116.1	S114 G330 G332 L333 G334	S114-R116 VanDerWaalsContact C-N 3.26Å; S114-R116 PolarHBondContact O-N 3.42Å; R116-G330 PolarHBondContact NE-O 3.09Å; R116-G332 PolarHBondContact NH2-O 3.09Å; R116-L333 VanDerWaalsContact CZ-C 3.4Å; R116-L333 VanDerWaalsContact NH1-C 3.31Å; R116-L333 PolarHBondContact NH1-O 2.94Å; R116-L333 PolarHBondContact NH2-O 3.14Å; R116-G334 VanDerWaalsContact NH2-N 3.17Å
117	G	39	Very low	74.8	Confident	56 Å²	56	60.1 Å²	60.1	58%	0.577	32%	0.322	S	S	*	.			trans	-100.3	137	169.4	0	0	0	0	0	113.6	S119	G117-S119 VanDerWaalsContact C-N 3.28Å; G117-S119 PolarHBondContact O-N 3.44Å
118	K	39.4	Very low	74.9	Confident	222 Å²	222	56 Å²	56	97%	0.965	31%	0.309	S	S	*	.	S	Bend	trans	59.4	-22.7	159.8	-65.8	-172.4	176.9	-178.4	0	120.8
119	S	47.7	Very low	75	Confident	42 Å²	42	52.8 Å²	52.8	29%	0.294	29%	0.293	S	S	.	.			trans	-77.2	138.4	172.5	-170.6	0	0	0	0	110.8	G117 S121 S335	G117-S119 VanDerWaalsContact C-N 3.28Å; G117-S119 PolarHBondContact O-N 3.44Å; S119-S121 VanDerWaalsContact C-N 3.33Å; S119-S121 PolarHBondContact O-N 2.82Å; S119-S335 PolarHBondContact OG-O 3.38Å
120	G	56.3	Low	75.1	Confident	69 Å²	69	51.7 Å²	51.7	71%	0.711	29%	0.288	S	S	*	.	S	Bend	trans	-70.2	-18.7	-162.5	0	0	0	0	0	116.5	K122	G120-K122 PolarHBondContact O-N 3.41Å
121	S	71.1	Confident	75.2	Confident	15 Å²	15	51.8 Å²	51.8	11%	0.105	29%	0.288	C	S	.	.			trans	-80.7	110.5	177.4	169.2	0	0	0	0	110.9	S119 F123 K134 T135	S119-S121 VanDerWaalsContact C-N 3.33Å; S119-S121 PolarHBondContact O-N 2.82Å; S121-F123 VanDerWaalsContact OG-CZ 3.28Å; S121-F123 WeakPolarHBondContact OG-CZ 3.44Å; S121-K134 WeakPolarHBondContact OG-CE 3.42Å; S121-K134 WeakPolarHBondContact OG-CG 3.37Å; S121-T135 PolarHBondContact OG-O 3.16Å
122	K	83.6	Confident	75.5	Confident	125 Å²	125	49 Å²	49	54%	0.543	27%	0.274	S	S	.	.			trans	-96.8	150.6	173.3	-57.9	-179	179.9	179.8	0	111.6	W112 G120 T135	W112-K122 HydrophobicContact CE3-CB 3.8Å; W112-K122 HydrophobicContact CE3-CD 4.37Å; W112-K122 HydrophobicContact CH2-CB 4.04Å; W112-K122 HydrophobicContact CH2-CD 4.05Å; W112-K122 HydrophobicContact CZ2-CD 4.46Å; W112-K122 HydrophobicContact CZ3-CB 3.3Å; W112-K122 HydrophobicContact CZ3-CD 3.99Å; W112-K122 HydrophobicContact CZ3-CG 4.32Å; G120-K122 PolarHBondContact O-N 3.41Å; K122-T135 WeakPolarHBondContact O-CB 3.22Å; K122-T135 PolarHBondContact O-N 2.81Å; K122-T135 PolarHBondContact O-OG1 3.38Å
123	F	89.3	Confident	75.9	Confident	2 Å²	2	46.8 Å²	46.8	1%	0.009	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	127.9	-179.4	-65	-82.5	0	0	0	112.1	W112 D113 S121 V132 K134 G330 L333	W112-F123 VanDerWaalsContact CE3-O 3.3Å; D113-F123 HydrophobicContact CB-CB 3.97Å; D113-F123 PolarHBondContact N-O 2.7Å; S121-F123 VanDerWaalsContact OG-CZ 3.28Å; S121-F123 WeakPolarHBondContact OG-CZ 3.44Å; F123-V132 HydrophobicContact CB-CG1 4.39Å; F123-V132 HydrophobicContact CD1-CG1 3.65Å; F123-V132 HydrophobicContact CE1-CG1 4.48Å; F123-V132 HydrophobicContact CG-CG1 4.44Å; F123-K134 HydrophobicContact CD1-CB 3.93Å; F123-K134 HydrophobicContact CD1-CG 4.11Å; F123-K134 HydrophobicContact CE1-CB 3.48Å; F123-K134 VanDerWaalsContact CE1-CB 3.48Å; F123-K134 HydrophobicContact CE1-CD 3.7Å; F123-K134 HydrophobicContact CE1-CG 3.29Å; F123-K134 HydrophobicContact CZ-CB 4.39Å; F123-K134 HydrophobicContact CZ-CD 3.88Å; F123-K134 HydrophobicContact CZ-CG 3.7Å; F123-G330 VanDerWaalsContact CG-CA 3.44Å; F123-L333 HydrophobicContact CD1-CD1 4.01Å; F123-L333 HydrophobicContact CE1-CB 4.19Å; F123-L333 HydrophobicContact CE1-CD1 3.12Å; F123-L333 HydrophobicContact CE1-CG 4.22Å; F123-L333 HydrophobicContact CE2-CB 3.71Å; F123-L333 HydrophobicContact CE2-CD1 4.13Å; F123-L333 HydrophobicContact CE2-CG 4.49Å; F123-L333 HydrophobicContact CZ-CB 3.32Å; F123-L333 HydrophobicContact CZ-CD1 3.23Å; F123-L333 HydrophobicContact CZ-CG 3.84Å
124	L	92	Very high	76.7	Confident	2 Å²	2	46 Å²	46	1%	0.01	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	140.8	164.8	-74.1	171.3	0	0	0	109.3	K27 L30 P110 L111 W112 V132 A133	K27-L124 HydrophobicContact CD-CD2 4.36Å; K27-L124 HydrophobicContact CG-CD1 4.37Å; K27-L124 HydrophobicContact CG-CD2 4.12Å; L30-L124 HydrophobicContact CD2-CD1 3.88Å; P110-L124 HydrophobicContact CB-CB 4.17Å; P110-L124 HydrophobicContact CB-CD2 4.35Å; P110-L124 HydrophobicContact CG-CD1 4.24Å; P110-L124 HydrophobicContact CG-CD2 4.35Å; L111-L124 CarbonylContact O-C 3.48Å; L111-L124 VanDerWaalsContact O-CA 3.3Å; L111-L124 WeakPolarHBondContact O-CA 3.49Å; W112-L124 HydrophobicContact CD2-CD2 3.47Å; W112-L124 VanDerWaalsContact CD2-CD2 3.47Å; W112-L124 HydrophobicContact CD2-CG 4.14Å; W112-L124 HydrophobicContact CE3-CD2 3.56Å; W112-L124 HydrophobicContact CE3-CG 3.72Å; W112-L124 HydrophobicContact CG-CD2 3.99Å; W112-L124 HydrophobicContact CH2-CD1 4.17Å; W112-L124 HydrophobicContact CH2-CD2 4.11Å; W112-L124 HydrophobicContact CH2-CG 3.87Å; W112-L124 HydrophobicContact CZ2-CD2 4.07Å; W112-L124 HydrophobicContact CZ2-CG 4.31Å; W112-L124 HydrophobicContact CZ3-CD1 4.33Å; W112-L124 HydrophobicContact CZ3-CD2 3.87Å; W112-L124 HydrophobicContact CZ3-CG 3.56Å; L124-V132 CarbonylContact O-C 3.57Å; L124-V132 WeakPolarHBondContact O-CA 3.21Å; L124-A133 HydrophobicContact CB-CB 4.06Å; L124-A133 PolarHBondContact N-O 3.38Å; L124-A133 PolarHBondContact O-N 2.85Å
125	V	92.9	Very high	78.5	Confident	12 Å²	12	41.9 Å²	41.9	7%	0.073	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	134.7	176.8	-171.6	0	0	0	0	108.1	P110 L111 D113 R129 S328	P110-V125 CarbonylContact C-O 3.56Å; P110-V125 WeakPolarHBondContact CA-O 3.49Å; P110-V125 VanDerWaalsContact CB-O 3.31Å; P110-V125 WeakPolarHBondContact CB-O 3.47Å; L111-V125 PolarHBondContact N-O 3.1Å; L111-V125 PolarHBondContact O-N 2.89Å; D113-V125 HydrophobicContact CB-CG2 4.25Å; V125-R129 HydrophobicContact CG1-CB 4.43Å; V125-R129 HydrophobicContact CG1-CG 4.32Å; V125-S328 WeakPolarHBondContact CG1-OG 3.42Å; V125-S328 WeakPolarHBondContact CG2-OG 3.29Å
126	T	94.1	Very high	80.5	Confident	3 Å²	3	39.7 Å²	39.7	2%	0.018	22%	0.217	C	C	.	.			trans	-64.7	152.8	174.1	55.5	0	0	0	0	110.7	S104 F105 N128 R129 Q130 F131	S104-T126 WeakPolarHBondContact O-CB 3.46Å; S104-T126 WeakPolarHBondContact O-CG2 2.84Å; F105-T126 HydrophobicContact CD1-CG2 3.88Å; F105-T126 HydrophobicContact CD2-CG2 4.03Å; F105-T126 HydrophobicContact CE1-CG2 3.62Å; F105-T126 HydrophobicContact CE2-CG2 3.78Å; F105-T126 HydrophobicContact CG-CG2 4.07Å; F105-T126 HydrophobicContact CZ-CG2 3.55Å; T126-N128 WeakPolarHBondContact CB-OD1 3.4Å; T126-N128 PolarHBondContact O-N 2.88Å; T126-N128 VanDerWaalsContact O-N 3.11Å; T126-N128 PolarHBondContact OG1-OD1 3.3Å; T126-R129 WeakPolarHBondContact O-CA 3.37Å; T126-R129 PolarHBondContact O-N 2.92Å; T126-Q130 PolarHBondContact OG1-N 3.14Å; T126-F131 HydrophobicContact CG2-CB 3.91Å; T126-F131 HydrophobicContact CG2-CD2 4.26Å; T126-F131 PolarHBondContact N-O 2.91Å; T126-F131 PolarHBondContact OG1-N 3.15Å; T126-F131 VanDerWaalsContact OG1-N 3.16Å; T126-F131 PolarHBondContact OG1-O 3.35Å
127	Y	90.5	Very high	82.5	Confident	65 Å²	65	38.9 Å²	38.9	26%	0.255	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.8	-174.8	74.2	-86.8	0	0	0	113.2	D103 S104 R107 H108 R129	D103-Y127 PolarHBondContact OD2-OH 3.32Å; S104-Y127 WeakPolarHBondContact O-CD1 3.3Å; R107-Y127 HydrophobicContact CB-CE1 3.83Å; R107-Y127 WeakPolarHBondContact CD-OH 3.4Å; H108-Y127 HydrophobicContact CB-CD1 3.79Å; H108-Y127 HydrophobicContact CB-CD2 4.46Å; H108-Y127 HydrophobicContact CB-CG 3.74Å; H108-Y127 AromaticContact CD2-CD2 3.63Å; H108-Y127 AromaticContact CD2-CE2 3.8Å; H108-Y127 AromaticContact CD2-CG 3.77Å; Y127-R129 VanDerWaalsContact C-N 3.33Å
128	N	91	Very high	85.1	Confident	35 Å²	35	39.5 Å²	39.5	19%	0.187	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	8.7	175.8	67.4	-9.7	0	0	0	113.6	S104 T126 Q130 P191	S104-N128 PolarHBondContact OG-ND2 3.25Å; T126-N128 WeakPolarHBondContact CB-OD1 3.4Å; T126-N128 PolarHBondContact O-N 2.88Å; T126-N128 VanDerWaalsContact O-N 3.11Å; T126-N128 PolarHBondContact OG1-OD1 3.3Å; N128-Q130 PolarHBondContact ND2-NE2 3.5Å; N128-Q130 PolarHBondContact O-N 3.5Å; N128-Q130 PolarHBondContact OD1-N 2.94Å; N128-P191 WeakPolarHBondContact O-CB 3.35Å
129	R	91.2	Very high	87.6	Confident	35 Å²	35	33.8 Å²	33.8	13%	0.132	19%	0.194	C	C	.	.	S	Bend	trans	58.9	9.6	175.7	-59.5	169.3	173.4	-88.5	7.8	116.1	V125 T126 Y127 N187 P191 M326	V125-R129 HydrophobicContact CG1-CB 4.43Å; V125-R129 HydrophobicContact CG1-CG 4.32Å; T126-R129 WeakPolarHBondContact O-CA 3.37Å; T126-R129 PolarHBondContact O-N 2.92Å; Y127-R129 VanDerWaalsContact C-N 3.33Å; R129-N187 VanDerWaalsContact O-CB 3.24Å; R129-N187 WeakPolarHBondContact O-CB 3.31Å; R129-N187 PolarHBondContact O-ND2 3.24Å; R129-P191 HydrophobicContact CB-CB 3.9Å; R129-M326 PolarHBondContact NH1-O 3.13Å; R129-M326 PolarHBondContact NH2-O 3.08Å
130	Q	93.8	Very high	89.9	Confident	39 Å²	39	33.4 Å²	33.4	18%	0.182	19%	0.188	C	C	.	.	S	Bend	trans	-75	-30.5	-178.4	-64.6	-170.9	20.4	0	0	114.1	T126 N128 N187 P191 L432	T126-Q130 PolarHBondContact OG1-N 3.14Å; N128-Q130 PolarHBondContact ND2-NE2 3.5Å; N128-Q130 PolarHBondContact O-N 3.5Å; N128-Q130 PolarHBondContact OD1-N 2.94Å; Q130-N187 WeakPolarHBondContact O-CB 3.24Å; Q130-N187 PolarHBondContact O-N 3.42Å; Q130-P191 HydrophobicContact CG-CB 4.45Å; Q130-P191 HydrophobicContact CG-CG 4.34Å; Q130-L432 HydrophobicContact CG-CD2 4Å
131	F	95.6	Very high	91.8	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.009	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	145.8	-174.3	-51.3	-63.8	0	0	0	112.1	V96 Y101 S104 F105 T126 L168 V184 M185	V96-F131 HydrophobicContact CG1-CE1 4.1Å; V96-F131 HydrophobicContact CG1-CZ 3.84Å; V96-F131 HydrophobicContact CG2-CE1 4.21Å; Y101-F131 HydrophobicContact CD2-CD1 4.44Å; Y101-F131 HydrophobicContact CD2-CD2 4.22Å; Y101-F131 HydrophobicContact CD2-CE1 4.26Å; Y101-F131 HydrophobicContact CD2-CE2 4.02Å; Y101-F131 HydrophobicContact CD2-CG 4.44Å; Y101-F131 HydrophobicContact CD2-CZ 4.05Å; S104-F131 WeakPolarHBondContact OG-CE2 3.12Å; F105-F131 HydrophobicContact CE2-CB 4.06Å; F105-F131 HydrophobicContact CE2-CD2 4.18Å; F105-F131 HydrophobicContact CE2-CG 4.34Å; F105-F131 HydrophobicContact CZ-CB 4.09Å; T126-F131 HydrophobicContact CG2-CB 3.91Å; T126-F131 HydrophobicContact CG2-CD2 4.26Å; T126-F131 PolarHBondContact N-O 2.91Å; T126-F131 PolarHBondContact OG1-N 3.15Å; T126-F131 VanDerWaalsContact OG1-N 3.16Å; T126-F131 PolarHBondContact OG1-O 3.35Å; F131-L168 HydrophobicContact CD1-CD1 3.26Å; F131-L168 HydrophobicContact CE1-CD1 3.35Å; F131-L168 HydrophobicContact CG-CD1 4.32Å; F131-L168 HydrophobicContact CZ-CD1 4.45Å; F131-V184 HydrophobicContact CB-CG1 4.23Å; F131-M185 WeakPolarHBondContact CA-O 3.47Å
132	V	94.8	Very high	92.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	131.8	176.6	176.7	0	0	0	0	108.7	F123 L124 V184 M185 N187 S328 A329	F123-V132 HydrophobicContact CB-CG1 4.39Å; F123-V132 HydrophobicContact CD1-CG1 3.65Å; F123-V132 HydrophobicContact CE1-CG1 4.48Å; F123-V132 HydrophobicContact CG-CG1 4.44Å; L124-V132 CarbonylContact O-C 3.57Å; L124-V132 WeakPolarHBondContact O-CA 3.21Å; V132-V184 WeakPolarHBondContact O-CA 3.45Å; V132-M185 HydrophobicContact CB-CG 4.35Å; V132-M185 PolarHBondContact N-O 3.24Å; V132-M185 PolarHBondContact O-N 3.02Å; V132-N187 HydrophobicContact CG2-CB 3.93Å; V132-S328 WeakPolarHBondContact CG2-OG 3.33Å; V132-A329 HydrophobicContact CG2-CB 4.26Å
133	A	95.2	Very high	93.5	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.008	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	104.4	176.2	0	0	0	0	0	109.3	F105 L124 I182 L183 V184	F105-A133 HydrophobicContact CE1-CB 4.41Å; L124-A133 HydrophobicContact CB-CB 4.06Å; L124-A133 PolarHBondContact N-O 3.38Å; L124-A133 PolarHBondContact O-N 2.85Å; A133-I182 HydrophobicContact CB-CG2 3.55Å; A133-L183 WeakPolarHBondContact CA-O 3.44Å; A133-V184 HydrophobicContact CB-CG2 3.87Å
134	K	93.9	Very high	93.8	Very high	8 Å²	8	30 Å²	30	4%	0.035	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	131.3	179.1	-177	175.6	-178.9	-164.3	0	110.2	S121 F123 I136 E140 I182 L183 M185 D455	S121-K134 WeakPolarHBondContact OG-CE 3.42Å; S121-K134 WeakPolarHBondContact OG-CG 3.37Å; F123-K134 HydrophobicContact CD1-CB 3.93Å; F123-K134 HydrophobicContact CD1-CG 4.11Å; F123-K134 HydrophobicContact CE1-CB 3.48Å; F123-K134 VanDerWaalsContact CE1-CB 3.48Å; F123-K134 HydrophobicContact CE1-CD 3.7Å; F123-K134 HydrophobicContact CE1-CG 3.29Å; F123-K134 HydrophobicContact CZ-CB 4.39Å; F123-K134 HydrophobicContact CZ-CD 3.88Å; F123-K134 HydrophobicContact CZ-CG 3.7Å; K134-I136 HydrophobicContact CB-CG2 4.23Å; K134-I136 HydrophobicContact CD-CG2 3.63Å; K134-I136 HydrophobicContact CG-CG2 3.63Å; K134-I136 PolarHBondContact O-N 2.9Å; K134-E140 IonicContact NZ-OE1 3.62Å; K134-E140 PolarHBondContact NZ-OE1 3.29Å; K134-I182 CarbonylContact O-C 3.55Å; K134-I182 WeakPolarHBondContact O-CA 3.32Å; K134-L183 PolarHBondContact N-O 3.32Å; K134-L183 PolarHBondContact O-N 3Å; K134-M185 HydrophobicContact CB-CE 3.94Å; K134-D455 IonicContact NZ-OD1 2.71Å; K134-D455 PolarHBondContact NZ-OD1 2.96Å
135	T	93.9	Very high	94	Very high	25 Å²	25	32.8 Å²	32.8	15%	0.153	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	117.7	164.3	-47.7	0	0	0	0	108.9	S121 K122 Y181 I182	S121-T135 PolarHBondContact OG-O 3.16Å; K122-T135 WeakPolarHBondContact O-CB 3.22Å; K122-T135 PolarHBondContact O-N 2.81Å; K122-T135 PolarHBondContact O-OG1 3.38Å; T135-Y181 CarbonylContact C-O 3.59Å; T135-Y181 WeakPolarHBondContact CA-O 3.25Å; T135-I182 HydrophobicContact CG2-CD1 4.42Å
136	I	94.3	Very high	94.1	Very high	9 Å²	9	35.9 Å²	35.9	5%	0.046	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	160.7	-179	62.1	167.9	0	0	0	112	K134 E140 V141 L170 Y181 L183 L457	K134-I136 HydrophobicContact CB-CG2 4.23Å; K134-I136 HydrophobicContact CD-CG2 3.63Å; K134-I136 HydrophobicContact CG-CG2 3.63Å; K134-I136 PolarHBondContact O-N 2.9Å; I136-E140 HydrophobicContact CB-CB 3.89Å; I136-E140 HydrophobicContact CD1-CB 4.15Å; I136-E140 HydrophobicContact CG1-CB 4.48Å; I136-E140 HydrophobicContact CG2-CB 4.48Å; I136-V141 HydrophobicContact CD1-CG2 3.53Å; I136-V141 HydrophobicContact CG1-CG2 3.92Å; I136-L170 HydrophobicContact CD1-CD1 3.93Å; I136-Y181 PolarHBondContact N-O 2.67Å; I136-L183 HydrophobicContact CD1-CB 3.95Å; I136-L183 HydrophobicContact CD1-CD2 4.31Å; I136-L183 HydrophobicContact CG1-CB 4.34Å; I136-L183 HydrophobicContact CG2-CB 4.23Å; I136-L457 HydrophobicContact CD1-CD1 4.46Å
137	S	93.5	Very high	94.1	Very high	49 Å²	49	35.7 Å²	35.7	34%	0.343	18%	0.18	S	C	.	.			trans	-77.8	162.5	173	59.5	0	0	0	0	112.5	E139 E140 V141	S137-E139 VanDerWaalsContact C-N 3.25Å; S137-E139 PolarHBondContact O-N 3.46Å; S137-E140 WeakPolarHBondContact CB-OE2 3.09Å; S137-E140 PolarHBondContact N-OE2 2.83Å; S137-E140 PolarHBondContact O-N 3.43Å; S137-E140 WeakPolarHBondContact OG-CG 3.35Å; S137-E140 PolarHBondContact OG-N 3.38Å; S137-E140 PolarHBondContact OG-OE2 3.45Å; S137-V141 WeakPolarHBondContact O-CG2 3.19Å; S137-V141 PolarHBondContact O-N 3.17Å
138	S	93.5	Very high	94.5	Very high	70 Å²	70	32.7 Å²	32.7	49%	0.49	17%	0.168	S	C	.	.	H	α-helix	trans	-61.3	-33.6	171.7	47.2	0	0	0	0	112.6	V141 E142	S138-V141 WeakPolarHBondContact O-CB 3.35Å; S138-V141 PolarHBondContact O-N 2.86Å; S138-E142 PolarHBondContact O-N 3.44Å
139	E	92.3	Very high	94.8	Very high	101 Å²	101	34.7 Å²	34.7	47%	0.472	18%	0.176	S	C	.	.	H	α-helix	trans	-63.9	-39.7	174	-57.2	-172.5	165.8	0	0	111.9	S137 E142 Q143 R463	S137-E139 VanDerWaalsContact C-N 3.25Å; S137-E139 PolarHBondContact O-N 3.46Å; E139-E142 PolarHBondContact O-N 3.14Å; E139-Q143 PolarHBondContact O-N 2.92Å; E139-R463 IonicContact OE1-CZ 3.8Å; E139-R463 IonicContact OE1-NH1 2.72Å; E139-R463 PolarHBondContact OE1-NH1 2.85Å; E139-R463 IonicContact OE1-NH2 2.67Å; E139-R463 PolarHBondContact OE1-NH2 3.47Å; E139-R463 IonicContact OE2-CZ 2.71Å; E139-R463 IonicContact OE2-NH1 3.27Å; E139-R463 PolarHBondContact OE2-NH1 3.29Å
140	E	94.6	Very high	95	Very high	34 Å²	34	37.3 Å²	37.3	16%	0.159	19%	0.19	C	C	.	.	H	α-helix	trans	-68.8	-32.4	173.5	-78.2	167.9	110.6	0	0	112.4	K134 I136 S137 M144 L457	K134-E140 IonicContact NZ-OE1 3.62Å; K134-E140 PolarHBondContact NZ-OE1 3.29Å; I136-E140 HydrophobicContact CB-CB 3.89Å; I136-E140 HydrophobicContact CD1-CB 4.15Å; I136-E140 HydrophobicContact CG1-CB 4.48Å; I136-E140 HydrophobicContact CG2-CB 4.48Å; S137-E140 WeakPolarHBondContact CB-OE2 3.09Å; S137-E140 PolarHBondContact N-OE2 2.83Å; S137-E140 PolarHBondContact O-N 3.43Å; S137-E140 WeakPolarHBondContact OG-CG 3.35Å; S137-E140 PolarHBondContact OG-N 3.38Å; S137-E140 PolarHBondContact OG-OE2 3.45Å; E140-M144 WeakPolarHBondContact O-CB 3.3Å; E140-M144 PolarHBondContact O-N 3.27Å; E140-L457 HydrophobicContact CB-CB 4.25Å; E140-L457 HydrophobicContact CB-CD1 3.96Å; E140-L457 HydrophobicContact CG-CB 3.93Å; E140-L457 HydrophobicContact CG-CD1 4.33Å
141	V	96.4	Very high	95.3	Very high	10 Å²	10	35.4 Å²	35.4	6%	0.061	18%	0.181	C	C	.	.	H	α-helix	trans	-66.3	-44.9	173.4	171.7	0	0	0	0	110.9	I136 S137 S138 Q143 M144 H145 L170 Y181	I136-V141 HydrophobicContact CD1-CG2 3.53Å; I136-V141 HydrophobicContact CG1-CG2 3.92Å; S137-V141 WeakPolarHBondContact O-CG2 3.19Å; S137-V141 PolarHBondContact O-N 3.17Å; S138-V141 WeakPolarHBondContact O-CB 3.35Å; S138-V141 PolarHBondContact O-N 2.86Å; V141-Q143 VanDerWaalsContact C-N 3.34Å; V141-M144 WeakPolarHBondContact O-CB 3.48Å; V141-M144 PolarHBondContact O-N 3.41Å; V141-H145 PolarHBondContact O-CD2 2.88Å; V141-H145 PolarHBondContact O-N 3.32Å; V141-L170 HydrophobicContact CG1-CD2 4.42Å; V141-L170 HydrophobicContact CG2-CD1 4.38Å; V141-Y181 HydrophobicContact CG2-CD1 3.59Å; V141-Y181 HydrophobicContact CG2-CD2 4.34Å; V141-Y181 HydrophobicContact CG2-CE1 4.28Å; V141-Y181 HydrophobicContact CG2-CG 3.61Å
142	E	95.5	Very high	95.4	Very high	119 Å²	119	36.8 Å²	36.8	56%	0.556	19%	0.187	S	C	*	.	H	α-helix	trans	-60.5	-45.5	175.6	-162.2	-161.4	153	0	0	110.6	S138 E139 M144 H145 Q146	S138-E142 PolarHBondContact O-N 3.44Å; E139-E142 PolarHBondContact O-N 3.14Å; E142-M144 VanDerWaalsContact C-N 3.35Å; E142-M144 PolarHBondContact O-N 3.32Å; E142-H145 PolarHBondContact O-N 3.03Å; E142-Q146 WeakPolarHBondContact O-CG 3.43Å; E142-Q146 PolarHBondContact O-N 3.25Å; E142-Q146 PolarHBondContact OE1-NE2 2.79Å
143	Q	94.8	Very high	95.5	Very high	11 Å²	11	39.1 Å²	39.1	5%	0.051	20%	0.203	C	C	.	.	H	α-helix	trans	-63.6	-38.4	175.9	-177	52.6	56.8	0	0	112.6	E139 V141 H145 Q146 M147 L260 L457 R459	E139-Q143 PolarHBondContact O-N 2.92Å; V141-Q143 VanDerWaalsContact C-N 3.34Å; Q143-H145 VanDerWaalsContact C-N 3.34Å; Q143-H145 PolarHBondContact O-N 3.03Å; Q143-Q146 PolarHBondContact O-N 2.93Å; Q143-M147 WeakPolarHBondContact O-CG 3.43Å; Q143-M147 PolarHBondContact O-N 3.48Å; Q143-L260 HydrophobicContact CG-CD2 4.07Å; Q143-L457 WeakPolarHBondContact CG-O 3.39Å; Q143-R459 HydrophobicContact CG-CB 4.49Å; Q143-R459 VanDerWaalsContact OE1-CB 3.23Å
144	M	96.2	Very high	95.6	Very high	1 Å²	1	41 Å²	41	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-60.6	-43.9	175	-174.4	67	-137.6	0	0	110.9	F87 E140 V141 E142 M147 L148 F167 L170 L183 L457	F87-M144 HydrophobicContact CZ-CE 4.48Å; E140-M144 WeakPolarHBondContact O-CB 3.3Å; E140-M144 PolarHBondContact O-N 3.27Å; V141-M144 WeakPolarHBondContact O-CB 3.48Å; V141-M144 PolarHBondContact O-N 3.41Å; E142-M144 VanDerWaalsContact C-N 3.35Å; E142-M144 PolarHBondContact O-N 3.32Å; M144-M147 HydrophobicContact CE-CE 4.25Å; M144-M147 PolarHBondContact O-N 2.94Å; M144-M147 HydrophobicContact SD-CE 3.86Å; M144-L148 HydrophobicContact CE-CB 4.47Å; M144-L148 HydrophobicContact CE-CD1 3.55Å; M144-L148 WeakPolarHBondContact O-CB 3.28Å; M144-L148 PolarHBondContact O-N 2.89Å; M144-L148 VanDerWaalsContact O-N 3.14Å; M144-F167 HydrophobicContact CE-CD2 3.61Å; M144-F167 HydrophobicContact CE-CE2 3.99Å; M144-F167 HydrophobicContact CE-CG 4.26Å; M144-F167 HydrophobicContact SD-CD2 3.9Å; M144-F167 HydrophobicContact SD-CE2 3.82Å; M144-F167 HydrophobicContact SD-CG 4.38Å; M144-F167 HydrophobicContact SD-CZ 4.25Å; M144-L170 HydrophobicContact CB-CD2 4.46Å; M144-L170 HydrophobicContact CG-CD2 4.06Å; M144-L183 HydrophobicContact SD-CD1 4.49Å; M144-L457 HydrophobicContact CB-CD2 4.22Å; M144-L457 HydrophobicContact SD-CD2 3.98Å
145	H	96	Very high	95.8	Very high	60 Å²	60	40.8 Å²	40.8	28%	0.278	21%	0.209	S	C	.	.	H	α-helix	trans	-64.7	-39.2	174.1	-85.6	-76.4	0	0	0	113	Y82 C83 V141 E142 Q143 M147	Y82-H145 AromaticContact CD1-CE1 3.76Å; Y82-H145 AromaticContact CD1-NE2 3.14Å; Y82-H145 WeakPolarHBondContact CD1-NE2 3.23Å; Y82-H145 AromaticContact CE1-NE2 3.81Å; Y82-H145 AromaticContact CG-NE2 3.72Å; C83-H145 PolarHBondContact SG-CE1 3.39Å; V141-H145 PolarHBondContact O-CD2 2.88Å; V141-H145 PolarHBondContact O-N 3.32Å; E142-H145 PolarHBondContact O-N 3.03Å; Q143-H145 VanDerWaalsContact C-N 3.34Å; Q143-H145 PolarHBondContact O-N 3.03Å; H145-M147 PolarHBondContact O-N 3.14Å
146	Q	94.8	Very high	95.9	Very high	76 Å²	76	41.9 Å²	41.9	36%	0.355	22%	0.215	S	C	.	.	H	α-helix	trans	-64.1	-22.2	178.9	-75	176.8	31.8	0	0	114.1	E142 Q143	E142-Q146 WeakPolarHBondContact O-CG 3.43Å; E142-Q146 PolarHBondContact O-N 3.25Å; E142-Q146 PolarHBondContact OE1-NE2 2.79Å; Q143-Q146 PolarHBondContact O-N 2.93Å
147	M	95.2	Very high	96	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-115.4	1.2	-178	75.3	-174.7	-146	0	0	114.3	Q143 M144 H145 Y151 F167 L260 I456 L457	Q143-M147 WeakPolarHBondContact O-CG 3.43Å; Q143-M147 PolarHBondContact O-N 3.48Å; M144-M147 HydrophobicContact CE-CE 4.25Å; M144-M147 PolarHBondContact O-N 2.94Å; M144-M147 HydrophobicContact SD-CE 3.86Å; H145-M147 PolarHBondContact O-N 3.14Å; M147-Y151 WeakPolarHBondContact O-CB 3.26Å; M147-Y151 PolarHBondContact O-N 3.49Å; M147-F167 HydrophobicContact CE-CE2 3.71Å; M147-F167 HydrophobicContact CE-CZ 4.29Å; M147-L260 HydrophobicContact SD-CD1 3.79Å; M147-I456 HydrophobicContact CE-CD1 3.82Å; M147-I456 HydrophobicContact CE-CG1 4.29Å; M147-L457 HydrophobicContact CE-CD2 3.54Å; M147-L457 HydrophobicContact SD-CD2 3.88Å
148	L	97.6	Very high	96	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-69.6	-34.7	-169.8	-177	64.6	0	0	0	113.2	F55 C83 V86 F87 L90 M144 Y152	F55-L148 HydrophobicContact CD1-CB 4.29Å; F55-L148 HydrophobicContact CD1-CD2 3.99Å; F55-L148 HydrophobicContact CD1-CG 3.8Å; F55-L148 HydrophobicContact CE1-CG 4.15Å; C83-L148 HydrophobicContact CB-CD2 3.71Å; C83-L148 WeakPolarHBondContact SG-CD2 3.46Å; V86-L148 HydrophobicContact CB-CD2 4.46Å; V86-L148 HydrophobicContact CG1-CD1 4.09Å; V86-L148 HydrophobicContact CG1-CD2 4.15Å; V86-L148 HydrophobicContact CG1-CG 4.1Å; F87-L148 HydrophobicContact CZ-CD1 4.21Å; L90-L148 HydrophobicContact CD1-CD1 4.36Å; M144-L148 HydrophobicContact CE-CB 4.47Å; M144-L148 HydrophobicContact CE-CD1 3.55Å; M144-L148 WeakPolarHBondContact O-CB 3.28Å; M144-L148 PolarHBondContact O-N 2.89Å; M144-L148 VanDerWaalsContact O-N 3.14Å; L148-Y152 VanDerWaalsContact O-CB 3.27Å; L148-Y152 WeakPolarHBondContact O-CB 3.34Å; L148-Y152 PolarHBondContact O-N 3.09Å
149	E	97.1	Very high	96.1	Very high	77 Å²	77	52.3 Å²	52.3	36%	0.36	26%	0.256	S	S	.	.	H	α-helix	trans	-70.1	-44.4	179.3	-167.6	173.2	164.9	0	0	110.3	K52 F55 Y152 S153	K52-E149 IonicContact NZ-OE1 3.41Å; K52-E149 PolarHBondContact NZ-OE1 3.12Å; K52-E149 IonicContact NZ-OE2 3.78Å; K52-E149 PolarHBondContact NZ-OE2 2.85Å; F55-E149 HydrophobicContact CD1-CB 4.05Å; F55-E149 HydrophobicContact CE1-CB 4.17Å; F55-E149 HydrophobicContact CE1-CG 4.41Å; F55-E149 HydrophobicContact CG-CB 4.46Å; F55-E149 HydrophobicContact CZ-CG 4.4Å; E149-Y152 PolarHBondContact O-N 3.01Å; E149-S153 WeakPolarHBondContact O-CB 3.45Å; E149-S153 PolarHBondContact O-N 3.32Å
150	E	97.1	Very high	96.1	Very high	89 Å²	89	47.7 Å²	47.7	42%	0.416	24%	0.235	S	C	.	.	H	α-helix	trans	-64.1	-47.7	174.9	-66.4	70.2	-158.7	0	0	111.2	S153 Y154 F254	E150-S153 WeakPolarHBondContact O-CB 3.42Å; E150-S153 PolarHBondContact O-N 2.87Å; E150-Y154 WeakPolarHBondContact O-CB 3.5Å; E150-Y154 PolarHBondContact O-N 3.18Å; E150-F254 HydrophobicContact CB-CE2 4.08Å
151	Y	98.2	Very high	96.1	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-59.1	-48.7	176.1	175.6	-97.5	0	0	0	111.1	L90 F94 M147 S153 Y154 I155 P165 F167 F254	L90-Y151 HydrophobicContact CD1-CD1 4.33Å; L90-Y151 HydrophobicContact CD1-CE1 3.98Å; L90-Y151 HydrophobicContact CD2-CD1 4.34Å; L90-Y151 HydrophobicContact CD2-CE1 3.9Å; F94-Y151 WeakPolarHBondContact CZ-OH 3.49Å; M147-Y151 WeakPolarHBondContact O-CB 3.26Å; M147-Y151 PolarHBondContact O-N 3.49Å; Y151-S153 VanDerWaalsContact C-N 3.32Å; Y151-S153 PolarHBondContact O-N 3.07Å; Y151-Y154 WeakPolarHBondContact O-CB 3.49Å; Y151-Y154 PolarHBondContact O-N 2.9Å; Y151-I155 HydrophobicContact CD1-CG1 4.16Å; Y151-I155 HydrophobicContact CD2-CG1 4.35Å; Y151-I155 HydrophobicContact CE1-CG1 3.77Å; Y151-I155 HydrophobicContact CE2-CD1 4.01Å; Y151-I155 HydrophobicContact CE2-CG1 4Å; Y151-I155 HydrophobicContact CG-CG1 4.43Å; Y151-I155 VanDerWaalsContact O-CG1 3.31Å; Y151-I155 WeakPolarHBondContact O-CG1 3.31Å; Y151-I155 PolarHBondContact O-N 3.43Å; Y151-P165 PolarHBondContact OH-O 3.44Å; Y151-F167 HydrophobicContact CD1-CD2 4.34Å; Y151-F167 HydrophobicContact CD2-CD2 4.45Å; Y151-F167 HydrophobicContact CD2-CE2 4.45Å; Y151-F167 HydrophobicContact CE1-CB 4.45Å; Y151-F167 AromaticContact CE1-CD2 3.79Å; Y151-F167 HydrophobicContact CE1-CD2 3.79Å; Y151-F167 AromaticContact CE2-CD2 3.9Å; Y151-F167 HydrophobicContact CE2-CD2 3.9Å; Y151-F167 HydrophobicContact CE2-CE2 4.04Å; Y151-F167 AromaticContact CZ-CD2 3.53Å; Y151-F167 PolarHBondContact OH-N 2.7Å; Y151-F167 VanDerWaalsContact OH-N 3.15Å; Y151-F254 HydrophobicContact CD2-CE1 4.3Å; Y151-F254 HydrophobicContact CD2-CZ 4.18Å
152	Y	97.9	Very high	96.1	Very high	31 Å²	31	50.5 Å²	50.5	12%	0.122	25%	0.248	C	C	.	.	H	α-helix	trans	-59.4	-44.3	176.6	177.3	-94.8	0	0	0	111.5	L50 F55 V86 S89 L90 R93 L148 E149 Y154 I155 V156	L50-Y152 HydrophobicContact CD1-CD1 4.3Å; L50-Y152 HydrophobicContact CD1-CD2 4.06Å; L50-Y152 HydrophobicContact CD1-CE1 3.81Å; L50-Y152 HydrophobicContact CD1-CE2 3.55Å; L50-Y152 HydrophobicContact CD1-CG 4.42Å; L50-Y152 VanDerWaalsContact CD1-CZ 3.4Å; F55-Y152 HydrophobicContact CE1-CD1 4.48Å; F55-Y152 HydrophobicContact CE1-CG 4.21Å; F55-Y152 AromaticContact CZ-CD1 3.85Å; F55-Y152 HydrophobicContact CZ-CD1 3.85Å; F55-Y152 AromaticContact CZ-CG 3.99Å; F55-Y152 HydrophobicContact CZ-CG 3.99Å; V86-Y152 HydrophobicContact CG1-CD2 4.11Å; V86-Y152 HydrophobicContact CG1-CG 4.45Å; S89-Y152 PolarHBondContact OG-OH 2.66Å; L90-Y152 HydrophobicContact CD2-CD2 3.84Å; L90-Y152 HydrophobicContact CG-CD2 4.1Å; R93-Y152 PolarHBondContact NE-OH 2.65Å; R93-Y152 PolarHBondContact NH2-OH 2.87Å; L148-Y152 VanDerWaalsContact O-CB 3.27Å; L148-Y152 WeakPolarHBondContact O-CB 3.34Å; L148-Y152 PolarHBondContact O-N 3.09Å; E149-Y152 PolarHBondContact O-N 3.01Å; Y152-Y154 VanDerWaalsContact C-N 3.34Å; Y152-Y154 PolarHBondContact O-N 3.24Å; Y152-I155 PolarHBondContact O-N 2.74Å; Y152-V156 HydrophobicContact CD1-CG2 3.91Å; Y152-V156 HydrophobicContact CE1-CG2 3.55Å; Y152-V156 HydrophobicContact CE2-CG2 4.19Å; Y152-V156 HydrophobicContact CG-CG2 4.39Å; Y152-V156 WeakPolarHBondContact O-CG2 3.42Å; Y152-V156 PolarHBondContact O-N 3.02Å
153	S	97.2	Very high	96.2	Very high	48 Å²	48	45.5 Å²	45.5	34%	0.336	23%	0.225	S	C	.	.	H	α-helix	trans	-59.3	-42	175.3	-171.9	0	0	0	0	112.4	E149 E150 Y151 V156 K157	E149-S153 WeakPolarHBondContact O-CB 3.45Å; E149-S153 PolarHBondContact O-N 3.32Å; E150-S153 WeakPolarHBondContact O-CB 3.42Å; E150-S153 PolarHBondContact O-N 2.87Å; Y151-S153 VanDerWaalsContact C-N 3.32Å; Y151-S153 PolarHBondContact O-N 3.07Å; S153-V156 PolarHBondContact O-N 3.32Å; S153-K157 VanDerWaalsContact O-CG 3.28Å; S153-K157 WeakPolarHBondContact O-CG 3.44Å; S153-K157 PolarHBondContact O-N 3.48Å; S153-K157 VanDerWaalsContact O-N 3.1Å
154	Y	97.8	Very high	96.4	Very high	42 Å²	42	45 Å²	45	17%	0.165	22%	0.223	C	C	.	.	H	α-helix	trans	-63.1	-50.2	175.9	-176.7	-104.5	0	0	0	111.9	E150 Y151 Y152 V156 K157 G158 L164 C250 D251 F254	E150-Y154 WeakPolarHBondContact O-CB 3.5Å; E150-Y154 PolarHBondContact O-N 3.18Å; Y151-Y154 WeakPolarHBondContact O-CB 3.49Å; Y151-Y154 PolarHBondContact O-N 2.9Å; Y152-Y154 VanDerWaalsContact C-N 3.34Å; Y152-Y154 PolarHBondContact O-N 3.24Å; Y154-V156 VanDerWaalsContact C-N 3.3Å; Y154-V156 PolarHBondContact O-N 2.84Å; Y154-K157 PolarHBondContact O-N 2.76Å; Y154-K157 VanDerWaalsContact O-N 3.15Å; Y154-G158 PolarHBondContact O-N 2.82Å; Y154-L164 HydrophobicContact CD1-CD1 3.94Å; Y154-L164 HydrophobicContact CE1-CD1 3.66Å; Y154-C250 HydrophobicContact CE2-CB 4.48Å; Y154-C250 VanDerWaalsContact OH-CB 3.26Å; Y154-C250 WeakPolarHBondContact OH-CB 3.26Å; Y154-C250 PolarHBondContact OH-O 2.87Å; Y154-D251 VanDerWaalsContact CE1-OD1 3.25Å; Y154-D251 WeakPolarHBondContact CE1-OD1 3.47Å; Y154-D251 VanDerWaalsContact CZ-OD1 3.3Å; Y154-D251 WeakPolarHBondContact OH-CA 3.22Å; Y154-D251 PolarHBondContact OH-N 2.78Å; Y154-D251 VanDerWaalsContact OH-N 3.14Å; Y154-D251 PolarHBondContact OH-OD1 3.12Å; Y154-F254 HydrophobicContact CD1-CD2 4.3Å; Y154-F254 HydrophobicContact CD1-CG 4.23Å; Y154-F254 HydrophobicContact CD2-CB 4.01Å; Y154-F254 AromaticContact CD2-CD2 3.96Å; Y154-F254 HydrophobicContact CD2-CD2 3.96Å; Y154-F254 HydrophobicContact CD2-CG 4.18Å; Y154-F254 HydrophobicContact CE1-CB 4.5Å; Y154-F254 HydrophobicContact CE2-CB 3.95Å; Y154-F254 HydrophobicContact CG-CB 4.33Å; Y154-F254 AromaticContact CG-CD2 3.74Å; Y154-F254 HydrophobicContact CG-CD2 3.74Å; Y154-F254 HydrophobicContact CG-CE2 4.31Å; Y154-F254 HydrophobicContact CG-CG 4.04Å
155	I	97.8	Very high	96.4	Very high	2 Å²	2	45.4 Å²	45.4	1%	0.01	23%	0.225	C	C	.	.	H	α-helix	trans	-60.4	-36.7	176.8	-64.4	-52.9	0	0	0	112.4	L90 R93 F94 Y151 Y152 H159 G160 T162	L90-I155 HydrophobicContact CD2-CB 4.23Å; L90-I155 HydrophobicContact CD2-CG1 4.3Å; L90-I155 HydrophobicContact CD2-CG2 4.01Å; R93-I155 HydrophobicContact CB-CG2 4.35Å; F94-I155 HydrophobicContact CD1-CG2 4.43Å; F94-I155 HydrophobicContact CE1-CD1 3.85Å; F94-I155 HydrophobicContact CE1-CG1 4.23Å; F94-I155 HydrophobicContact CE1-CG2 3.6Å; F94-I155 HydrophobicContact CZ-CB 4.4Å; F94-I155 HydrophobicContact CZ-CD1 3.75Å; F94-I155 HydrophobicContact CZ-CG1 3.8Å; F94-I155 HydrophobicContact CZ-CG2 3.66Å; Y151-I155 HydrophobicContact CD1-CG1 4.16Å; Y151-I155 HydrophobicContact CD2-CG1 4.35Å; Y151-I155 HydrophobicContact CE1-CG1 3.77Å; Y151-I155 HydrophobicContact CE2-CD1 4.01Å; Y151-I155 HydrophobicContact CE2-CG1 4Å; Y151-I155 HydrophobicContact CG-CG1 4.43Å; Y151-I155 VanDerWaalsContact O-CG1 3.31Å; Y151-I155 WeakPolarHBondContact O-CG1 3.31Å; Y151-I155 PolarHBondContact O-N 3.43Å; Y152-I155 PolarHBondContact O-N 2.74Å; I155-H159 PolarHBondContact O-N 2.88Å; I155-G160 PolarHBondContact O-N 2.87Å; I155-T162 HydrophobicContact CD1-CG2 3.61Å
156	V	96.2	Very high	96.5	Very high	48 Å²	48	42.7 Å²	42.7	29%	0.291	21%	0.213	S	C	.	.	H	α-helix	trans	-63.4	-47	174.9	174.8	0	0	0	0	110.9	R93 Y152 S153 Y154 H159	R93-V156 VanDerWaalsContact CZ-CG2 3.47Å; Y152-V156 HydrophobicContact CD1-CG2 3.91Å; Y152-V156 HydrophobicContact CE1-CG2 3.55Å; Y152-V156 HydrophobicContact CE2-CG2 4.19Å; Y152-V156 HydrophobicContact CG-CG2 4.39Å; Y152-V156 WeakPolarHBondContact O-CG2 3.42Å; Y152-V156 PolarHBondContact O-N 3.02Å; S153-V156 PolarHBondContact O-N 3.32Å; Y154-V156 VanDerWaalsContact C-N 3.3Å; Y154-V156 PolarHBondContact O-N 2.84Å; V156-H159 PolarHBondContact O-N 2.72Å
157	K	96.1	Very high	96.7	Very high	157 Å²	157	39.2 Å²	39.2	68%	0.683	20%	0.197	S	C	*	.	H	α-helix	trans	-68	-42.3	-179	-69.2	166.7	-175.1	175.8	0	112.4	S153 Y154 H159	S153-K157 VanDerWaalsContact O-CG 3.28Å; S153-K157 WeakPolarHBondContact O-CG 3.44Å; S153-K157 PolarHBondContact O-N 3.48Å; S153-K157 VanDerWaalsContact O-N 3.1Å; Y154-K157 PolarHBondContact O-N 2.76Å; Y154-K157 VanDerWaalsContact O-N 3.15Å; K157-H159 VanDerWaalsContact C-N 3.26Å; K157-H159 PolarHBondContact O-N 2.79Å
158	G	94.2	Very high	96.8	Very high	28 Å²	28	39.2 Å²	39.2	29%	0.289	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	3.6	178.8	0	0	0	0	0	114.7	Y154 G160 Q161	Y154-G158 PolarHBondContact O-N 2.82Å; G158-G160 PolarHBondContact O-N 3.34Å; G158-G160 VanDerWaalsContact O-N 3.13Å; G158-Q161 WeakPolarHBondContact O-CB 3.45Å; G158-Q161 PolarHBondContact O-N 3.32Å
159	H	94.7	Very high	96.9	Very high	163 Å²	163	39.1 Å²	39.1	76%	0.755	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	35.9	-175.5	-60.5	-81.7	0	0	0	113.8	I155 V156 K157 Q161	I155-H159 PolarHBondContact O-N 2.88Å; V156-H159 PolarHBondContact O-N 2.72Å; K157-H159 VanDerWaalsContact C-N 3.26Å; K157-H159 PolarHBondContact O-N 2.79Å; H159-Q161 PolarHBondContact O-N 3.02Å
160	G	92.7	Very high	96.9	Very high	4 Å²	4	35.6 Å²	35.6	4%	0.041	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	1.1	-176	0	0	0	0	0	116	I155 G158 T162 H434	I155-G160 PolarHBondContact O-N 2.87Å; G158-G160 PolarHBondContact O-N 3.34Å; G158-G160 VanDerWaalsContact O-N 3.13Å; G160-T162 PolarHBondContact O-N 3.19Å; G160-H434 PolarHBondContact O-CE1 2.92Å
161	Q	93.8	Very high	97	Very high	99 Å²	99	31.3 Å²	31.3	46%	0.463	16%	0.16	S	C	.	.			trans	-80.7	98.6	173.7	-60	-64.8	-73.7	0	0	109.5	G158 H159	G158-Q161 WeakPolarHBondContact O-CB 3.45Å; G158-Q161 PolarHBondContact O-N 3.32Å; H159-Q161 PolarHBondContact O-N 3.02Å
162	T	97.3	Very high	97	Very high	3 Å²	3	32.9 Å²	32.9	2%	0.018	17%	0.166	C	C	.	.			trans	-156.3	153.1	-178.5	176.5	0	0	0	0	109.6	I155 G160 L164 D251 H434	I155-T162 HydrophobicContact CD1-CG2 3.61Å; G160-T162 PolarHBondContact O-N 3.19Å; T162-L164 HydrophobicContact CG2-CB 4.32Å; T162-L164 VanDerWaalsContact OG1-CB 3.28Å; T162-L164 WeakPolarHBondContact OG1-CB 3.13Å; T162-L164 VanDerWaalsContact OG1-CG 3.29Å; T162-L164 WeakPolarHBondContact OG1-CG 3.48Å; T162-L164 PolarHBondContact OG1-N 3.48Å; T162-D251 WeakPolarHBondContact CB-OD1 3.26Å; T162-D251 PolarHBondContact OG1-OD1 3.31Å; T162-D251 PolarHBondContact OG1-OD2 3.2Å; T162-H434 PolarHBondContact O-NE2 3.21Å
163	L	97.7	Very high	97	Very high	15 Å²	15	31.4 Å²	31.4	8%	0.079	16%	0.16	C	C	.	.	S	Bend	trans	-87.8	-9.2	168	-54.8	178	0	0	0	111.9	M244 T247 L248 D251 A452 I453	L163-M244 HydrophobicContact CD1-CG 4.41Å; L163-T247 HydrophobicContact CG-CG2 4.04Å; L163-L248 HydrophobicContact CD1-CB 3.96Å; L163-L248 HydrophobicContact CD1-CD1 4.22Å; L163-D251 WeakPolarHBondContact CA-OD2 3.39Å; L163-D251 VanDerWaalsContact CB-OD2 3.3Å; L163-D251 WeakPolarHBondContact CB-OD2 3.45Å; L163-D251 PolarHBondContact N-OD2 3.03Å; L163-A452 CarbonylContact O-C 3.54Å; L163-A452 WeakPolarHBondContact O-CA 3.35Å; L163-I453 HydrophobicContact CB-CD1 4.39Å; L163-I453 HydrophobicContact CB-CG1 4.14Å; L163-I453 PolarHBondContact O-N 3.29Å
164	L	98.1	Very high	96.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-60.9	157.4	174.2	-62.5	172	0	0	0	111.6	Y154 T162 Q166 D251 F254 L255 Y435 I453 I456	Y154-L164 HydrophobicContact CD1-CD1 3.94Å; Y154-L164 HydrophobicContact CE1-CD1 3.66Å; T162-L164 HydrophobicContact CG2-CB 4.32Å; T162-L164 VanDerWaalsContact OG1-CB 3.28Å; T162-L164 WeakPolarHBondContact OG1-CB 3.13Å; T162-L164 VanDerWaalsContact OG1-CG 3.29Å; T162-L164 WeakPolarHBondContact OG1-CG 3.48Å; T162-L164 PolarHBondContact OG1-N 3.48Å; L164-Q166 PolarHBondContact O-N 3.34Å; L164-D251 HydrophobicContact CD1-CB 4.48Å; L164-D251 HydrophobicContact CD2-CB 4.16Å; L164-D251 HydrophobicContact CG-CB 4Å; L164-F254 HydrophobicContact CD1-CD1 3.6Å; L164-F254 HydrophobicContact CD1-CE1 3.99Å; L164-F254 HydrophobicContact CD1-CG 4.38Å; L164-L255 HydrophobicContact CD2-CD1 3.85Å; L164-L255 HydrophobicContact CD2-CD2 3.92Å; L164-L255 HydrophobicContact CD2-CG 3.96Å; L164-Y435 PolarHBondContact O-OH 3.44Å; L164-I453 HydrophobicContact CD2-CB 4.34Å; L164-I453 HydrophobicContact CD2-CD1 4Å; L164-I453 HydrophobicContact CD2-CG2 4.45Å; L164-I456 HydrophobicContact CD2-CD1 4.24Å; L164-I456 HydrophobicContact CD2-CG2 4.29Å
165	P	97.7	Very high	96.7	Very high	10 Å²	10	27.9 Å²	27.9	7%	0.065	14%	0.141	C	C	.	.			trans	-60.8	123.9	173.5	-19.7	32.4	0	0	0	110.6	Y151 F167 M185 I453 I456	Y151-P165 PolarHBondContact OH-O 3.44Å; P165-F167 HydrophobicContact CB-CD1 4.24Å; P165-F167 HydrophobicContact CB-CE1 3.69Å; P165-F167 HydrophobicContact CB-CZ 3.97Å; P165-F167 HydrophobicContact CG-CE1 4.34Å; P165-F167 HydrophobicContact CG-CZ 4.27Å; P165-F167 PolarHBondContact O-N 3.05Å; P165-F167 VanDerWaalsContact O-N 3.13Å; P165-M185 HydrophobicContact CB-SD 4.14Å; P165-I453 VanDerWaalsContact CD-O 3.24Å; P165-I453 WeakPolarHBondContact CD-O 3.36Å; P165-I453 VanDerWaalsContact CG-O 3.31Å; P165-I453 WeakPolarHBondContact CG-O 3.34Å; P165-I456 HydrophobicContact CG-CD1 4.45Å; P165-I456 HydrophobicContact CG-CG1 4.36Å
166	Q	97.8	Very high	96.2	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.009	17%	0.169	C	C	.	.			trans	-76.2	97.7	174.1	-67.7	-174	-3.1	0	0	109.6	F94 L164 L168 M185 R186 H434 Y435	F94-Q166 HydrophobicContact CD1-CB 4.13Å; F94-Q166 HydrophobicContact CD1-CG 3.62Å; F94-Q166 HydrophobicContact CD2-CB 3.88Å; F94-Q166 HydrophobicContact CD2-CG 4.3Å; F94-Q166 HydrophobicContact CE1-CB 4.07Å; F94-Q166 HydrophobicContact CE1-CG 3.52Å; F94-Q166 HydrophobicContact CE2-CB 3.8Å; F94-Q166 HydrophobicContact CE2-CG 4.2Å; F94-Q166 HydrophobicContact CG-CB 4.05Å; F94-Q166 HydrophobicContact CG-CG 4.02Å; F94-Q166 HydrophobicContact CZ-CB 3.89Å; F94-Q166 HydrophobicContact CZ-CG 3.82Å; L164-Q166 PolarHBondContact O-N 3.34Å; Q166-L168 WeakPolarHBondContact O-CG 3.4Å; Q166-M185 CarbonylContact O-C 3.58Å; Q166-M185 WeakPolarHBondContact O-CA 3.46Å; Q166-M185 WeakPolarHBondContact O-CB 3.49Å; Q166-R186 HydrophobicContact CB-CB 4.05Å; Q166-R186 PolarHBondContact O-N 2.98Å; Q166-R186 VanDerWaalsContact O-N 3.09Å; Q166-H434 PolarHBondContact NE2-CD2 2.8Å; Q166-H434 PolarHBondContact NE2-CE1 2.8Å; Q166-H434 PolarHBondContact NE2-ND1 2.84Å; Q166-H434 PolarHBondContact NE2-NE2 2.61Å; Q166-Y435 PolarHBondContact N-OH 3.49Å
167	F	98.2	Very high	95.8	Very high	4 Å²	4	36.7 Å²	36.7	2%	0.018	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	131.3	-179.8	-55.6	-57.9	0	0	0	111.9	F87 M144 M147 Y151 P165 L183 M185 I456	F87-F167 HydrophobicContact CE1-CB 3.97Å; M144-F167 HydrophobicContact CE-CD2 3.61Å; M144-F167 HydrophobicContact CE-CE2 3.99Å; M144-F167 HydrophobicContact CE-CG 4.26Å; M144-F167 HydrophobicContact SD-CD2 3.9Å; M144-F167 HydrophobicContact SD-CE2 3.82Å; M144-F167 HydrophobicContact SD-CG 4.38Å; M144-F167 HydrophobicContact SD-CZ 4.25Å; M147-F167 HydrophobicContact CE-CE2 3.71Å; M147-F167 HydrophobicContact CE-CZ 4.29Å; Y151-F167 HydrophobicContact CD1-CD2 4.34Å; Y151-F167 HydrophobicContact CD2-CD2 4.45Å; Y151-F167 HydrophobicContact CD2-CE2 4.45Å; Y151-F167 HydrophobicContact CE1-CB 4.45Å; Y151-F167 AromaticContact CE1-CD2 3.79Å; Y151-F167 HydrophobicContact CE1-CD2 3.79Å; Y151-F167 AromaticContact CE2-CD2 3.9Å; Y151-F167 HydrophobicContact CE2-CD2 3.9Å; Y151-F167 HydrophobicContact CE2-CE2 4.04Å; Y151-F167 AromaticContact CZ-CD2 3.53Å; Y151-F167 PolarHBondContact OH-N 2.7Å; Y151-F167 VanDerWaalsContact OH-N 3.15Å; P165-F167 HydrophobicContact CB-CD1 4.24Å; P165-F167 HydrophobicContact CB-CE1 3.69Å; P165-F167 HydrophobicContact CB-CZ 3.97Å; P165-F167 HydrophobicContact CG-CE1 4.34Å; P165-F167 HydrophobicContact CG-CZ 4.27Å; P165-F167 PolarHBondContact O-N 3.05Å; P165-F167 VanDerWaalsContact O-N 3.13Å; F167-L183 HydrophobicContact CB-CD1 4.4Å; F167-L183 HydrophobicContact CD1-CD1 3.88Å; F167-L183 HydrophobicContact CD1-CD2 3.8Å; F167-L183 HydrophobicContact CD1-CG 3.91Å; F167-L183 HydrophobicContact CE1-CD1 4.49Å; F167-L183 HydrophobicContact CE1-CD2 3.58Å; F167-L183 HydrophobicContact CE1-CG 4.2Å; F167-L183 HydrophobicContact CG-CD1 4.3Å; F167-L183 HydrophobicContact CZ-CD2 4.37Å; F167-M185 HydrophobicContact CD1-CB 4.24Å; F167-M185 HydrophobicContact CD1-CE 4.29Å; F167-M185 HydrophobicContact CE1-CE 4.08Å; F167-I456 HydrophobicContact CE2-CD1 3.94Å; F167-I456 HydrophobicContact CZ-CD1 3.87Å; F167-I456 HydrophobicContact CZ-CG1 3.98Å
168	L	98.1	Very high	95.7	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	-11.7	-169	-52.6	178.7	0	0	0	114	R91 F94 V96 Y101 F131 Q166 V184	R91-L168 WeakPolarHBondContact CD-O 3.27Å; R91-L168 HydrophobicContact CG-CB 4Å; R91-L168 HydrophobicContact CG-CD2 4.06Å; R91-L168 PolarHBondContact NH1-O 2.78Å; F94-L168 HydrophobicContact CB-CD2 4.47Å; F94-L168 HydrophobicContact CD2-CD2 3.68Å; F94-L168 HydrophobicContact CE2-CD2 4.42Å; F94-L168 HydrophobicContact CG-CD2 4.5Å; V96-L168 HydrophobicContact CG2-CD1 4.19Å; V96-L168 HydrophobicContact CG2-CD2 3.97Å; Y101-L168 HydrophobicContact CD2-CB 4.39Å; Y101-L168 HydrophobicContact CD2-CD1 4.19Å; Y101-L168 HydrophobicContact CE2-CB 3.63Å; Y101-L168 HydrophobicContact CE2-CD1 3.99Å; Y101-L168 HydrophobicContact CE2-CG 4.47Å; F131-L168 HydrophobicContact CD1-CD1 3.26Å; F131-L168 HydrophobicContact CE1-CD1 3.35Å; F131-L168 HydrophobicContact CG-CD1 4.32Å; F131-L168 HydrophobicContact CZ-CD1 4.45Å; Q166-L168 WeakPolarHBondContact O-CG 3.4Å; L168-V184 HydrophobicContact CB-CG1 4.28Å; L168-V184 PolarHBondContact N-O 3.08Å
169	G	98.2	Very high	95.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.2	146.2	176.3	0	0	0	0	0	112.3	V184	G169-V184 PolarHBondContact O-N 3.49Å
170	L	98.6	Very high	95.8	Very high	2 Å²	2	32 Å²	32	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	124.5	176.9	176	60.9	0	0	0	109.9	Y82 F87 I136 V141 M144 L183	Y82-L170 HydrophobicContact CD2-CD2 4.35Å; Y82-L170 HydrophobicContact CD2-CG 3.96Å; Y82-L170 HydrophobicContact CG-CD2 4.28Å; Y82-L170 HydrophobicContact CG-CG 4.31Å; Y82-L170 PolarHBondContact N-O 3.07Å; F87-L170 HydrophobicContact CD2-CB 4.49Å; F87-L170 HydrophobicContact CE2-CB 3.6Å; F87-L170 HydrophobicContact CZ-CB 3.64Å; I136-L170 HydrophobicContact CD1-CD1 3.93Å; V141-L170 HydrophobicContact CG1-CD2 4.42Å; V141-L170 HydrophobicContact CG2-CD1 4.38Å; M144-L170 HydrophobicContact CB-CD2 4.46Å; M144-L170 HydrophobicContact CG-CD2 4.06Å; L170-L183 HydrophobicContact CB-CD1 4.28Å; L170-L183 HydrophobicContact CD1-CB 4.25Å; L170-L183 HydrophobicContact CD1-CD1 4.18Å
171	Y	98.4	Very high	96.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	141.6	-170.2	-52.2	-71.2	0	0	0	111.7	L30 I34 F79 K80 E81 Y101 Y181 I182 V184	L30-Y171 HydrophobicContact CD1-CD2 4.25Å; I34-Y171 HydrophobicContact CD1-CE2 4.32Å; I34-Y171 HydrophobicContact CG1-CE1 4.41Å; I34-Y171 HydrophobicContact CG1-CE2 4.3Å; F79-Y171 HydrophobicContact CE1-CD1 4.34Å; F79-Y171 AromaticContact CE2-CD1 3.65Å; F79-Y171 HydrophobicContact CE2-CD1 3.65Å; F79-Y171 HydrophobicContact CE2-CE1 4.35Å; F79-Y171 HydrophobicContact CE2-CG 4.13Å; F79-Y171 AromaticContact CZ-CD1 3.33Å; F79-Y171 HydrophobicContact CZ-CD1 3.33Å; F79-Y171 AromaticContact CZ-CE1 3.72Å; F79-Y171 HydrophobicContact CZ-CE1 3.72Å; F79-Y171 HydrophobicContact CZ-CG 4.25Å; K80-Y171 CarbonylContact O-C 3.6Å; K80-Y171 VanDerWaalsContact O-CA 3.25Å; K80-Y171 WeakPolarHBondContact O-CA 3.27Å; E81-Y171 HydrophobicContact CB-CD1 3.88Å; E81-Y171 HydrophobicContact CB-CE1 3.9Å; E81-Y171 HydrophobicContact CG-CD1 3.94Å; E81-Y171 HydrophobicContact CG-CE1 3.55Å; E81-Y171 VanDerWaalsContact OE1-CE1 3.31Å; E81-Y171 WeakPolarHBondContact OE1-CE1 3.32Å; E81-Y171 PolarHBondContact OE1-OH 3.4Å; Y101-Y171 PolarHBondContact OH-OH 3.08Å; Y171-Y181 CarbonylContact O-C 3.48Å; Y171-Y181 VanDerWaalsContact O-CA 3.3Å; Y171-Y181 WeakPolarHBondContact O-CA 3.49Å; Y171-I182 PolarHBondContact N-O 2.95Å; Y171-I182 PolarHBondContact O-N 3.12Å; Y171-V184 HydrophobicContact CD2-CG2 4.08Å; Y171-V184 HydrophobicContact CE2-CB 4.44Å; Y171-V184 HydrophobicContact CE2-CG2 3.71Å
172	R	98.3	Very high	96.2	Very high	33 Å²	33	29 Å²	29	13%	0.125	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.1	159.2	167.2	171.4	59.9	171	-9	109	K80 Y82 E179 Y181 E391	K80-R172 HydrophobicContact CB-CB 4.25Å; K80-R172 PolarHBondContact N-O 3.41Å; K80-R172 PolarHBondContact O-N 2.84Å; Y82-R172 HydrophobicContact CE2-CB 3.73Å; R172-E179 WeakPolarHBondContact CD-OE2 3.13Å; R172-E179 IonicContact CZ-OE2 3.87Å; R172-E179 IonicContact NE-OE2 3.93Å; R172-E179 IonicContact NH1-OE1 3.15Å; R172-E179 PolarHBondContact NH1-OE1 2.61Å; R172-E179 IonicContact NH1-OE2 2.64Å; R172-E179 PolarHBondContact NH1-OE2 2.86Å; R172-Y181 HydrophobicContact CB-CD1 3.8Å; R172-Y181 HydrophobicContact CB-CE1 3.97Å; R172-Y181 HydrophobicContact CG-CD1 4.22Å; R172-Y181 HydrophobicContact CG-CE1 4.06Å; R172-E391 IonicContact NH2-OE1 3.78Å; R172-E391 PolarHBondContact NH2-OE1 2.83Å
173	L	97.4	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	129.7	174.1	-45	-179.7	0	0	0	107.6	L26 V29 L30 F79 E179 S180 I182	L26-L173 HydrophobicContact CD1-CB 3.89Å; L26-L173 HydrophobicContact CD1-CD1 3.6Å; L26-L173 HydrophobicContact CD1-CG 4.36Å; L26-L173 HydrophobicContact CG-CD1 3.98Å; V29-L173 HydrophobicContact CG1-CB 4.49Å; V29-L173 HydrophobicContact CG1-CD2 4.35Å; L30-L173 HydrophobicContact CB-CD1 3.9Å; L30-L173 HydrophobicContact CD1-CD1 4.26Å; L30-L173 HydrophobicContact CD1-CD2 4.4Å; F79-L173 HydrophobicContact CD2-CD2 3.44Å; F79-L173 VanDerWaalsContact CD2-CD2 3.44Å; F79-L173 HydrophobicContact CE2-CD2 3.85Å; L173-E179 CarbonylContact O-C 3.53Å; L173-E179 WeakPolarHBondContact O-CA 3.28Å; L173-S180 PolarHBondContact N-O 3.49Å; L173-S180 PolarHBondContact O-N 3.27Å; L173-I182 HydrophobicContact CD1-CG1 3.81Å; L173-I182 HydrophobicContact CG-CG1 4.25Å
174	T	96.5	Very high	96.3	Very high	6 Å²	6	28.3 Å²	28.3	4%	0.037	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	116.7	169.8	-45	0	0	0	0	108.3	F77 K78 Q178 E179	F77-T174 CarbonylContact C-O 3.53Å; F77-T174 WeakPolarHBondContact CA-O 3.17Å; F77-T174 VanDerWaalsContact CB-O 3.31Å; F77-T174 WeakPolarHBondContact CB-O 3.25Å; K78-T174 HydrophobicContact CD-CG2 4.15Å; K78-T174 HydrophobicContact CG-CG2 4.33Å; K78-T174 PolarHBondContact N-O 3.25Å; K78-T174 PolarHBondContact O-N 3.23Å; T174-Q178 CarbonylContact C-O 3.56Å; T174-Q178 WeakPolarHBondContact CA-O 3.45Å; T174-E179 HydrophobicContact CG2-CG 4.06Å; T174-E179 PolarHBondContact OG1-OE1 2.72Å
175	V	92.9	Very high	96.2	Very high	10 Å²	10	29.2 Å²	29.2	6%	0.061	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	126.6	-177.5	-174.3	0	0	0	0	109	P25 L26 V29 P74 F77 D177 Q178	P25-V175 HydrophobicContact CB-CG1 3.65Å; L26-V175 HydrophobicContact CD1-CG2 4.31Å; V29-V175 HydrophobicContact CB-CG2 4.03Å; V29-V175 HydrophobicContact CG1-CG2 4.13Å; V29-V175 HydrophobicContact CG2-CG2 3.88Å; P74-V175 HydrophobicContact CB-CG1 4.23Å; P74-V175 HydrophobicContact CG-CG1 3.82Å; F77-V175 HydrophobicContact CB-CG2 4.4Å; V175-D177 PolarHBondContact O-N 2.98Å; V175-Q178 PolarHBondContact N-O 2.59Å; V175-Q178 PolarHBondContact O-N 3.17Å
176	N	88	Confident	96.2	Very high	113 Å²	113	29.2 Å²	29.2	60%	0.604	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.2	43.3	-172.7	-54.4	-26.2	0	0	0	111.9	Q178	N176-Q178 PolarHBondContact O-N 2.73Å
177	D	88.1	Confident	96	Very high	122 Å²	122	29.3 Å²	29.3	65%	0.652	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	10.2	-179.2	-49.1	-51.4	0	0	0	115.7	V175	V175-D177 PolarHBondContact O-N 2.98Å
178	Q	93.7	Very high	95.9	Very high	145 Å²	145	29.5 Å²	29.5	68%	0.678	15%	0.148	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.6	166.6	-63.2	-173.2	-25.9	0	0	110.3	T174 V175 N176	T174-Q178 CarbonylContact C-O 3.56Å; T174-Q178 WeakPolarHBondContact CA-O 3.45Å; V175-Q178 PolarHBondContact N-O 2.59Å; V175-Q178 PolarHBondContact O-N 3.17Å; N176-Q178 PolarHBondContact O-N 2.73Å
179	E	95.6	Very high	95.6	Very high	71 Å²	71	29.5 Å²	29.5	33%	0.332	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	144.2	174.8	-50.3	-141.9	129.1	0	0	111	R172 L173 T174	R172-E179 WeakPolarHBondContact CD-OE2 3.13Å; R172-E179 IonicContact CZ-OE2 3.87Å; R172-E179 IonicContact NE-OE2 3.93Å; R172-E179 IonicContact NH1-OE1 3.15Å; R172-E179 PolarHBondContact NH1-OE1 2.61Å; R172-E179 IonicContact NH1-OE2 2.64Å; R172-E179 PolarHBondContact NH1-OE2 2.86Å; L173-E179 CarbonylContact O-C 3.53Å; L173-E179 WeakPolarHBondContact O-CA 3.28Å; T174-E179 HydrophobicContact CG2-CG 4.06Å; T174-E179 PolarHBondContact OG1-OE1 2.72Å
180	S	95.5	Very high	95.3	Very high	32 Å²	32	29.7 Å²	29.7	22%	0.224	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	130	177	-67.3	0	0	0	0	109.7	L173	L173-S180 PolarHBondContact N-O 3.49Å; L173-S180 PolarHBondContact O-N 3.27Å
181	Y	97.4	Very high	94.8	Very high	42 Å²	42	30.8 Å²	30.8	17%	0.165	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	129.9	-179.8	-52.3	-90.1	0	0	0	109.9	T135 I136 V141 Y171 R172	T135-Y181 CarbonylContact C-O 3.59Å; T135-Y181 WeakPolarHBondContact CA-O 3.25Å; I136-Y181 PolarHBondContact N-O 2.67Å; V141-Y181 HydrophobicContact CG2-CD1 3.59Å; V141-Y181 HydrophobicContact CG2-CD2 4.34Å; V141-Y181 HydrophobicContact CG2-CE1 4.28Å; V141-Y181 HydrophobicContact CG2-CG 3.61Å; Y171-Y181 CarbonylContact O-C 3.48Å; Y171-Y181 VanDerWaalsContact O-CA 3.3Å; Y171-Y181 WeakPolarHBondContact O-CA 3.49Å; R172-Y181 HydrophobicContact CB-CD1 3.8Å; R172-Y181 HydrophobicContact CB-CE1 3.97Å; R172-Y181 HydrophobicContact CG-CD1 4.22Å; R172-Y181 HydrophobicContact CG-CE1 4.06Å
182	I	97.3	Very high	94.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	118.4	-176.1	-57.5	-62.7	0	0	0	108.9	L30 A133 K134 T135 Y171 L173 V184	L30-I182 HydrophobicContact CD1-CG2 4.31Å; L30-I182 HydrophobicContact CD2-CG2 4.41Å; A133-I182 HydrophobicContact CB-CG2 3.55Å; K134-I182 CarbonylContact O-C 3.55Å; K134-I182 WeakPolarHBondContact O-CA 3.32Å; T135-I182 HydrophobicContact CG2-CD1 4.42Å; Y171-I182 PolarHBondContact N-O 2.95Å; Y171-I182 PolarHBondContact O-N 3.12Å; L173-I182 HydrophobicContact CD1-CG1 3.81Å; L173-I182 HydrophobicContact CG-CG1 4.25Å; I182-V184 HydrophobicContact CG2-CG2 4.3Å
183	L	97.7	Very high	94	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.01	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	115.1	173.8	179.2	62.8	0	0	0	109.2	A133 K134 I136 M144 F167 L170 M185 L457	A133-L183 WeakPolarHBondContact CA-O 3.44Å; K134-L183 PolarHBondContact N-O 3.32Å; K134-L183 PolarHBondContact O-N 3Å; I136-L183 HydrophobicContact CD1-CB 3.95Å; I136-L183 HydrophobicContact CD1-CD2 4.31Å; I136-L183 HydrophobicContact CG1-CB 4.34Å; I136-L183 HydrophobicContact CG2-CB 4.23Å; M144-L183 HydrophobicContact SD-CD1 4.49Å; F167-L183 HydrophobicContact CB-CD1 4.4Å; F167-L183 HydrophobicContact CD1-CD1 3.88Å; F167-L183 HydrophobicContact CD1-CD2 3.8Å; F167-L183 HydrophobicContact CD1-CG 3.91Å; F167-L183 HydrophobicContact CE1-CD1 4.49Å; F167-L183 HydrophobicContact CE1-CD2 3.58Å; F167-L183 HydrophobicContact CE1-CG 4.2Å; F167-L183 HydrophobicContact CG-CD1 4.3Å; F167-L183 HydrophobicContact CZ-CD2 4.37Å; L170-L183 HydrophobicContact CB-CD1 4.28Å; L170-L183 HydrophobicContact CD1-CB 4.25Å; L170-L183 HydrophobicContact CD1-CD1 4.18Å; L183-M185 HydrophobicContact CD2-CE 4.02Å; L183-M185 HydrophobicContact CG-CE 3.96Å; L183-L457 HydrophobicContact CD2-CD1 3.74Å
184	V	98	Very high	93.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.4	178.4	-178.8	0	0	0	0	110.2	Y101 F105 F131 V132 A133 L168 G169 Y171 I182	Y101-V184 HydrophobicContact CE2-CG1 3.79Å; Y101-V184 WeakPolarHBondContact OH-CG1 3.42Å; F105-V184 HydrophobicContact CE1-CG2 4.41Å; F105-V184 HydrophobicContact CE2-CG1 3.84Å; F105-V184 HydrophobicContact CZ-CB 4.41Å; F105-V184 HydrophobicContact CZ-CG1 3.58Å; F105-V184 HydrophobicContact CZ-CG2 3.85Å; F131-V184 HydrophobicContact CB-CG1 4.23Å; V132-V184 WeakPolarHBondContact O-CA 3.45Å; A133-V184 HydrophobicContact CB-CG2 3.87Å; L168-V184 HydrophobicContact CB-CG1 4.28Å; L168-V184 PolarHBondContact N-O 3.08Å; G169-V184 PolarHBondContact O-N 3.49Å; Y171-V184 HydrophobicContact CD2-CG2 4.08Å; Y171-V184 HydrophobicContact CE2-CB 4.44Å; Y171-V184 HydrophobicContact CE2-CG2 3.71Å; I182-V184 HydrophobicContact CG2-CG2 4.3Å
185	M	97.5	Very high	93.4	Very high	20 Å²	20	33.5 Å²	33.5	10%	0.099	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	163.8	176.1	62.3	-161.1	73.7	0	0	111.5	F131 V132 K134 P165 Q166 F167 L183	F131-M185 WeakPolarHBondContact CA-O 3.47Å; V132-M185 HydrophobicContact CB-CG 4.35Å; V132-M185 PolarHBondContact N-O 3.24Å; V132-M185 PolarHBondContact O-N 3.02Å; K134-M185 HydrophobicContact CB-CE 3.94Å; P165-M185 HydrophobicContact CB-SD 4.14Å; Q166-M185 CarbonylContact O-C 3.58Å; Q166-M185 WeakPolarHBondContact O-CA 3.46Å; Q166-M185 WeakPolarHBondContact O-CB 3.49Å; F167-M185 HydrophobicContact CD1-CB 4.24Å; F167-M185 HydrophobicContact CD1-CE 4.29Å; F167-M185 HydrophobicContact CE1-CE 4.08Å; L183-M185 HydrophobicContact CD2-CE 4.02Å; L183-M185 HydrophobicContact CG-CE 3.96Å
186	R	96.5	Very high	93.3	Very high	10 Å²	10	35.5 Å²	35.5	4%	0.038	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	142.2	168.8	-173.3	179	-68.3	-79.4	16.2	110.4	F94 V96 Q166 T431 Y435	F94-R186 PolarHBondContact O-NH2 3.37Å; V96-R186 VanDerWaalsContact CG2-NH2 3.31Å; Q166-R186 HydrophobicContact CB-CB 4.05Å; Q166-R186 PolarHBondContact O-N 2.98Å; Q166-R186 VanDerWaalsContact O-N 3.09Å; R186-T431 PolarHBondContact NH1-O 2.95Å; R186-T431 PolarHBondContact NH2-O 3.28Å; R186-Y435 HydrophobicContact CG-CE2 4.45Å
187	N	94.5	Very high	93.5	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	17%	0.169	C	C	.	.			trans	-67.2	133.9	169.3	-170.3	2.5	0	0	0	110.1	R129 Q130 V132 F189 S328 A329	R129-N187 VanDerWaalsContact O-CB 3.24Å; R129-N187 WeakPolarHBondContact O-CB 3.31Å; R129-N187 PolarHBondContact O-ND2 3.24Å; Q130-N187 WeakPolarHBondContact O-CB 3.24Å; Q130-N187 PolarHBondContact O-N 3.42Å; V132-N187 HydrophobicContact CG2-CB 3.93Å; N187-F189 VanDerWaalsContact C-N 3.35Å; N187-F189 VanDerWaalsContact CG-O 3.3Å; N187-F189 PolarHBondContact ND2-O 3.02Å; N187-F189 PolarHBondContact OD1-N 2.81Å; N187-S328 PolarHBondContact ND2-OG 3.01Å; N187-S328 VanDerWaalsContact ND2-OG 3.12Å; N187-S328 PolarHBondContact OD1-OG 2.74Å; N187-A329 VanDerWaalsContact OD1-CB 3.31Å; N187-A329 WeakPolarHBondContact OD1-CB 3.47Å; N187-A329 PolarHBondContact OD1-N 3.02Å
188	V	95.2	Very high	93.7	Very high	9 Å²	9	28.6 Å²	28.6	6%	0.055	14%	0.138	C	C	.	.	S	Bend	trans	-67.3	-38.5	175.7	175.9	0	0	0	0	111.2	L266 A329 Y435 F450 A452	V188-L266 HydrophobicContact CB-CD2 4.23Å; V188-L266 HydrophobicContact CG1-CD2 4.22Å; V188-L266 HydrophobicContact CG2-CD2 4.29Å; V188-A329 HydrophobicContact CB-CB 3.76Å; V188-A329 HydrophobicContact CG2-CB 3.73Å; V188-Y435 HydrophobicContact CB-CD2 4.4Å; V188-Y435 HydrophobicContact CG1-CD2 4.42Å; V188-Y435 HydrophobicContact CG1-CG 4.38Å; V188-Y435 HydrophobicContact CG2-CE2 4.41Å; V188-F450 HydrophobicContact CG1-CB 4.49Å; V188-F450 WeakPolarHBondContact O-CD1 3.41Å; V188-A452 HydrophobicContact CB-CB 4.16Å; V188-A452 HydrophobicContact CG1-CB 3.51Å; V188-A452 HydrophobicContact CG2-CB 3.53Å
189	F	93.5	Very high	93.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-90	148.4	-178.6	-53.2	-36.5	0	0	0	111.3	N187 I195 K198 L266 V327 F450	N187-F189 VanDerWaalsContact C-N 3.35Å; N187-F189 VanDerWaalsContact CG-O 3.3Å; N187-F189 PolarHBondContact ND2-O 3.02Å; N187-F189 PolarHBondContact OD1-N 2.81Å; F189-I195 HydrophobicContact CB-CD1 4.17Å; F189-I195 HydrophobicContact CB-CG1 4Å; F189-I195 HydrophobicContact CD1-CD1 4.04Å; F189-I195 HydrophobicContact CD1-CG1 4.15Å; F189-I195 HydrophobicContact CD2-CG1 4.06Å; F189-I195 HydrophobicContact CG-CD1 4.1Å; F189-I195 HydrophobicContact CG-CG1 3.81Å; F189-K198 HydrophobicContact CE2-CD 4.5Å; F189-K198 HydrophobicContact CZ-CD 4.5Å; F189-K198 HydrophobicContact CZ-CG 4.32Å; F189-L266 HydrophobicContact CE1-CD2 4.06Å; F189-L266 HydrophobicContact CE1-CG 4.11Å; F189-L266 HydrophobicContact CE2-CD2 4.39Å; F189-L266 HydrophobicContact CZ-CD1 4.07Å; F189-L266 HydrophobicContact CZ-CD2 3.68Å; F189-L266 HydrophobicContact CZ-CG 3.86Å; F189-V327 HydrophobicContact CD2-CG1 3.88Å; F189-V327 HydrophobicContact CE2-CG1 3.79Å; F189-F450 HydrophobicContact CD1-CB 3.78Å; F189-F450 HydrophobicContact CD1-CG 4.33Å; F189-F450 HydrophobicContact CE1-CB 4.29Å
190	S	91.3	Very high	93.5	Very high	4 Å²	4	18.8 Å²	18.8	3%	0.028	9%	0.093	C	C	.	.			trans	-55.5	140.7	175.7	177.5	0	0	0	0	111.8	R192 L193 E433 F450	S190-R192 PolarHBondContact O-N 2.89Å; S190-R192 PolarHBondContact OG-N 3.13Å; S190-L193 PolarHBondContact OG-N 3.28Å; S190-L193 VanDerWaalsContact OG-N 3.16Å; S190-E433 VanDerWaalsContact CB-OE1 3.26Å; S190-E433 WeakPolarHBondContact CB-OE1 3.49Å; S190-E433 PolarHBondContact OG-OE1 2.95Å; S190-F450 VanDerWaalsContact CB-CZ 3.48Å
191	P	88.1	Confident	93.4	Very high	25 Å²	25	17.3 Å²	17.3	16%	0.162	8%	0.082	C	C	.	.	S	Bend	trans	-71	-8.3	167.3	31.2	-35.3	0	0	0	113.3	N128 R129 Q130 L432	N128-P191 WeakPolarHBondContact O-CB 3.35Å; R129-P191 HydrophobicContact CB-CB 3.9Å; Q130-P191 HydrophobicContact CG-CB 4.45Å; Q130-P191 HydrophobicContact CG-CG 4.34Å; P191-L432 HydrophobicContact CG-CB 4.33Å; P191-L432 HydrophobicContact CG-CD2 4.4Å
192	R	88.8	Confident	93.1	Very high	58 Å²	58	16.4 Å²	16.4	22%	0.219	8%	0.08	C	C	.	.	S	Bend	trans	-114.5	-27.5	-173.8	-66.1	171.1	62.6	-162.4	1.1	114.5	S190 M326 Q422	S190-R192 PolarHBondContact O-N 2.89Å; S190-R192 PolarHBondContact OG-N 3.13Å; R192-M326 WeakPolarHBondContact O-CE 3.2Å; R192-Q422 PolarHBondContact NH2-O 2.84Å
193	L	90.2	Very high	92.6	Very high	13 Å²	13	17 Å²	17	7%	0.068	9%	0.085	C	C	.	.	S	Bend	trans	-107.3	125.9	-172.9	-56	-175	0	0	0	111.4	S190 H270 F424 L428 I448 F450	S190-L193 PolarHBondContact OG-N 3.28Å; S190-L193 VanDerWaalsContact OG-N 3.16Å; L193-H270 HydrophobicContact CB-CB 4.36Å; L193-F424 HydrophobicContact CD1-CD2 4.15Å; L193-F424 HydrophobicContact CD1-CE2 3.97Å; L193-F424 HydrophobicContact CD1-CZ 4.46Å; L193-F424 HydrophobicContact CD2-CB 4.1Å; L193-F424 HydrophobicContact CD2-CD2 3.75Å; L193-F424 HydrophobicContact CD2-CE2 4.41Å; L193-F424 HydrophobicContact CD2-CG 3.98Å; L193-F424 HydrophobicContact CG-CD2 4.49Å; L193-L428 HydrophobicContact CD1-CD2 4.16Å; L193-I448 HydrophobicContact CD1-CD1 3.92Å; L193-I448 HydrophobicContact CD1-CG2 4.44Å; L193-F450 HydrophobicContact CB-CE2 4.48Å; L193-F450 HydrophobicContact CD1-CE2 4.43Å; L193-F450 HydrophobicContact CD1-CZ 4.14Å
194	A	90.6	Very high	92	Very high	18 Å²	18	18.1 Å²	18.1	15%	0.149	9%	0.093	C	C	.	.			trans	-68.4	142.7	177.3	0	0	0	0	0	111.7	H270 M326	A194-H270 WeakPolarHBondContact O-CB 3.44Å; A194-H270 PolarHBondContact O-ND1 2.82Å; A194-M326 HydrophobicContact CB-CE 4.22Å; A194-M326 HydrophobicContact CB-CG 4.35Å
195	I	91.5	Very high	90.8	Very high	6 Å²	6	22.6 Å²	22.6	3%	0.031	13%	0.13	C	C	.	.			trans	-101.8	123.1	178.7	-57.6	-60.2	0	0	0	108.7	F189 K197 K198 L219 V327 F450	F189-I195 HydrophobicContact CB-CD1 4.17Å; F189-I195 HydrophobicContact CB-CG1 4Å; F189-I195 HydrophobicContact CD1-CD1 4.04Å; F189-I195 HydrophobicContact CD1-CG1 4.15Å; F189-I195 HydrophobicContact CD2-CG1 4.06Å; F189-I195 HydrophobicContact CG-CD1 4.1Å; F189-I195 HydrophobicContact CG-CG1 3.81Å; I195-K197 WeakPolarHBondContact CG2-O 3.42Å; I195-K198 HydrophobicContact CG2-CB 4.43Å; I195-L219 HydrophobicContact CB-CD2 4.19Å; I195-L219 HydrophobicContact CG2-CD2 3.89Å; I195-V327 HydrophobicContact CB-CB 4.36Å; I195-V327 HydrophobicContact CB-CG1 4.44Å; I195-F450 HydrophobicContact CD1-CD2 3.64Å; I195-F450 HydrophobicContact CD1-CE2 4.08Å
196	H	90.8	Very high	89.7	Confident	53 Å²	53	26.1 Å²	26.1	25%	0.245	15%	0.152	C	C	.	.	S	Bend	trans	-104.7	-22.2	-176.6	-49.3	120.4	0	0	0	113.3	L219 V269 H270 D271	H196-L219 VanDerWaalsContact O-CD1 3.25Å; H196-L219 WeakPolarHBondContact O-CD1 3.49Å; H196-V269 PolarHBondContact N-O 3.03Å; H196-H270 AromaticContact CE1-ND1 3.78Å; H196-D271 PolarHBondContact CE1-O 3.44Å; H196-D271 VanDerWaalsContact ND1-CB 3.31Å; H196-D271 WeakPolarHBondContact ND1-CB 3.19Å; H196-D271 PolarHBondContact ND1-N 3.26Å; H196-D271 PolarHBondContact ND1-O 3.08Å
197	K	92.2	Very high	88.7	Confident	88 Å²	88	31.8 Å²	31.8	38%	0.383	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149.9	167.9	-56.7	-168.4	176.2	-163.3	0	111	I195 Y199 D230 G268 V269	I195-K197 WeakPolarHBondContact CG2-O 3.42Å; K197-Y199 HydrophobicContact CB-CE2 3.98Å; K197-Y199 WeakPolarHBondContact CD-OH 3.3Å; K197-D230 IonicContact NZ-OD2 2.81Å; K197-D230 PolarHBondContact NZ-OD2 3.13Å; K197-D230 VanDerWaalsContact NZ-OD2 3.08Å; K197-G268 CarbonylContact O-C 3.55Å; K197-G268 WeakPolarHBondContact O-CA 3.43Å; K197-V269 HydrophobicContact CB-CB 4.05Å; K197-V269 HydrophobicContact CB-CG2 4.08Å; K197-V269 PolarHBondContact N-O 2.75Å; K197-V269 PolarHBondContact O-N 2.96Å
198	K	92.4	Very high	88.2	Confident	1 Å²	1	32.4 Å²	32.4	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	128.7	-174.4	174.8	-172.2	58.3	172.8	0	111	F189 I195 L219 P220 T221 L222 L266 I267 D331	F189-K198 HydrophobicContact CE2-CD 4.5Å; F189-K198 HydrophobicContact CZ-CD 4.5Å; F189-K198 HydrophobicContact CZ-CG 4.32Å; I195-K198 HydrophobicContact CG2-CB 4.43Å; K198-L219 HydrophobicContact CB-CD1 4.47Å; K198-L219 HydrophobicContact CB-CD2 3.98Å; K198-L219 HydrophobicContact CB-CG 4.2Å; K198-L219 HydrophobicContact CD-CD2 4.16Å; K198-L219 PolarHBondContact NZ-O 3.23Å; K198-P220 WeakPolarHBondContact CE-O 3.45Å; K198-T221 HydrophobicContact CD-CG2 4.49Å; K198-T221 VanDerWaalsContact CE-OG1 3.27Å; K198-T221 WeakPolarHBondContact CE-OG1 3.49Å; K198-T221 PolarHBondContact NZ-OG1 3.21Å; K198-L222 WeakPolarHBondContact O-CB 3.37Å; K198-L222 PolarHBondContact O-N 3.27Å; K198-L266 HydrophobicContact CG-CD1 4.23Å; K198-I267 CarbonylContact C-O 3.59Å; K198-I267 VanDerWaalsContact CA-O 3.28Å; K198-I267 WeakPolarHBondContact CA-O 3.29Å; K198-D331 HydrophobicContact CD-CB 3.92Å; K198-D331 PolarHBondContact NZ-O 3.36Å
199	Y	92.6	Very high	87.9	Confident	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.2	-176.5	-48.8	-94	0	0	0	112.4	K197 L222 F227 D230 L266 I267 V269	K197-Y199 HydrophobicContact CB-CE2 3.98Å; K197-Y199 WeakPolarHBondContact CD-OH 3.3Å; Y199-L222 CarbonylContact C-O 3.59Å; Y199-L222 VanDerWaalsContact CA-O 3.29Å; Y199-L222 WeakPolarHBondContact CA-O 3.3Å; Y199-L222 HydrophobicContact CD1-CB 3.41Å; Y199-L222 VanDerWaalsContact CD1-CB 3.41Å; Y199-L222 HydrophobicContact CD1-CD1 4.12Å; Y199-L222 HydrophobicContact CD1-CG 4.38Å; Y199-L222 HydrophobicContact CE1-CB 3.83Å; Y199-L222 HydrophobicContact CE1-CD1 3.63Å; Y199-L222 HydrophobicContact CE1-CG 4.38Å; Y199-L222 HydrophobicContact CG-CB 4.28Å; Y199-F227 HydrophobicContact CD1-CB 3.87Å; Y199-F227 AromaticContact CD1-CD2 3.63Å; Y199-F227 HydrophobicContact CD1-CD2 3.63Å; Y199-F227 HydrophobicContact CD1-CG 4.24Å; Y199-F227 AromaticContact CD2-CD2 3.8Å; Y199-F227 HydrophobicContact CD2-CD2 3.8Å; Y199-F227 HydrophobicContact CD2-CE2 4.14Å; Y199-F227 HydrophobicContact CE1-CB 4.09Å; Y199-F227 AromaticContact CE1-CD2 3.79Å; Y199-F227 HydrophobicContact CE1-CD2 3.79Å; Y199-F227 HydrophobicContact CE1-CG 4.37Å; Y199-F227 AromaticContact CE2-CD2 3.91Å; Y199-F227 HydrophobicContact CE2-CD2 3.91Å; Y199-F227 HydrophobicContact CE2-CE2 4.15Å; Y199-F227 AromaticContact CG-CD2 3.63Å; Y199-F227 HydrophobicContact CG-CD2 3.63Å; Y199-F227 HydrophobicContact CG-CE2 4.39Å; Y199-F227 AromaticContact CZ-CD2 3.9Å; Y199-D230 PolarHBondContact OH-OD2 2.69Å; Y199-L266 WeakPolarHBondContact O-CA 3.28Å; Y199-I267 HydrophobicContact CD2-CB 4.33Å; Y199-I267 HydrophobicContact CD2-CG2 4.41Å; Y199-I267 PolarHBondContact N-O 2.77Å; Y199-I267 PolarHBondContact O-N 2.84Å; Y199-V269 HydrophobicContact CE2-CG2 4.04Å
200	D	92.5	Very high	87.5	Confident	11 Å²	11	37.6 Å²	37.6	6%	0.059	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	113.6	167.6	173	-79.9	0	0	0	108.2	R208 T221 L222 K223 S264	D200-R208 VanDerWaalsContact C-NH2 3.35Å; D200-R208 PolarHBondContact O-NH2 3.23Å; D200-R208 IonicContact OD1-CZ 2.6Å; D200-R208 VanDerWaalsContact OD1-CZ 3.27Å; D200-R208 IonicContact OD1-NH1 2.67Å; D200-R208 PolarHBondContact OD1-NH1 2.96Å; D200-R208 IonicContact OD1-NH2 3.09Å; D200-R208 PolarHBondContact OD1-NH2 3.05Å; D200-T221 HydrophobicContact CB-CG2 4.15Å; D200-L222 PolarHBondContact N-O 2.94Å; D200-K223 WeakPolarHBondContact O-CA 3.31Å; D200-S264 VanDerWaalsContact CG-OG 3.25Å; D200-S264 PolarHBondContact OD1-OG 3.01Å; D200-S264 WeakPolarHBondContact OD2-CB 3.32Å; D200-S264 PolarHBondContact OD2-OG 3.12Å
201	L	92.5	Very high	87.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.9	-174	-52.2	178.7	0	0	0	111.6	F227 S264 L265 I267 F494	L201-F227 HydrophobicContact CD1-CD2 4.27Å; L201-F227 HydrophobicContact CD1-CE2 4.41Å; L201-F227 HydrophobicContact CD2-CB 3.97Å; L201-F227 HydrophobicContact CD2-CD2 4.29Å; L201-F227 HydrophobicContact CD2-CG 4.17Å; L201-S264 CarbonylContact O-C 3.57Å; L201-S264 WeakPolarHBondContact O-CA 3.4Å; L201-S264 WeakPolarHBondContact O-CB 3.3Å; L201-L265 HydrophobicContact CB-CB 4.4Å; L201-L265 PolarHBondContact N-O 3.14Å; L201-L265 PolarHBondContact O-N 3.25Å; L201-I267 HydrophobicContact CD1-CD1 3.47Å; L201-I267 VanDerWaalsContact CD1-CD1 3.47Å; L201-I267 HydrophobicContact CD1-CG1 4.1Å; L201-F494 HydrophobicContact CB-CE1 4.16Å; L201-F494 HydrophobicContact CD1-CE1 4.11Å; L201-F494 HydrophobicContact CD2-CE1 4.08Å; L201-F494 HydrophobicContact CG-CE1 4.34Å
202	K	91.6	Very high	87.5	Confident	24 Å²	24	49.4 Å²	49.4	10%	0.104	27%	0.266	C	S	.	.			trans	-131.7	2.9	178.6	-71.6	-175.7	-172.7	-163.3	0	113.8	S204 R208 D224 D262 S264 Y487 R490	K202-S204 PolarHBondContact O-N 2.83Å; K202-R208 VanDerWaalsContact N-NH2 3.19Å; K202-D224 PolarHBondContact N-OD1 3.5Å; K202-D224 PolarHBondContact N-OD2 3.37Å; K202-D262 WeakPolarHBondContact CE-O 3.4Å; K202-D262 PolarHBondContact NZ-O 3.28Å; K202-S264 WeakPolarHBondContact CE-OG 3.22Å; K202-Y487 WeakPolarHBondContact CD-OH 3.46Å; K202-Y487 WeakPolarHBondContact CG-OH 3.25Å; K202-R490 PolarHBondContact O-NE 3.32Å; K202-R490 PolarHBondContact O-NH2 2.93Å
203	G	87.6	Confident	87.4	Confident	11 Å²	11	54.1 Å²	54.1	11%	0.113	29%	0.288	C	S	.	.	S	Bend	trans	65	22.7	-172.7	0	0	0	0	0	113.9	D224 R490	G203-D224 WeakPolarHBondContact CA-OD1 3.41Å; G203-D224 PolarHBondContact N-OD1 2.96Å; G203-R490 WeakPolarHBondContact O-CD 3.45Å; G203-R490 WeakPolarHBondContact O-CG 3.32Å; G203-R490 PolarHBondContact O-NE 3.34Å
204	S	83.7	Confident	87.3	Confident	26 Å²	26	55.2 Å²	55.2	18%	0.182	29%	0.293	C	S	.	.			trans	-112	155.5	-176.5	39.7	0	0	0	0	111.8	K202 R208 D224	K202-S204 PolarHBondContact O-N 2.83Å; S204-R208 WeakPolarHBondContact O-CB 3.44Å; S204-R208 WeakPolarHBondContact O-CG 3.46Å; S204-R208 WeakPolarHBondContact OG-CD 3.42Å; S204-R208 VanDerWaalsContact OG-CG 3.29Å; S204-R208 WeakPolarHBondContact OG-CG 3.26Å; S204-D224 PolarHBondContact N-OD1 3.01Å
205	A	72.5	Confident	87.2	Confident	94 Å²	94	58.3 Å²	58.3	78%	0.777	30%	0.303	S	S	*	.			trans	-91.9	-30.8	174.5	0	0	0	0	0	113.4
206	V	74.5	Confident	87.1	Confident	94 Å²	94	62.4 Å²	62.4	57%	0.57	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	125.8	-168.5	-174.1	0	0	0	0	112.2	R208	V206-R208 WeakPolarHBondContact O-CG 3.25Å; V206-R208 PolarHBondContact O-N 3.4Å
207	D	75.2	Confident	86.9	Confident	130 Å²	130	62.4 Å²	62.4	70%	0.695	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	25.9	-177	-59	-37.8	0	0	0	114.5	K223	D207-K223 PolarHBondContact O-NZ 3.26Å
208	R	85.4	Confident	86.6	Confident	15 Å²	15	65 Å²	65	6%	0.057	36%	0.357	C	S	.	.			trans	-101.8	35.9	-177.4	-55.1	-54.4	-70.8	167.6	1.4	114.2	D200 K202 S204 V206 K223 D224 A225	D200-R208 VanDerWaalsContact C-NH2 3.35Å; D200-R208 PolarHBondContact O-NH2 3.23Å; D200-R208 IonicContact OD1-CZ 2.6Å; D200-R208 VanDerWaalsContact OD1-CZ 3.27Å; D200-R208 IonicContact OD1-NH1 2.67Å; D200-R208 PolarHBondContact OD1-NH1 2.96Å; D200-R208 IonicContact OD1-NH2 3.09Å; D200-R208 PolarHBondContact OD1-NH2 3.05Å; K202-R208 VanDerWaalsContact N-NH2 3.19Å; S204-R208 WeakPolarHBondContact O-CB 3.44Å; S204-R208 WeakPolarHBondContact O-CG 3.46Å; S204-R208 WeakPolarHBondContact OG-CD 3.42Å; S204-R208 VanDerWaalsContact OG-CG 3.29Å; S204-R208 WeakPolarHBondContact OG-CG 3.26Å; V206-R208 WeakPolarHBondContact O-CG 3.25Å; V206-R208 PolarHBondContact O-N 3.4Å; R208-K223 VanDerWaalsContact C-CB 3.49Å; R208-K223 HydrophobicContact CB-CB 4.46Å; R208-K223 CarbonylContact O-C 3.57Å; R208-K223 WeakPolarHBondContact O-CB 3.13Å; R208-D224 HydrophobicContact CB-CB 3.82Å; R208-D224 HydrophobicContact CG-CB 4.47Å; R208-D224 IonicContact CZ-OD2 3.44Å; R208-D224 IonicContact NE-OD1 3.44Å; R208-D224 IonicContact NE-OD2 3.35Å; R208-D224 PolarHBondContact NE-OD2 2.91Å; R208-D224 IonicContact NH2-OD2 2.69Å; R208-D224 PolarHBondContact NH2-OD2 3.45Å; R208-D224 PolarHBondContact O-N 2.91Å; R208-A225 VanDerWaalsContact O-CB 3.25Å; R208-A225 WeakPolarHBondContact O-CB 3.37Å; R208-A225 PolarHBondContact O-N 3.18Å
209	E	87.7	Confident	86.4	Confident	113 Å²	113	66 Å²	66	53%	0.528	36%	0.363	S	S	.	.	S	Bend	trans	-116	147.2	161.8	-160	-169.9	153.3	0	0	109.8	K215 K223 A225 D226	E209-K215 IonicContact OE1-NZ 2.7Å; E209-K215 PolarHBondContact OE1-NZ 3.01Å; E209-K223 WeakPolarHBondContact O-CD 3.45Å; E209-K223 WeakPolarHBondContact O-CE 3.4Å; E209-K223 PolarHBondContact O-NZ 3.22Å; E209-A225 HydrophobicContact CB-CB 4.32Å; E209-D226 WeakPolarHBondContact CA-OD2 3.38Å; E209-D226 VanDerWaalsContact CG-OD1 3.27Å; E209-D226 WeakPolarHBondContact CG-OD1 3.46Å
210	A	86.3	Confident	86.2	Confident	5 Å²	5	67.3 Å²	67.3	4%	0.041	37%	0.372	C	S	.	.			trans	-68.7	140	170.3	0	0	0	0	0	111.2	E214 K215 T221 L222 D226	A210-E214 HydrophobicContact CB-CB 4.33Å; A210-E214 HydrophobicContact CB-CG 4.4Å; A210-K215 HydrophobicContact CB-CD 4.46Å; A210-K215 HydrophobicContact CB-CG 3.88Å; A210-K215 WeakPolarHBondContact O-CE 3.13Å; A210-T221 WeakPolarHBondContact CB-O 3.49Å; A210-L222 HydrophobicContact CB-CD2 4.13Å; A210-D226 PolarHBondContact N-OD2 3.2Å
211	N	89.1	Confident	86.1	Confident	103 Å²	103	67.5 Å²	67.5	55%	0.551	37%	0.373	S	S	*	.			trans	-78.7	161.2	176.5	67.1	32.4	0	0	0	111.2	K213 E214 K215	N211-K213 PolarHBondContact O-N 3.2Å; N211-K213 VanDerWaalsContact O-N 3.1Å; N211-K213 PolarHBondContact OD1-N 2.78Å; N211-E214 WeakPolarHBondContact O-CA 3.04Å; N211-E214 WeakPolarHBondContact O-CB 3.31Å; N211-E214 PolarHBondContact O-N 2.85Å; N211-E214 WeakPolarHBondContact OD1-CB 3.48Å; N211-E214 PolarHBondContact OD1-N 2.82Å; N211-K215 PolarHBondContact O-N 2.88Å
212	E	89.7	Confident	86	Confident	175 Å²	175	68.5 Å²	68.5	82%	0.818	38%	0.378	S	S	*	.	H	α-helix	trans	-52.4	-36.9	-178.1	-63	177.1	167.4	0	0	113.2	K215 S216	E212-K215 PolarHBondContact O-N 3.24Å; E212-S216 WeakPolarHBondContact O-CB 3.11Å; E212-S216 PolarHBondContact O-N 3.43Å; E212-S216 PolarHBondContact O-OG 3.25Å
213	K	87.2	Confident	86	Confident	156 Å²	156	69.5 Å²	69.5	68%	0.678	38%	0.382	S	S	*	.	H	α-helix	trans	-69.5	-30.4	177.9	179.5	174.9	179	178.9	0	113.5	N211 S216	N211-K213 PolarHBondContact O-N 3.2Å; N211-K213 VanDerWaalsContact O-N 3.1Å; N211-K213 PolarHBondContact OD1-N 2.78Å; K213-S216 PolarHBondContact O-OG 3.4Å; K213-S216 VanDerWaalsContact O-OG 3.09Å
214	E	87.2	Confident	86.2	Confident	36 Å²	36	69 Å²	69	17%	0.168	38%	0.378	C	S	.	.	H	α-helix	trans	-77	-44	172.4	-168.1	64.6	-151.7	0	0	109.8	A210 N211 S216 K217 P220 T221	A210-E214 HydrophobicContact CB-CB 4.33Å; A210-E214 HydrophobicContact CB-CG 4.4Å; N211-E214 WeakPolarHBondContact O-CA 3.04Å; N211-E214 WeakPolarHBondContact O-CB 3.31Å; N211-E214 PolarHBondContact O-N 2.85Å; N211-E214 WeakPolarHBondContact OD1-CB 3.48Å; N211-E214 PolarHBondContact OD1-N 2.82Å; E214-S216 PolarHBondContact O-N 3.14Å; E214-K217 WeakPolarHBondContact O-CB 3.27Å; E214-K217 WeakPolarHBondContact O-CG 3.14Å; E214-K217 PolarHBondContact O-N 2.72Å; E214-K217 VanDerWaalsContact O-N 3.12Å; E214-K217 IonicContact OE1-NZ 3.46Å; E214-K217 PolarHBondContact OE1-NZ 3.2Å; E214-K217 WeakPolarHBondContact OE2-CE 3.34Å; E214-K217 IonicContact OE2-NZ 3.27Å; E214-K217 PolarHBondContact OE2-NZ 2.75Å; E214-P220 VanDerWaalsContact O-CB 3.27Å; E214-P220 WeakPolarHBondContact O-CB 3.47Å; E214-T221 WeakPolarHBondContact OE1-CB 3.28Å; E214-T221 PolarHBondContact OE1-N 2.92Å; E214-T221 VanDerWaalsContact OE1-N 3.07Å; E214-T221 PolarHBondContact OE1-OG1 3.4Å
215	K	88.5	Confident	86.4	Confident	83 Å²	83	69.5 Å²	69.5	36%	0.361	38%	0.383	S	S	.	.	H	α-helix	trans	-61	-25.5	175.9	-68.4	-173.7	173.4	-173	0	113.3	E209 A210 N211 E212 K217 L222 D226	E209-K215 IonicContact OE1-NZ 2.7Å; E209-K215 PolarHBondContact OE1-NZ 3.01Å; A210-K215 HydrophobicContact CB-CD 4.46Å; A210-K215 HydrophobicContact CB-CG 3.88Å; A210-K215 WeakPolarHBondContact O-CE 3.13Å; N211-K215 PolarHBondContact O-N 2.88Å; E212-K215 PolarHBondContact O-N 3.24Å; K215-K217 VanDerWaalsContact C-N 3.31Å; K215-K217 PolarHBondContact O-N 3.45Å; K215-L222 HydrophobicContact CG-CD2 4.5Å; K215-D226 WeakPolarHBondContact CE-OD1 3.37Å; K215-D226 IonicContact NZ-OD1 2.72Å; K215-D226 PolarHBondContact NZ-OD1 2.94Å
216	S	89	Confident	87.3	Confident	93 Å²	93	65.4 Å²	65.4	65%	0.65	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	2.7	175.9	73.8	0	0	0	0	115.1	E212 K213 E214	E212-S216 WeakPolarHBondContact O-CB 3.11Å; E212-S216 PolarHBondContact O-N 3.43Å; E212-S216 PolarHBondContact O-OG 3.25Å; K213-S216 PolarHBondContact O-OG 3.4Å; K213-S216 VanDerWaalsContact O-OG 3.09Å; E214-S216 PolarHBondContact O-N 3.14Å
217	K	87.8	Confident	87.9	Confident	52 Å²	52	61.1 Å²	61.1	23%	0.226	32%	0.322	C	S	.	.	S	Bend	trans	-84	155.4	175.2	-65.1	-176.9	-172.2	170.7	0	111.2	T115 E214 K215 L219	T115-K217 WeakPolarHBondContact O-CE 3.31Å; T115-K217 PolarHBondContact O-NZ 3.15Å; E214-K217 WeakPolarHBondContact O-CB 3.27Å; E214-K217 WeakPolarHBondContact O-CG 3.14Å; E214-K217 PolarHBondContact O-N 2.72Å; E214-K217 VanDerWaalsContact O-N 3.12Å; E214-K217 IonicContact OE1-NZ 3.46Å; E214-K217 PolarHBondContact OE1-NZ 3.2Å; E214-K217 WeakPolarHBondContact OE2-CE 3.34Å; E214-K217 IonicContact OE2-NZ 3.27Å; E214-K217 PolarHBondContact OE2-NZ 2.75Å; K215-K217 VanDerWaalsContact C-N 3.31Å; K215-K217 PolarHBondContact O-N 3.45Å; K217-L219 VanDerWaalsContact C-N 3.29Å; K217-L219 PolarHBondContact O-N 3.13Å
218	P	85.9	Confident	88.4	Confident	142 Å²	142	59.8 Å²	59.8	92%	0.922	31%	0.314	S	S	*	.	S	Bend	trans	-56.7	-38.8	173.8	-25.8	35	0	0	0	113.9
219	L	87.6	Confident	88.3	Confident	23 Å²	23	64.4 Å²	64.4	12%	0.12	34%	0.344	C	S	.	.	S	Bend	trans	-124.5	94.7	167.4	-171.7	73.7	0	0	0	110.8	I195 H196 K198 K217 V327	I195-L219 HydrophobicContact CB-CD2 4.19Å; I195-L219 HydrophobicContact CG2-CD2 3.89Å; H196-L219 VanDerWaalsContact O-CD1 3.25Å; H196-L219 WeakPolarHBondContact O-CD1 3.49Å; K198-L219 HydrophobicContact CB-CD1 4.47Å; K198-L219 HydrophobicContact CB-CD2 3.98Å; K198-L219 HydrophobicContact CB-CG 4.2Å; K198-L219 HydrophobicContact CD-CD2 4.16Å; K198-L219 PolarHBondContact NZ-O 3.23Å; K217-L219 VanDerWaalsContact C-N 3.29Å; K217-L219 PolarHBondContact O-N 3.13Å; L219-V327 HydrophobicContact CB-CG2 4.45Å; L219-V327 HydrophobicContact CD2-CB 4.01Å; L219-V327 HydrophobicContact CD2-CG1 3.55Å; L219-V327 HydrophobicContact CD2-CG2 3.58Å
220	P	89.1	Confident	87.9	Confident	28 Å²	28	62.2 Å²	62.2	18%	0.182	34%	0.336	C	S	.	.			trans	-67.5	151.1	179.5	30.1	-36.2	0	0	0	111.7	K198 E214 L222	K198-P220 WeakPolarHBondContact CE-O 3.45Å; E214-P220 VanDerWaalsContact O-CB 3.27Å; E214-P220 WeakPolarHBondContact O-CB 3.47Å; P220-L222 HydrophobicContact CB-CD2 4.09Å; P220-L222 HydrophobicContact CB-CG 4.41Å; P220-L222 HydrophobicContact CG-CD2 4.06Å; P220-L222 HydrophobicContact CG-CG 4.15Å; P220-L222 PolarHBondContact O-N 2.92Å
221	T	89.3	Confident	86.6	Confident	15 Å²	15	69.5 Å²	69.5	9%	0.092	37%	0.373	C	S	.	.			trans	-90.9	92.9	165.2	-38.9	0	0	0	0	108.9	K198 D200 A210 E214 D331	K198-T221 HydrophobicContact CD-CG2 4.49Å; K198-T221 VanDerWaalsContact CE-OG1 3.27Å; K198-T221 WeakPolarHBondContact CE-OG1 3.49Å; K198-T221 PolarHBondContact NZ-OG1 3.21Å; D200-T221 HydrophobicContact CB-CG2 4.15Å; A210-T221 WeakPolarHBondContact CB-O 3.49Å; E214-T221 WeakPolarHBondContact OE1-CB 3.28Å; E214-T221 PolarHBondContact OE1-N 2.92Å; E214-T221 VanDerWaalsContact OE1-N 3.07Å; E214-T221 PolarHBondContact OE1-OG1 3.4Å; T221-D331 PolarHBondContact OG1-O 3.12Å
222	L	91.3	Very high	85.4	Confident	20 Å²	20	65.7 Å²	65.7	11%	0.105	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	165.7	176.7	-61	-179.7	0	0	0	110.6	K198 Y199 D200 A210 K215 P220 D226	K198-L222 WeakPolarHBondContact O-CB 3.37Å; K198-L222 PolarHBondContact O-N 3.27Å; Y199-L222 CarbonylContact C-O 3.59Å; Y199-L222 VanDerWaalsContact CA-O 3.29Å; Y199-L222 WeakPolarHBondContact CA-O 3.3Å; Y199-L222 HydrophobicContact CD1-CB 3.41Å; Y199-L222 VanDerWaalsContact CD1-CB 3.41Å; Y199-L222 HydrophobicContact CD1-CD1 4.12Å; Y199-L222 HydrophobicContact CD1-CG 4.38Å; Y199-L222 HydrophobicContact CE1-CB 3.83Å; Y199-L222 HydrophobicContact CE1-CD1 3.63Å; Y199-L222 HydrophobicContact CE1-CG 4.38Å; Y199-L222 HydrophobicContact CG-CB 4.28Å; D200-L222 PolarHBondContact N-O 2.94Å; A210-L222 HydrophobicContact CB-CD2 4.13Å; K215-L222 HydrophobicContact CG-CD2 4.5Å; P220-L222 HydrophobicContact CB-CD2 4.09Å; P220-L222 HydrophobicContact CB-CG 4.41Å; P220-L222 HydrophobicContact CG-CD2 4.06Å; P220-L222 HydrophobicContact CG-CG 4.15Å; P220-L222 PolarHBondContact O-N 2.92Å; L222-D226 HydrophobicContact CB-CB 3.81Å; L222-D226 HydrophobicContact CD2-CB 4.08Å; L222-D226 HydrophobicContact CG-CB 4.34Å
223	K	92.2	Very high	85	Confident	45 Å²	45	61.7 Å²	61.7	20%	0.196	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	-173.9	-177.5	-62.6	-175	-161.9	154.8	0	112.4	D200 D207 R208 E209 A225 D226 F227	D200-K223 WeakPolarHBondContact O-CA 3.31Å; D207-K223 PolarHBondContact O-NZ 3.26Å; R208-K223 VanDerWaalsContact C-CB 3.49Å; R208-K223 HydrophobicContact CB-CB 4.46Å; R208-K223 CarbonylContact O-C 3.57Å; R208-K223 WeakPolarHBondContact O-CB 3.13Å; E209-K223 WeakPolarHBondContact O-CD 3.45Å; E209-K223 WeakPolarHBondContact O-CE 3.4Å; E209-K223 PolarHBondContact O-NZ 3.22Å; K223-A225 VanDerWaalsContact C-N 3.33Å; K223-A225 PolarHBondContact O-N 2.83Å; K223-D226 PolarHBondContact N-OD2 3.47Å; K223-D226 WeakPolarHBondContact O-CB 3.38Å; K223-D226 PolarHBondContact O-N 3.39Å; K223-D226 VanDerWaalsContact O-N 3.08Å; K223-F227 WeakPolarHBondContact O-CB 3.44Å; K223-F227 PolarHBondContact O-N 2.83Å
224	D	91.2	Very high	85	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.011	30%	0.302	C	S	.	.	H	α-helix	trans	-50.1	-45.1	-174.4	-44.2	-144.9	0	0	0	113.3	K202 G203 S204 R208 L228 F494	K202-D224 PolarHBondContact N-OD1 3.5Å; K202-D224 PolarHBondContact N-OD2 3.37Å; G203-D224 WeakPolarHBondContact CA-OD1 3.41Å; G203-D224 PolarHBondContact N-OD1 2.96Å; S204-D224 PolarHBondContact N-OD1 3.01Å; R208-D224 HydrophobicContact CB-CB 3.82Å; R208-D224 HydrophobicContact CG-CB 4.47Å; R208-D224 IonicContact CZ-OD2 3.44Å; R208-D224 IonicContact NE-OD1 3.44Å; R208-D224 IonicContact NE-OD2 3.35Å; R208-D224 PolarHBondContact NE-OD2 2.91Å; R208-D224 IonicContact NH2-OD2 2.69Å; R208-D224 PolarHBondContact NH2-OD2 3.45Å; R208-D224 PolarHBondContact O-N 2.91Å; D224-L228 WeakPolarHBondContact O-CG 3.37Å; D224-L228 PolarHBondContact O-N 3.44Å; D224-F494 HydrophobicContact CB-CE1 4.18Å; D224-F494 HydrophobicContact CB-CE2 4.22Å; D224-F494 HydrophobicContact CB-CZ 3.68Å
225	A	88.2	Confident	85.2	Confident	36 Å²	36	55.4 Å²	55.4	30%	0.298	31%	0.307	S	S	.	.	H	α-helix	trans	-73.8	-35.7	179.8	0	0	0	0	0	112.6	R208 E209 K223 T229	R208-A225 VanDerWaalsContact O-CB 3.25Å; R208-A225 WeakPolarHBondContact O-CB 3.37Å; R208-A225 PolarHBondContact O-N 3.18Å; E209-A225 HydrophobicContact CB-CB 4.32Å; K223-A225 VanDerWaalsContact C-N 3.33Å; K223-A225 PolarHBondContact O-N 2.83Å; A225-T229 WeakPolarHBondContact O-CB 3.43Å; A225-T229 PolarHBondContact O-N 2.9Å; A225-T229 VanDerWaalsContact O-N 3.12Å; A225-T229 PolarHBondContact O-OG1 3.15Å
226	D	90.4	Very high	85.3	Confident	7 Å²	7	51.7 Å²	51.7	4%	0.037	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-45.2	173.6	-55.3	-71.8	0	0	0	110.2	E209 A210 K215 L222 K223 L228 T229 D230	E209-D226 WeakPolarHBondContact CA-OD2 3.38Å; E209-D226 VanDerWaalsContact CG-OD1 3.27Å; E209-D226 WeakPolarHBondContact CG-OD1 3.46Å; A210-D226 PolarHBondContact N-OD2 3.2Å; K215-D226 WeakPolarHBondContact CE-OD1 3.37Å; K215-D226 IonicContact NZ-OD1 2.72Å; K215-D226 PolarHBondContact NZ-OD1 2.94Å; L222-D226 HydrophobicContact CB-CB 3.81Å; L222-D226 HydrophobicContact CD2-CB 4.08Å; L222-D226 HydrophobicContact CG-CB 4.34Å; K223-D226 PolarHBondContact N-OD2 3.47Å; K223-D226 WeakPolarHBondContact O-CB 3.38Å; K223-D226 PolarHBondContact O-N 3.39Å; K223-D226 VanDerWaalsContact O-N 3.08Å; D226-L228 PolarHBondContact O-N 3.39Å; D226-T229 PolarHBondContact O-N 3.33Å; D226-D230 WeakPolarHBondContact O-CB 3.37Å; D226-D230 PolarHBondContact O-N 3.25Å
227	F	88.2	Confident	85.5	Confident	4 Å²	4	48.3 Å²	48.3	2%	0.018	27%	0.271	C	S	.	.	H	α-helix	trans	-57.8	-44.7	179.1	-173.3	-82	0	0	0	112.3	Y199 L201 K223 T229 C232 M234 I267 C498	Y199-F227 HydrophobicContact CD1-CB 3.87Å; Y199-F227 AromaticContact CD1-CD2 3.63Å; Y199-F227 HydrophobicContact CD1-CD2 3.63Å; Y199-F227 HydrophobicContact CD1-CG 4.24Å; Y199-F227 AromaticContact CD2-CD2 3.8Å; Y199-F227 HydrophobicContact CD2-CD2 3.8Å; Y199-F227 HydrophobicContact CD2-CE2 4.14Å; Y199-F227 HydrophobicContact CE1-CB 4.09Å; Y199-F227 AromaticContact CE1-CD2 3.79Å; Y199-F227 HydrophobicContact CE1-CD2 3.79Å; Y199-F227 HydrophobicContact CE1-CG 4.37Å; Y199-F227 AromaticContact CE2-CD2 3.91Å; Y199-F227 HydrophobicContact CE2-CD2 3.91Å; Y199-F227 HydrophobicContact CE2-CE2 4.15Å; Y199-F227 AromaticContact CG-CD2 3.63Å; Y199-F227 HydrophobicContact CG-CD2 3.63Å; Y199-F227 HydrophobicContact CG-CE2 4.39Å; Y199-F227 AromaticContact CZ-CD2 3.9Å; L201-F227 HydrophobicContact CD1-CD2 4.27Å; L201-F227 HydrophobicContact CD1-CE2 4.41Å; L201-F227 HydrophobicContact CD2-CB 3.97Å; L201-F227 HydrophobicContact CD2-CD2 4.29Å; L201-F227 HydrophobicContact CD2-CG 4.17Å; K223-F227 WeakPolarHBondContact O-CB 3.44Å; K223-F227 PolarHBondContact O-N 2.83Å; F227-T229 VanDerWaalsContact C-N 3.33Å; F227-C232 WeakPolarHBondContact CE1-O 3.37Å; F227-C232 HydrophobicContact CE2-CB 4.41Å; F227-C232 HydrophobicContact CZ-CB 4.44Å; F227-C232 WeakPolarHBondContact CZ-O 3.14Å; F227-M234 HydrophobicContact CZ-CG 4.23Å; F227-I267 HydrophobicContact CE2-CD1 4.29Å; F227-C498 HydrophobicContact CD1-CB 4.41Å; F227-C498 HydrophobicContact CE1-CB 3.45Å; F227-C498 VanDerWaalsContact CE1-CB 3.45Å; F227-C498 WeakPolarHBondContact CE1-SG 3.49Å; F227-C498 HydrophobicContact CZ-CB 3.83Å
228	L	85.7	Confident	85.7	Confident	102 Å²	102	53.9 Å²	53.9	53%	0.534	30%	0.298	S	S	.	.	H	α-helix	trans	-65.4	-34.9	174.4	-70.1	177.2	0	0	0	112.8	D224 D226 F494	D224-L228 WeakPolarHBondContact O-CG 3.37Å; D224-L228 PolarHBondContact O-N 3.44Å; D226-L228 PolarHBondContact O-N 3.39Å; L228-F494 HydrophobicContact CD1-CE2 4.12Å; L228-F494 HydrophobicContact CD2-CE2 4.25Å; L228-F494 HydrophobicContact CG-CE2 4.18Å; L228-F494 HydrophobicContact CG-CZ 4.36Å
229	T	83.3	Confident	86.1	Confident	112 Å²	112	55.2 Å²	55.2	69%	0.687	29%	0.292	S	S	*	.	H	α-helix	trans	-75.7	-35.4	-178.4	-56.7	0	0	0	0	112.1	A225 D226 F227 L231	A225-T229 WeakPolarHBondContact O-CB 3.43Å; A225-T229 PolarHBondContact O-N 2.9Å; A225-T229 VanDerWaalsContact O-N 3.12Å; A225-T229 PolarHBondContact O-OG1 3.15Å; D226-T229 PolarHBondContact O-N 3.33Å; F227-T229 VanDerWaalsContact C-N 3.33Å; T229-L231 PolarHBondContact O-N 3.45Å
230	D	78.7	Confident	86.4	Confident	67 Å²	67	56.7 Å²	56.7	36%	0.358	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-1.9	176.2	-92.1	30.4	0	0	0	113.4	K197 Y199 D226 C232	K197-D230 IonicContact NZ-OD2 2.81Å; K197-D230 PolarHBondContact NZ-OD2 3.13Å; K197-D230 VanDerWaalsContact NZ-OD2 3.08Å; Y199-D230 PolarHBondContact OH-OD2 2.69Å; D226-D230 WeakPolarHBondContact O-CB 3.37Å; D226-D230 PolarHBondContact O-N 3.25Å; D230-C232 HydrophobicContact CB-CB 4.07Å; D230-C232 PolarHBondContact O-N 3.1Å
231	L	59.9	Low	86.6	Confident	158 Å²	158	57.4 Å²	57.4	83%	0.827	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.8	25.5	-170.8	-64.2	173.1	0	0	0	112.6	T229 K233	T229-L231 PolarHBondContact O-N 3.45Å; L231-K233 PolarHBondContact O-N 3.09Å
232	C	63.6	Low	87	Confident	23 Å²	23	64.3 Å²	64.3	16%	0.155	33%	0.333	C	S	.	.			trans	-79.9	91.6	-171.9	-165.7	0	0	0	0	109.4	F227 D230	F227-C232 WeakPolarHBondContact CE1-O 3.37Å; F227-C232 HydrophobicContact CE2-CB 4.41Å; F227-C232 HydrophobicContact CZ-CB 4.44Å; F227-C232 WeakPolarHBondContact CZ-O 3.14Å; D230-C232 HydrophobicContact CB-CB 4.07Å; D230-C232 PolarHBondContact O-N 3.1Å
233	K	81.2	Confident	87.2	Confident	92 Å²	92	69.2 Å²	69.2	40%	0.4	35%	0.354	S	S	.	.			trans	-81.8	139.7	158	-72.8	-167.5	176.3	-179.5	0	109.9	L231 H235 C498 D500	L231-K233 PolarHBondContact O-N 3.09Å; K233-H235 PolarHBondContact O-N 3.24Å; K233-C498 WeakPolarHBondContact CA-O 3.27Å; K233-D500 HydrophobicContact CB-CB 4.19Å; K233-D500 HydrophobicContact CD-CB 3.72Å; K233-D500 WeakPolarHBondContact CD-OD1 3.43Å; K233-D500 IonicContact NZ-OD1 2.61Å; K233-D500 PolarHBondContact NZ-OD1 3.35Å; K233-D500 IonicContact NZ-OD2 3.71Å
234	M	87.6	Confident	87.3	Confident	1 Å²	1	67.4 Å²	67.4	1%	0.005	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-79.2	102.6	166.8	-58.7	174.2	78.4	0	0	107.9	F227 I236 I267 Y449 V451 C498 I499 D500	F227-M234 HydrophobicContact CZ-CG 4.23Å; M234-I236 HydrophobicContact CB-CD1 3.84Å; M234-I236 HydrophobicContact CB-CG1 4.12Å; M234-I236 HydrophobicContact CE-CD1 3.69Å; M234-I236 PolarHBondContact O-N 3.44Å; M234-I236 VanDerWaalsContact O-N 3.09Å; M234-I236 HydrophobicContact SD-CD1 4.49Å; M234-I267 HydrophobicContact CE-CD1 4.2Å; M234-I267 HydrophobicContact CE-CG2 4.24Å; M234-I267 HydrophobicContact SD-CD1 3.64Å; M234-Y449 HydrophobicContact CB-CE1 4.3Å; M234-Y449 HydrophobicContact CB-CE2 4.38Å; M234-Y449 HydrophobicContact CE-CD1 3.87Å; M234-Y449 HydrophobicContact CE-CD2 4.26Å; M234-Y449 HydrophobicContact CE-CG 3.65Å; M234-Y449 HydrophobicContact CG-CD1 4.25Å; M234-Y449 HydrophobicContact CG-CE1 4.16Å; M234-V451 HydrophobicContact CE-CG2 3.53Å; M234-C498 PolarHBondContact N-O 3.05Å; M234-I499 HydrophobicContact CB-CG1 4.23Å; M234-I499 WeakPolarHBondContact O-CA 3.39Å; M234-I499 WeakPolarHBondContact O-CG2 3.31Å; M234-I499 HydrophobicContact SD-CG1 4.2Å; M234-D500 PolarHBondContact O-N 3.01Å
235	H	90.8	Very high	87.6	Confident	59 Å²	59	68.3 Å²	68.3	27%	0.273	35%	0.351	S	S	.	.			trans	-77.3	93.6	175.9	-65.6	-66.1	0	0	0	108.9	K233 S439 S440 Y449 D500	K233-H235 PolarHBondContact O-N 3.24Å; H235-S439 CarbonylContact O-C 3.48Å; H235-S439 WeakPolarHBondContact O-CA 3.35Å; H235-S439 VanDerWaalsContact O-CB 3.3Å; H235-S439 WeakPolarHBondContact O-CB 3.03Å; H235-S440 PolarHBondContact O-N 3.13Å; H235-Y449 PolarHBondContact N-OH 2.75Å; H235-D500 IonicContact CE1-OD2 2.58Å; H235-D500 PolarHBondContact CE1-OD2 3.4Å; H235-D500 VanDerWaalsContact CE1-OD2 3.27Å; H235-D500 WeakPolarHBondContact ND1-CB 3.43Å; H235-D500 IonicContact ND1-OD2 2.88Å; H235-D500 PolarHBondContact ND1-OD2 3.31Å
236	I	91.1	Very high	88	Confident	4 Å²	4	69.6 Å²	69.6	2%	0.021	36%	0.357	C	S	.	.			trans	-121.3	128.5	-174.6	-66.6	172.3	0	0	0	108.7	M234 S240 K241 M244 I437 Y449 I499 D500	M234-I236 HydrophobicContact CB-CD1 3.84Å; M234-I236 HydrophobicContact CB-CG1 4.12Å; M234-I236 HydrophobicContact CE-CD1 3.69Å; M234-I236 PolarHBondContact O-N 3.44Å; M234-I236 VanDerWaalsContact O-N 3.09Å; M234-I236 HydrophobicContact SD-CD1 4.49Å; I236-S240 VanDerWaalsContact CG2-CB 3.4Å; I236-K241 HydrophobicContact CG2-CB 4.36Å; I236-M244 HydrophobicContact CD1-SD 4.27Å; I236-I437 HydrophobicContact CD1-CG2 4.06Å; I236-I437 HydrophobicContact CG1-CG2 4.23Å; I236-I437 HydrophobicContact CG2-CG2 3.81Å; I236-Y449 HydrophobicContact CD1-CD2 4Å; I236-Y449 HydrophobicContact CD1-CE2 4.41Å; I236-Y449 HydrophobicContact CG1-CD2 3.85Å; I236-Y449 HydrophobicContact CG1-CE2 3.86Å; I236-I499 HydrophobicContact CB-CG2 4.12Å; I236-I499 HydrophobicContact CD1-CG2 4.46Å; I236-D500 PolarHBondContact N-O 3.08Å
237	G	91.7	Very high	88.3	Confident	22 Å²	22	70.5 Å²	70.5	23%	0.227	36%	0.364	C	S	.	.			trans	-56.3	145.7	-179.4	0	0	0	0	0	113.1	E239 S240 K241	G237-E239 VanDerWaalsContact C-N 3.3Å; G237-E239 PolarHBondContact O-N 3.32Å; G237-E239 VanDerWaalsContact O-N 3.1Å; G237-S240 WeakPolarHBondContact O-CA 3.41Å; G237-S240 WeakPolarHBondContact O-CB 3.37Å; G237-S240 PolarHBondContact O-N 2.93Å; G237-K241 PolarHBondContact O-N 3.11Å
238	E	93.1	Very high	88.7	Confident	169 Å²	169	70.3 Å²	70.3	79%	0.79	36%	0.363	S	S	*	.	H	α-helix	trans	-49.6	-43.2	-167.9	-169.3	-172.9	164	0	0	114.1	K241 K242	E238-K241 PolarHBondContact O-N 3.17Å; E238-K242 VanDerWaalsContact O-CB 3.31Å; E238-K242 WeakPolarHBondContact O-CB 3.28Å; E238-K242 PolarHBondContact O-N 3.06Å
239	E	94.2	Very high	89.3	Confident	170 Å²	170	70.2 Å²	70.2	79%	0.794	36%	0.359	S	S	*	.	H	α-helix	trans	-61.9	-44.6	177.2	-174.9	-179.1	-175.2	0	0	112.2	G237 K243	G237-E239 VanDerWaalsContact C-N 3.3Å; G237-E239 PolarHBondContact O-N 3.32Å; G237-E239 VanDerWaalsContact O-N 3.1Å; E239-K243 WeakPolarHBondContact O-CB 3.39Å; E239-K243 PolarHBondContact O-N 3.17Å
240	S	93.6	Very high	90	Very high	54 Å²	54	67.5 Å²	67.5	38%	0.378	35%	0.345	S	S	.	.	H	α-helix	trans	-69.8	-39	178.2	-69.8	0	0	0	0	111.6	I236 G237 K243 M244	I236-S240 VanDerWaalsContact CG2-CB 3.4Å; G237-S240 WeakPolarHBondContact O-CA 3.41Å; G237-S240 WeakPolarHBondContact O-CB 3.37Å; G237-S240 PolarHBondContact O-N 2.93Å; S240-K243 PolarHBondContact O-N 3.02Å; S240-M244 VanDerWaalsContact O-CB 3.25Å; S240-M244 WeakPolarHBondContact O-CB 3.42Å; S240-M244 PolarHBondContact O-N 3.09Å
241	K	94.6	Very high	90.9	Very high	44 Å²	44	64.3 Å²	64.3	19%	0.191	33%	0.328	C	S	.	.	H	α-helix	trans	-58.5	-51	173	178.8	173	-164.6	170	0	110.9	I236 G237 E238 K243 M244 L245 I499 D500	I236-K241 HydrophobicContact CG2-CB 4.36Å; G237-K241 PolarHBondContact O-N 3.11Å; E238-K241 PolarHBondContact O-N 3.17Å; K241-K243 PolarHBondContact O-N 2.72Å; K241-M244 PolarHBondContact O-N 2.73Å; K241-L245 HydrophobicContact CG-CD1 4.02Å; K241-L245 WeakPolarHBondContact O-CB 3.41Å; K241-L245 WeakPolarHBondContact O-CG 3.27Å; K241-L245 PolarHBondContact O-N 3.09Å; K241-I499 HydrophobicContact CB-CG2 4.34Å; K241-I499 HydrophobicContact CD-CB 4.47Å; K241-I499 HydrophobicContact CD-CG2 3.69Å; K241-I499 HydrophobicContact CG-CG2 3.82Å; K241-I499 PolarHBondContact NZ-O 3.28Å; K241-D500 PolarHBondContact NZ-OXT 3.49Å
242	K	95.8	Very high	92.7	Very high	159 Å²	159	57.1 Å²	57.1	69%	0.691	29%	0.29	S	S	*	.	H	α-helix	trans	-60.8	-44.4	177.6	-175.5	177	-177.6	176.1	0	112.5	E238 S246	E238-K242 VanDerWaalsContact O-CB 3.31Å; E238-K242 WeakPolarHBondContact O-CB 3.28Å; E238-K242 PolarHBondContact O-N 3.06Å; K242-S246 VanDerWaalsContact O-CB 3.26Å; K242-S246 WeakPolarHBondContact O-CB 3.43Å; K242-S246 PolarHBondContact O-N 3.43Å
243	K	95.6	Very high	94.2	Very high	124 Å²	124	61.1 Å²	61.1	54%	0.539	31%	0.306	S	S	.	.	H	α-helix	trans	-62.9	-45.5	176.4	-174.8	-175.7	176.2	-170.8	0	111.5	E239 S240 K241 T247	E239-K243 WeakPolarHBondContact O-CB 3.39Å; E239-K243 PolarHBondContact O-N 3.17Å; S240-K243 PolarHBondContact O-N 3.02Å; K241-K243 PolarHBondContact O-N 2.72Å; K243-T247 WeakPolarHBondContact O-CB 3.33Å; K243-T247 PolarHBondContact O-N 3.29Å; K243-T247 PolarHBondContact O-OG1 3.01Å
244	M	95.4	Very high	95	Very high	6 Å²	6	57 Å²	57	3%	0.03	29%	0.288	C	S	.	.	H	α-helix	trans	-63.1	-51	-179.9	178.9	-176.5	145.7	0	0	111.3	L163 I236 S240 K241 T247 L248 I437 V451 V495 I499	L163-M244 HydrophobicContact CD1-CG 4.41Å; I236-M244 HydrophobicContact CD1-SD 4.27Å; S240-M244 VanDerWaalsContact O-CB 3.25Å; S240-M244 WeakPolarHBondContact O-CB 3.42Å; S240-M244 PolarHBondContact O-N 3.09Å; K241-M244 PolarHBondContact O-N 2.73Å; M244-T247 PolarHBondContact O-N 3.18Å; M244-L248 WeakPolarHBondContact O-CB 3.3Å; M244-L248 PolarHBondContact O-N 2.83Å; M244-I437 HydrophobicContact CB-CD1 4.15Å; M244-I437 HydrophobicContact CG-CD1 4.02Å; M244-I437 HydrophobicContact SD-CD1 3.66Å; M244-V451 HydrophobicContact CE-CG1 3.92Å; M244-V451 HydrophobicContact SD-CG1 4.47Å; M244-V495 HydrophobicContact CE-CG1 3.72Å; M244-I499 HydrophobicContact CE-CD1 3.65Å; M244-I499 HydrophobicContact SD-CD1 4.08Å
245	L	96.5	Very high	95.4	Very high	21 Å²	21	57 Å²	57	11%	0.11	29%	0.288	C	S	.	.	H	α-helix	trans	-62.3	-45.4	179.7	-70.4	174.3	0	0	0	111.7	K241 T247 L248 E249 L492 V495 E496 I499	K241-L245 HydrophobicContact CG-CD1 4.02Å; K241-L245 WeakPolarHBondContact O-CB 3.41Å; K241-L245 WeakPolarHBondContact O-CG 3.27Å; K241-L245 PolarHBondContact O-N 3.09Å; L245-T247 VanDerWaalsContact C-N 3.28Å; L245-T247 PolarHBondContact O-N 3.28Å; L245-L248 PolarHBondContact O-N 2.92Å; L245-E249 WeakPolarHBondContact O-CB 3.35Å; L245-E249 WeakPolarHBondContact O-CG 3.4Å; L245-E249 PolarHBondContact O-N 2.99Å; L245-L492 HydrophobicContact CD2-CD1 4.43Å; L245-V495 HydrophobicContact CD2-CG1 4.47Å; L245-E496 HydrophobicContact CD1-CG 4.41Å; L245-E496 HydrophobicContact CD2-CB 4.47Å; L245-I499 HydrophobicContact CD2-CD1 4.19Å; L245-I499 HydrophobicContact CG-CD1 4.5Å
246	S	96.9	Very high	95.6	Very high	63 Å²	63	56.4 Å²	56.4	44%	0.441	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-33.3	176.8	-178.8	0	0	0	0	113	K242 C250	K242-S246 VanDerWaalsContact O-CB 3.26Å; K242-S246 WeakPolarHBondContact O-CB 3.43Å; K242-S246 PolarHBondContact O-N 3.43Å; S246-C250 PolarHBondContact O-N 2.93Å; S246-C250 PolarHBondContact O-SG 2.84Å
247	T	97.4	Very high	95.7	Very high	27 Å²	27	62.2 Å²	62.2	17%	0.166	31%	0.312	C	S	.	.	H	α-helix	trans	-71.6	-44.3	174.1	-52.8	0	0	0	0	110.8	L163 K243 M244 L245 E249 C250 D251	L163-T247 HydrophobicContact CG-CG2 4.04Å; K243-T247 WeakPolarHBondContact O-CB 3.33Å; K243-T247 PolarHBondContact O-N 3.29Å; K243-T247 PolarHBondContact O-OG1 3.01Å; M244-T247 PolarHBondContact O-N 3.18Å; L245-T247 VanDerWaalsContact C-N 3.28Å; L245-T247 PolarHBondContact O-N 3.28Å; T247-E249 VanDerWaalsContact C-N 3.34Å; T247-E249 PolarHBondContact O-N 2.8Å; T247-C250 PolarHBondContact O-N 3.49Å; T247-D251 WeakPolarHBondContact O-CB 3.43Å; T247-D251 PolarHBondContact O-N 2.86Å
248	L	97.3	Very high	95.8	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-61.7	-39	177.5	-178.3	58.7	0	0	0	112.2	L163 M244 L245 D251 I252 L265 I453 L492 V495	L163-L248 HydrophobicContact CD1-CB 3.96Å; L163-L248 HydrophobicContact CD1-CD1 4.22Å; M244-L248 WeakPolarHBondContact O-CB 3.3Å; M244-L248 PolarHBondContact O-N 2.83Å; L245-L248 PolarHBondContact O-N 2.92Å; L248-D251 PolarHBondContact O-N 2.86Å; L248-I252 HydrophobicContact CD1-CD1 3.72Å; L248-I252 HydrophobicContact CD1-CG1 4.04Å; L248-I252 HydrophobicContact CG-CD1 3.79Å; L248-I252 HydrophobicContact CG-CG1 4.46Å; L248-I252 VanDerWaalsContact O-CB 3.26Å; L248-I252 WeakPolarHBondContact O-CB 3.36Å; L248-I252 VanDerWaalsContact O-CG1 3.23Å; L248-I252 WeakPolarHBondContact O-CG1 3.15Å; L248-I252 PolarHBondContact O-N 2.81Å; L248-L265 HydrophobicContact CD1-CD1 4.17Å; L248-I453 HydrophobicContact CD1-CD1 3.79Å; L248-I453 HydrophobicContact CD1-CG1 4.07Å; L248-L492 HydrophobicContact CD2-CD1 4.02Å; L248-L492 HydrophobicContact CG-CD1 4.07Å; L248-V495 HydrophobicContact CD2-CB 3.96Å; L248-V495 HydrophobicContact CD2-CG1 3.64Å; L248-V495 HydrophobicContact CD2-CG2 4.22Å
249	E	97.3	Very high	95.7	Very high	99 Å²	99	57.4 Å²	57.4	46%	0.463	29%	0.287	S	S	.	.	H	α-helix	trans	-58.8	-51.9	172.2	-78.7	171.4	-172.9	0	0	111.8	L245 T247 D251 I252 Q253 L492	L245-E249 WeakPolarHBondContact O-CB 3.35Å; L245-E249 WeakPolarHBondContact O-CG 3.4Å; L245-E249 PolarHBondContact O-N 2.99Å; T247-E249 VanDerWaalsContact C-N 3.34Å; T247-E249 PolarHBondContact O-N 2.8Å; E249-D251 VanDerWaalsContact C-N 3.33Å; E249-D251 PolarHBondContact O-N 3.44Å; E249-I252 PolarHBondContact O-N 2.92Å; E249-Q253 WeakPolarHBondContact O-CB 3.48Å; E249-Q253 PolarHBondContact O-N 2.56Å; E249-L492 HydrophobicContact CG-CD1 3.86Å; E249-L492 HydrophobicContact CG-CD2 3.65Å; E249-L492 HydrophobicContact CG-CG 4.42Å
250	C	97.6	Very high	95.7	Very high	56 Å²	56	49.3 Å²	49.3	38%	0.378	25%	0.249	S	C	.	.	H	α-helix	trans	-59.7	-43.9	177.7	-63.8	0	0	0	0	111.8	Y154 S246 T247 Q253 F254	Y154-C250 HydrophobicContact CE2-CB 4.48Å; Y154-C250 VanDerWaalsContact OH-CB 3.26Å; Y154-C250 WeakPolarHBondContact OH-CB 3.26Å; Y154-C250 PolarHBondContact OH-O 2.87Å; S246-C250 PolarHBondContact O-N 2.93Å; S246-C250 PolarHBondContact O-SG 2.84Å; T247-C250 PolarHBondContact O-N 3.49Å; C250-Q253 PolarHBondContact O-N 3.16Å; C250-F254 PolarHBondContact O-N 3.32Å
251	D	98.2	Very high	95.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67.2	-42.6	-179.5	-70	-24.7	0	0	0	111.5	Y154 T162 L163 L164 T247 L248 E249 F254 L255 I453	Y154-D251 VanDerWaalsContact CE1-OD1 3.25Å; Y154-D251 WeakPolarHBondContact CE1-OD1 3.47Å; Y154-D251 VanDerWaalsContact CZ-OD1 3.3Å; Y154-D251 WeakPolarHBondContact OH-CA 3.22Å; Y154-D251 PolarHBondContact OH-N 2.78Å; Y154-D251 VanDerWaalsContact OH-N 3.14Å; Y154-D251 PolarHBondContact OH-OD1 3.12Å; T162-D251 WeakPolarHBondContact CB-OD1 3.26Å; T162-D251 PolarHBondContact OG1-OD1 3.31Å; T162-D251 PolarHBondContact OG1-OD2 3.2Å; L163-D251 WeakPolarHBondContact CA-OD2 3.39Å; L163-D251 VanDerWaalsContact CB-OD2 3.3Å; L163-D251 WeakPolarHBondContact CB-OD2 3.45Å; L163-D251 PolarHBondContact N-OD2 3.03Å; L164-D251 HydrophobicContact CD1-CB 4.48Å; L164-D251 HydrophobicContact CD2-CB 4.16Å; L164-D251 HydrophobicContact CG-CB 4Å; T247-D251 WeakPolarHBondContact O-CB 3.43Å; T247-D251 PolarHBondContact O-N 2.86Å; L248-D251 PolarHBondContact O-N 2.86Å; E249-D251 VanDerWaalsContact C-N 3.33Å; E249-D251 PolarHBondContact O-N 3.44Å; D251-F254 WeakPolarHBondContact O-CB 3.24Å; D251-F254 PolarHBondContact O-N 2.83Å; D251-L255 VanDerWaalsContact O-CG 3.28Å; D251-L255 WeakPolarHBondContact O-CG 3.29Å; D251-L255 PolarHBondContact O-N 2.93Å; D251-I453 HydrophobicContact CB-CD1 3.54Å
252	I	97	Very high	95.3	Very high	6 Å²	6	46.8 Å²	46.8	3%	0.031	23%	0.234	C	C	.	.	H	α-helix	trans	-64.6	-40.3	175.6	-75.1	172.8	0	0	0	110.8	L248 E249 L255 Q256 Y263 G488 L491 L492	L248-I252 HydrophobicContact CD1-CD1 3.72Å; L248-I252 HydrophobicContact CD1-CG1 4.04Å; L248-I252 HydrophobicContact CG-CD1 3.79Å; L248-I252 HydrophobicContact CG-CG1 4.46Å; L248-I252 VanDerWaalsContact O-CB 3.26Å; L248-I252 WeakPolarHBondContact O-CB 3.36Å; L248-I252 VanDerWaalsContact O-CG1 3.23Å; L248-I252 WeakPolarHBondContact O-CG1 3.15Å; L248-I252 PolarHBondContact O-N 2.81Å; E249-I252 PolarHBondContact O-N 2.92Å; I252-L255 PolarHBondContact O-N 3.09Å; I252-Q256 HydrophobicContact CG2-CG 4.36Å; I252-Q256 VanDerWaalsContact O-CG 3.26Å; I252-Q256 WeakPolarHBondContact O-CG 3.14Å; I252-Q256 PolarHBondContact O-N 2.75Å; I252-Y263 HydrophobicContact CG1-CE2 4.45Å; I252-G488 VanDerWaalsContact CG2-CA 3.48Å; I252-L491 HydrophobicContact CD1-CB 4.5Å; I252-L491 HydrophobicContact CD1-CD2 4.28Å; I252-L491 HydrophobicContact CD1-CG 4.43Å; I252-L492 HydrophobicContact CD1-CB 4.05Å
253	Q	96.4	Very high	95.2	Very high	107 Å²	107	39.2 Å²	39.2	50%	0.5	20%	0.201	S	C	.	.	H	α-helix	trans	-59.8	-46.7	174.2	-177.6	-177.3	-21.7	0	0	111.1	E249 C250 L255 Q256 E257	E249-Q253 WeakPolarHBondContact O-CB 3.48Å; E249-Q253 PolarHBondContact O-N 2.56Å; C250-Q253 PolarHBondContact O-N 3.16Å; Q253-L255 VanDerWaalsContact C-N 3.3Å; Q253-L255 PolarHBondContact O-N 2.89Å; Q253-Q256 WeakPolarHBondContact O-CB 3.21Å; Q253-Q256 PolarHBondContact O-N 3.27Å; Q253-Q256 VanDerWaalsContact O-N 3.15Å; Q253-E257 HydrophobicContact CG-CG 4.48Å; Q253-E257 WeakPolarHBondContact CG-OE1 3.46Å; Q253-E257 PolarHBondContact NE2-OE1 3.48Å; Q253-E257 WeakPolarHBondContact O-CG 3.42Å; Q253-E257 PolarHBondContact O-N 2.58Å
254	F	97	Very high	95.1	Very high	7 Å²	7	33.3 Å²	33.3	3%	0.031	18%	0.175	C	C	.	.	H	α-helix	trans	-56.6	-43.2	175	168.2	-93.8	0	0	0	112.2	E150 Y151 Y154 L164 C250 D251 E257 N258	E150-F254 HydrophobicContact CB-CE2 4.08Å; Y151-F254 HydrophobicContact CD2-CE1 4.3Å; Y151-F254 HydrophobicContact CD2-CZ 4.18Å; Y154-F254 HydrophobicContact CD1-CD2 4.3Å; Y154-F254 HydrophobicContact CD1-CG 4.23Å; Y154-F254 HydrophobicContact CD2-CB 4.01Å; Y154-F254 AromaticContact CD2-CD2 3.96Å; Y154-F254 HydrophobicContact CD2-CD2 3.96Å; Y154-F254 HydrophobicContact CD2-CG 4.18Å; Y154-F254 HydrophobicContact CE1-CB 4.5Å; Y154-F254 HydrophobicContact CE2-CB 3.95Å; Y154-F254 HydrophobicContact CG-CB 4.33Å; Y154-F254 AromaticContact CG-CD2 3.74Å; Y154-F254 HydrophobicContact CG-CD2 3.74Å; Y154-F254 HydrophobicContact CG-CE2 4.31Å; Y154-F254 HydrophobicContact CG-CG 4.04Å; L164-F254 HydrophobicContact CD1-CD1 3.6Å; L164-F254 HydrophobicContact CD1-CE1 3.99Å; L164-F254 HydrophobicContact CD1-CG 4.38Å; C250-F254 PolarHBondContact O-N 3.32Å; D251-F254 WeakPolarHBondContact O-CB 3.24Å; D251-F254 PolarHBondContact O-N 2.83Å; F254-E257 PolarHBondContact O-N 2.88Å; F254-N258 WeakPolarHBondContact CE2-ND2 3.45Å; F254-N258 WeakPolarHBondContact CZ-ND2 3.46Å; F254-N258 PolarHBondContact O-N 3.3Å; F254-N258 VanDerWaalsContact O-N 3.14Å; F254-N258 PolarHBondContact O-ND2 2.82Å
255	L	96.7	Very high	95.1	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-66.1	-37.3	177.4	-66	171	0	0	0	112.4	L164 D251 I252 Q253 N258 N259 L260 Y263 I453 I456	L164-L255 HydrophobicContact CD2-CD1 3.85Å; L164-L255 HydrophobicContact CD2-CD2 3.92Å; L164-L255 HydrophobicContact CD2-CG 3.96Å; D251-L255 VanDerWaalsContact O-CG 3.28Å; D251-L255 WeakPolarHBondContact O-CG 3.29Å; D251-L255 PolarHBondContact O-N 2.93Å; I252-L255 PolarHBondContact O-N 3.09Å; Q253-L255 VanDerWaalsContact C-N 3.3Å; Q253-L255 PolarHBondContact O-N 2.89Å; L255-N258 PolarHBondContact O-N 3.16Å; L255-N259 PolarHBondContact O-N 3.19Å; L255-L260 HydrophobicContact CB-CB 4.35Å; L255-L260 HydrophobicContact CD2-CB 4.17Å; L255-L260 HydrophobicContact CD2-CD1 3.61Å; L255-L260 WeakPolarHBondContact O-CB 3.5Å; L255-L260 PolarHBondContact O-N 3.28Å; L255-Y263 HydrophobicContact CB-CD1 4.43Å; L255-Y263 HydrophobicContact CB-CE1 3.79Å; L255-Y263 HydrophobicContact CD1-CD1 3.86Å; L255-Y263 HydrophobicContact CD1-CD2 3.89Å; L255-Y263 HydrophobicContact CD1-CE1 3.77Å; L255-Y263 HydrophobicContact CD1-CE2 3.81Å; L255-Y263 HydrophobicContact CD1-CG 3.92Å; L255-Y263 HydrophobicContact CG-CE1 4.31Å; L255-I453 HydrophobicContact CD1-CD1 4.25Å; L255-I453 HydrophobicContact CD1-CG2 3.98Å; L255-I456 HydrophobicContact CD1-CG2 4.22Å; L255-I456 HydrophobicContact CD2-CB 3.75Å; L255-I456 HydrophobicContact CD2-CD1 4.16Å; L255-I456 HydrophobicContact CD2-CG2 3.82Å
256	Q	94.2	Very high	95.1	Very high	46 Å²	46	32 Å²	32	22%	0.215	17%	0.168	C	C	.	.	H	α-helix	trans	-64.7	-48.4	175.4	-72.9	171.4	-2.8	0	0	111.8	I252 Q253 N258 N259 P484 E485	I252-Q256 HydrophobicContact CG2-CG 4.36Å; I252-Q256 VanDerWaalsContact O-CG 3.26Å; I252-Q256 WeakPolarHBondContact O-CG 3.14Å; I252-Q256 PolarHBondContact O-N 2.75Å; Q253-Q256 WeakPolarHBondContact O-CB 3.21Å; Q253-Q256 PolarHBondContact O-N 3.27Å; Q253-Q256 VanDerWaalsContact O-N 3.15Å; Q256-N258 VanDerWaalsContact C-N 3.26Å; Q256-N258 PolarHBondContact O-N 2.68Å; Q256-N259 WeakPolarHBondContact O-CA 3.26Å; Q256-N259 PolarHBondContact O-N 3.36Å; Q256-P484 HydrophobicContact CG-CB 4.42Å; Q256-P484 WeakPolarHBondContact CG-O 3.36Å; Q256-E485 PolarHBondContact NE2-O 2.74Å; Q256-E485 VanDerWaalsContact NE2-O 3.16Å
257	E	93.3	Very high	95	Very high	126 Å²	126	29 Å²	29	59%	0.589	15%	0.148	S	C	*	.	H	α-helix	trans	-58	-39.2	177.6	-71.4	174.5	-173.4	0	0	111.4	Q253 F254 N259	Q253-E257 HydrophobicContact CG-CG 4.48Å; Q253-E257 WeakPolarHBondContact CG-OE1 3.46Å; Q253-E257 PolarHBondContact NE2-OE1 3.48Å; Q253-E257 WeakPolarHBondContact O-CG 3.42Å; Q253-E257 PolarHBondContact O-N 2.58Å; F254-E257 PolarHBondContact O-N 2.88Å; E257-N259 PolarHBondContact O-N 3.32Å; E257-N259 PolarHBondContact O-ND2 3.01Å; E257-N259 VanDerWaalsContact O-ND2 3.15Å
258	N	92.9	Very high	94.8	Very high	23 Å²	23	27.8 Å²	27.8	12%	0.123	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	2.7	175.7	-74.5	-88.5	0	0	0	114.4	F254 L255 Q256 L260	F254-N258 WeakPolarHBondContact CE2-ND2 3.45Å; F254-N258 WeakPolarHBondContact CZ-ND2 3.46Å; F254-N258 PolarHBondContact O-N 3.3Å; F254-N258 VanDerWaalsContact O-N 3.14Å; F254-N258 PolarHBondContact O-ND2 2.82Å; L255-N258 PolarHBondContact O-N 3.16Å; Q256-N258 VanDerWaalsContact C-N 3.26Å; Q256-N258 PolarHBondContact O-N 2.68Å; N258-L260 VanDerWaalsContact C-N 3.29Å; N258-L260 HydrophobicContact CB-CD1 3.68Å; N258-L260 HydrophobicContact CB-CG 3.81Å; N258-L260 PolarHBondContact O-N 3.2Å
259	N	92.5	Very high	94.6	Very high	68 Å²	68	28.1 Å²	28.1	36%	0.364	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	37.9	-178	-66.9	-108.6	0	0	0	113.4	L255 Q256 E257 Y460 P484	L255-N259 PolarHBondContact O-N 3.19Å; Q256-N259 WeakPolarHBondContact O-CA 3.26Å; Q256-N259 PolarHBondContact O-N 3.36Å; E257-N259 PolarHBondContact O-N 3.32Å; E257-N259 PolarHBondContact O-ND2 3.01Å; E257-N259 VanDerWaalsContact O-ND2 3.15Å; N259-Y460 VanDerWaalsContact O-CB 3.3Å; N259-Y460 WeakPolarHBondContact O-CB 3.31Å; N259-Y460 PolarHBondContact O-N 3Å; N259-P484 HydrophobicContact CB-CG 4.46Å
260	L	93.5	Very high	94.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-93	144.9	179.5	-58	170.4	0	0	0	110	Q143 M147 L255 N258 Y263 I456	Q143-L260 HydrophobicContact CG-CD2 4.07Å; M147-L260 HydrophobicContact SD-CD1 3.79Å; L255-L260 HydrophobicContact CB-CB 4.35Å; L255-L260 HydrophobicContact CD2-CB 4.17Å; L255-L260 HydrophobicContact CD2-CD1 3.61Å; L255-L260 WeakPolarHBondContact O-CB 3.5Å; L255-L260 PolarHBondContact O-N 3.28Å; N258-L260 VanDerWaalsContact C-N 3.29Å; N258-L260 HydrophobicContact CB-CD1 3.68Å; N258-L260 HydrophobicContact CB-CG 3.81Å; N258-L260 PolarHBondContact O-N 3.2Å; L260-Y263 WeakPolarHBondContact O-CE1 3.48Å; L260-I456 WeakPolarHBondContact CD1-O 3.37Å; L260-I456 WeakPolarHBondContact CD2-O 3.07Å
261	I	91.5	Very high	94.2	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	11%	0.111	C	C	.	.			trans	-143.6	-178.1	179.6	59.1	154.1	0	0	0	110.8	Y263 T458 Y460 K464 P484	I261-Y263 PolarHBondContact O-N 3.25Å; I261-T458 HydrophobicContact CG1-CG2 4.27Å; I261-T458 PolarHBondContact N-O 2.88Å; I261-T458 WeakPolarHBondContact O-CB 3.37Å; I261-Y460 HydrophobicContact CD1-CD2 3.8Å; I261-Y460 HydrophobicContact CG1-CD2 4.42Å; I261-Y460 HydrophobicContact CG2-CD2 4.44Å; I261-K464 HydrophobicContact CD1-CB 4.28Å; I261-K464 HydrophobicContact CD1-CD 3.94Å; I261-K464 HydrophobicContact CD1-CG 4.01Å; I261-P484 HydrophobicContact CG2-CB 4.12Å; I261-P484 HydrophobicContact CG2-CG 3.89Å
262	D	88.5	Confident	93.8	Very high	43 Å²	43	24.4 Å²	24.4	23%	0.23	12%	0.123	C	C	.	.	S	Bend	trans	58.7	8.6	175.6	-68.3	-34.1	0	0	0	115.6	K202 T458 K464 Y487	K202-D262 WeakPolarHBondContact CE-O 3.4Å; K202-D262 PolarHBondContact NZ-O 3.28Å; D262-T458 HydrophobicContact CB-CG2 4.13Å; D262-K464 WeakPolarHBondContact OD2-CE 3.42Å; D262-K464 IonicContact OD2-NZ 2.9Å; D262-K464 PolarHBondContact OD2-NZ 2.85Å; D262-Y487 VanDerWaalsContact C-OH 3.31Å; D262-Y487 VanDerWaalsContact CA-OH 3.27Å; D262-Y487 WeakPolarHBondContact CA-OH 3.29Å
263	Y	94.1	Very high	93.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.			trans	-67.6	147.1	168.7	51.7	-96.9	0	0	0	111.6	I252 L255 L260 I261 I453 I454 Y487 G488 L491	I252-Y263 HydrophobicContact CG1-CE2 4.45Å; L255-Y263 HydrophobicContact CB-CD1 4.43Å; L255-Y263 HydrophobicContact CB-CE1 3.79Å; L255-Y263 HydrophobicContact CD1-CD1 3.86Å; L255-Y263 HydrophobicContact CD1-CD2 3.89Å; L255-Y263 HydrophobicContact CD1-CE1 3.77Å; L255-Y263 HydrophobicContact CD1-CE2 3.81Å; L255-Y263 HydrophobicContact CD1-CG 3.92Å; L255-Y263 HydrophobicContact CG-CE1 4.31Å; L260-Y263 WeakPolarHBondContact O-CE1 3.48Å; I261-Y263 PolarHBondContact O-N 3.25Å; Y263-I453 HydrophobicContact CD2-CG2 3.95Å; Y263-I453 HydrophobicContact CG-CG2 4.27Å; Y263-I454 WeakPolarHBondContact CA-O 3.49Å; Y263-I454 WeakPolarHBondContact CB-O 3.5Å; Y263-Y487 HydrophobicContact CD1-CD1 4.48Å; Y263-Y487 HydrophobicContact CD1-CE1 4.1Å; Y263-Y487 AromaticContact CD2-CE1 3.82Å; Y263-Y487 HydrophobicContact CD2-CE1 3.82Å; Y263-Y487 AromaticContact CE1-CD1 3.88Å; Y263-Y487 HydrophobicContact CE1-CD1 3.88Å; Y263-Y487 AromaticContact CE1-CE1 3.94Å; Y263-Y487 HydrophobicContact CE1-CE1 3.94Å; Y263-Y487 AromaticContact CE2-CD1 3.92Å; Y263-Y487 HydrophobicContact CE2-CD1 3.92Å; Y263-Y487 AromaticContact CE2-CE1 3.64Å; Y263-Y487 HydrophobicContact CE2-CE1 3.64Å; Y263-Y487 HydrophobicContact CG-CE1 4.05Å; Y263-Y487 AromaticContact CZ-CD1 3.58Å; Y263-Y487 AromaticContact CZ-CE1 3.71Å; Y263-Y487 PolarHBondContact N-OH 2.79Å; Y263-Y487 PolarHBondContact O-OH 3.19Å; Y263-G488 VanDerWaalsContact OH-CA 3.31Å; Y263-G488 WeakPolarHBondContact OH-CA 3.45Å; Y263-L491 HydrophobicContact CD2-CD2 3.93Å; Y263-L491 HydrophobicContact CE2-CD2 3.73Å
264	S	93.4	Very high	93.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	159.9	174.9	-29.5	0	0	0	0	111	D200 L201 K202 I453 I454	D200-S264 VanDerWaalsContact CG-OG 3.25Å; D200-S264 PolarHBondContact OD1-OG 3.01Å; D200-S264 WeakPolarHBondContact OD2-CB 3.32Å; D200-S264 PolarHBondContact OD2-OG 3.12Å; L201-S264 CarbonylContact O-C 3.57Å; L201-S264 WeakPolarHBondContact O-CA 3.4Å; L201-S264 WeakPolarHBondContact O-CB 3.3Å; K202-S264 WeakPolarHBondContact CE-OG 3.22Å; S264-I453 CarbonylContact O-C 3.53Å; S264-I453 WeakPolarHBondContact O-CA 3.4Å; S264-I454 PolarHBondContact N-O 3.03Å; S264-I454 VanDerWaalsContact N-O 3.09Å; S264-I454 VanDerWaalsContact O-CG1 3.25Å; S264-I454 WeakPolarHBondContact O-CG1 3.2Å; S264-I454 PolarHBondContact O-N 3.18Å
265	L	95.6	Very high	92.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	118.2	155.2	-163.8	75.3	0	0	0	108.2	L201 L248 I267 V451 I453 L491 V495	L201-L265 HydrophobicContact CB-CB 4.4Å; L201-L265 PolarHBondContact N-O 3.14Å; L201-L265 PolarHBondContact O-N 3.25Å; L248-L265 HydrophobicContact CD1-CD1 4.17Å; L265-I267 HydrophobicContact CD2-CD1 4.27Å; L265-I267 HydrophobicContact CD2-CG1 4.34Å; L265-I267 HydrophobicContact CG-CG1 4.48Å; L265-V451 HydrophobicContact CD1-CG1 3.81Å; L265-V451 HydrophobicContact CD2-CG1 3.8Å; L265-V451 HydrophobicContact CG-CG1 3.89Å; L265-I453 HydrophobicContact CD1-CG1 3.84Å; L265-L491 HydrophobicContact CB-CD1 4.33Å; L265-V495 HydrophobicContact CD2-CB 4.48Å; L265-V495 HydrophobicContact CD2-CG1 3.99Å; L265-V495 HydrophobicContact CD2-CG2 3.58Å
266	L	95.2	Very high	92.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	127.3	171.6	-177.1	61.7	0	0	0	108.7	V188 F189 K198 Y199 A329 V451 A452 I454	V188-L266 HydrophobicContact CB-CD2 4.23Å; V188-L266 HydrophobicContact CG1-CD2 4.22Å; V188-L266 HydrophobicContact CG2-CD2 4.29Å; F189-L266 HydrophobicContact CE1-CD2 4.06Å; F189-L266 HydrophobicContact CE1-CG 4.11Å; F189-L266 HydrophobicContact CE2-CD2 4.39Å; F189-L266 HydrophobicContact CZ-CD1 4.07Å; F189-L266 HydrophobicContact CZ-CD2 3.68Å; F189-L266 HydrophobicContact CZ-CG 3.86Å; K198-L266 HydrophobicContact CG-CD1 4.23Å; Y199-L266 WeakPolarHBondContact O-CA 3.28Å; L266-A329 HydrophobicContact CD2-CB 4.38Å; L266-V451 WeakPolarHBondContact O-CA 3.34Å; L266-A452 PolarHBondContact N-O 3.28Å; L266-A452 PolarHBondContact O-N 3.46Å; L266-I454 HydrophobicContact CB-CD1 3.79Å; L266-I454 HydrophobicContact CB-CG1 3.96Å; L266-I454 HydrophobicContact CB-CG2 3.87Å; L266-I454 HydrophobicContact CD1-CD1 4.42Å; L266-I454 HydrophobicContact CD2-CG2 4.12Å; L266-I454 HydrophobicContact CG-CD1 4.48Å
267	I	94.6	Very high	91.9	Very high	1 Å²	1	34 Å²	34	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.1	172.8	-55.3	-171.6	0	0	0	108.8	K198 Y199 L201 F227 M234 L265 V269 F450	K198-I267 CarbonylContact C-O 3.59Å; K198-I267 VanDerWaalsContact CA-O 3.28Å; K198-I267 WeakPolarHBondContact CA-O 3.29Å; Y199-I267 HydrophobicContact CD2-CB 4.33Å; Y199-I267 HydrophobicContact CD2-CG2 4.41Å; Y199-I267 PolarHBondContact N-O 2.77Å; Y199-I267 PolarHBondContact O-N 2.84Å; L201-I267 HydrophobicContact CD1-CD1 3.47Å; L201-I267 VanDerWaalsContact CD1-CD1 3.47Å; L201-I267 HydrophobicContact CD1-CG1 4.1Å; F227-I267 HydrophobicContact CE2-CD1 4.29Å; M234-I267 HydrophobicContact CE-CD1 4.2Å; M234-I267 HydrophobicContact CE-CG2 4.24Å; M234-I267 HydrophobicContact SD-CD1 3.64Å; L265-I267 HydrophobicContact CD2-CD1 4.27Å; L265-I267 HydrophobicContact CD2-CG1 4.34Å; L265-I267 HydrophobicContact CG-CG1 4.48Å; I267-V269 HydrophobicContact CG2-CG2 4.36Å; I267-F450 CarbonylContact C-O 3.58Å; I267-F450 WeakPolarHBondContact CA-O 3.31Å
268	G	94.3	Very high	91.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	139.2	164.6	0	0	0	0	0	110.1	K197 Y449 F450	K197-G268 CarbonylContact O-C 3.55Å; K197-G268 WeakPolarHBondContact O-CA 3.43Å; G268-Y449 CarbonylContact O-C 3.41Å; G268-Y449 WeakPolarHBondContact O-CA 3.21Å; G268-F450 PolarHBondContact N-O 3.01Å; G268-F450 PolarHBondContact O-N 3.27Å
269	V	93.9	Very high	90.7	Very high	8 Å²	8	32.3 Å²	32.3	5%	0.048	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	119	175.5	-169.5	0	0	0	0	108.8	H196 K197 Y199 I267 L447 Y449	H196-V269 PolarHBondContact N-O 3.03Å; K197-V269 HydrophobicContact CB-CB 4.05Å; K197-V269 HydrophobicContact CB-CG2 4.08Å; K197-V269 PolarHBondContact N-O 2.75Å; K197-V269 PolarHBondContact O-N 2.96Å; Y199-V269 HydrophobicContact CE2-CG2 4.04Å; I267-V269 HydrophobicContact CG2-CG2 4.36Å; V269-L447 HydrophobicContact CG1-CB 4.42Å; V269-L447 HydrophobicContact CG1-CD1 4.11Å; V269-L447 HydrophobicContact CG1-CD2 4.23Å; V269-Y449 HydrophobicContact CG1-CD1 4.32Å; V269-Y449 HydrophobicContact CG1-CE1 4.28Å; V269-Y449 HydrophobicContact CG2-CD1 4.19Å; V269-Y449 HydrophobicContact CG2-CE1 4.49Å
270	H	93	Very high	90.2	Very high	6 Å²	6	34.6 Å²	34.6	3%	0.028	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	139.4	164.2	171.2	75.8	0	0	0	109.4	L193 A194 H196 I448 F450	L193-H270 HydrophobicContact CB-CB 4.36Å; A194-H270 WeakPolarHBondContact O-CB 3.44Å; A194-H270 PolarHBondContact O-ND1 2.82Å; H196-H270 AromaticContact CE1-ND1 3.78Å; H270-I448 HydrophobicContact CB-CB 4.17Å; H270-I448 PolarHBondContact N-O 3.18Å; H270-I448 PolarHBondContact O-N 3.02Å; H270-F450 HydrophobicContact CB-CE2 4.25Å
271	D	92	Very high	89.5	Confident	32 Å²	32	41.1 Å²	41.1	17%	0.171	23%	0.231	C	C	.	.			trans	-123.7	107.3	-179.6	-175.8	-43.8	0	0	0	107.2	H196 E273 I274 A275 L447	H196-D271 PolarHBondContact CE1-O 3.44Å; H196-D271 VanDerWaalsContact ND1-CB 3.31Å; H196-D271 WeakPolarHBondContact ND1-CB 3.19Å; H196-D271 PolarHBondContact ND1-N 3.26Å; H196-D271 PolarHBondContact ND1-O 3.08Å; D271-E273 VanDerWaalsContact C-N 3.26Å; D271-E273 PolarHBondContact O-N 3.47Å; D271-E273 WeakPolarHBondContact OD1-CB 3.13Å; D271-E273 PolarHBondContact OD1-N 3.46Å; D271-I274 HydrophobicContact CB-CB 4.15Å; D271-I274 HydrophobicContact CB-CD1 3.97Å; D271-I274 HydrophobicContact CB-CG1 4.14Å; D271-I274 PolarHBondContact OD1-N 2.84Å; D271-I274 VanDerWaalsContact OD1-N 3.08Å; D271-I274 WeakPolarHBondContact OD2-CD1 3.2Å; D271-A275 WeakPolarHBondContact O-CB 3.46Å; D271-A275 PolarHBondContact O-N 2.92Å; D271-A275 VanDerWaalsContact O-N 3.09Å; D271-L447 HydrophobicContact CB-CD2 3.82Å
272	P	90	Very high	88.4	Confident	38 Å²	38	45.5 Å²	45.5	25%	0.247	25%	0.254	C	S	.	.	H	α-helix	trans	-63.1	-28.7	-177.9	-23.1	34.6	0	0	0	113.8	L276 P446	P272-L276 VanDerWaalsContact O-CB 3.27Å; P272-L276 WeakPolarHBondContact O-CB 3.4Å; P272-L276 PolarHBondContact O-N 2.92Å; P272-P446 WeakPolarHBondContact CD-O 3.23Å
273	E	89.1	Confident	87.4	Confident	110 Å²	110	47.1 Å²	47.1	51%	0.514	27%	0.273	S	S	.	.	H	α-helix	trans	-72.8	-45.8	-178.5	-61.9	-177.3	-176.3	0	0	110.2	D271 L276 A277	D271-E273 VanDerWaalsContact C-N 3.26Å; D271-E273 PolarHBondContact O-N 3.47Å; D271-E273 WeakPolarHBondContact OD1-CB 3.13Å; D271-E273 PolarHBondContact OD1-N 3.46Å; E273-L276 PolarHBondContact O-N 3.01Å; E273-A277 PolarHBondContact O-N 2.77Å
274	I	89.3	Confident	85.6	Confident	80 Å²	80	49.8 Å²	49.8	41%	0.41	30%	0.301	S	S	.	.	H	α-helix	trans	-62.5	-45.1	174.7	-62.9	176.5	0	0	0	110.7	D271 L276 A277 S278	D271-I274 HydrophobicContact CB-CB 4.15Å; D271-I274 HydrophobicContact CB-CD1 3.97Å; D271-I274 HydrophobicContact CB-CG1 4.14Å; D271-I274 PolarHBondContact OD1-N 2.84Å; D271-I274 VanDerWaalsContact OD1-N 3.08Å; D271-I274 WeakPolarHBondContact OD2-CD1 3.2Å; I274-L276 VanDerWaalsContact C-N 3.34Å; I274-L276 PolarHBondContact O-N 2.81Å; I274-A277 PolarHBondContact O-N 3.06Å; I274-S278 PolarHBondContact O-N 2.85Å; I274-S278 PolarHBondContact O-OG 3.05Å
275	A	88	Confident	83.8	Confident	21 Å²	21	57 Å²	57	17%	0.174	34%	0.339	C	S	.	.	H	α-helix	trans	-63	-39	178.8	0	0	0	0	0	112.7	D271 S279	D271-A275 WeakPolarHBondContact O-CB 3.46Å; D271-A275 PolarHBondContact O-N 2.92Å; D271-A275 VanDerWaalsContact O-N 3.09Å; A275-S279 WeakPolarHBondContact O-CB 3.25Å; A275-S279 PolarHBondContact O-N 3.25Å; A275-S279 VanDerWaalsContact O-N 3.09Å; A275-S279 PolarHBondContact O-OG 2.87Å
276	L	87.6	Confident	81.8	Confident	108 Å²	108	63.3 Å²	63.3	57%	0.565	37%	0.373	S	S	*	.	H	α-helix	trans	-66.8	-42.7	176	-179.4	60.8	0	0	0	111.5	P272 E273 I274 S279 L280	P272-L276 VanDerWaalsContact O-CB 3.27Å; P272-L276 WeakPolarHBondContact O-CB 3.4Å; P272-L276 PolarHBondContact O-N 2.92Å; E273-L276 PolarHBondContact O-N 3.01Å; I274-L276 VanDerWaalsContact C-N 3.34Å; I274-L276 PolarHBondContact O-N 2.81Å; L276-S279 PolarHBondContact O-N 3.49Å; L276-L280 HydrophobicContact CD1-CD1 4.49Å; L276-L280 HydrophobicContact CG-CD1 4.33Å; L276-L280 WeakPolarHBondContact O-CG 3.45Å; L276-L280 PolarHBondContact O-N 2.71Å
277	A	88.1	Confident	79.4	Confident	48 Å²	48	66.1 Å²	66.1	40%	0.397	40%	0.402	S	S	.	.	H	α-helix	trans	-59.4	-49.9	176.6	0	0	0	0	0	111.7	E273 I274 S279 L280 E281	E273-A277 PolarHBondContact O-N 2.77Å; I274-A277 PolarHBondContact O-N 3.06Å; A277-S279 VanDerWaalsContact C-N 3.29Å; A277-S279 PolarHBondContact O-N 3.41Å; A277-L280 PolarHBondContact O-N 2.88Å; A277-L280 VanDerWaalsContact O-N 3.08Å; A277-E281 PolarHBondContact O-N 2.83Å; A277-E281 VanDerWaalsContact O-N 3.13Å
278	S	82.2	Confident	76.8	Confident	39 Å²	39	74.5 Å²	74.5	27%	0.273	44%	0.441	S	S	.	.	H	α-helix	trans	-58.6	-40.3	176.3	-56	0	0	0	0	112.5	I274 L280 E281 D282	I274-S278 PolarHBondContact O-N 2.85Å; I274-S278 PolarHBondContact O-OG 3.05Å; S278-L280 PolarHBondContact O-N 2.89Å; S278-E281 PolarHBondContact O-N 3.47Å; S278-D282 PolarHBondContact O-N 2.9Å; S278-D282 VanDerWaalsContact O-N 3.12Å
279	S	78.4	Confident	74.1	Confident	75 Å²	75	78.5 Å²	78.5	52%	0.524	48%	0.482	S	S	.	.	H	α-helix	trans	-64.9	-24.2	178.6	-57.1	0	0	0	0	113.8	A275 L276 A277	A275-S279 WeakPolarHBondContact O-CB 3.25Å; A275-S279 PolarHBondContact O-N 3.25Å; A275-S279 VanDerWaalsContact O-N 3.09Å; A275-S279 PolarHBondContact O-OG 2.87Å; L276-S279 PolarHBondContact O-N 3.49Å; A277-S279 VanDerWaalsContact C-N 3.29Å; A277-S279 PolarHBondContact O-N 3.41Å
280	L	82	Confident	71.7	Confident	116 Å²	116	83.8 Å²	83.8	61%	0.607	52%	0.515	S	S	*	.	H	α-helix	trans	-86	-34.6	177	-69.4	168.6	0	0	0	112.1	L276 A277 S278 A283 G284	L276-L280 HydrophobicContact CD1-CD1 4.49Å; L276-L280 HydrophobicContact CG-CD1 4.33Å; L276-L280 WeakPolarHBondContact O-CG 3.45Å; L276-L280 PolarHBondContact O-N 2.71Å; A277-L280 PolarHBondContact O-N 2.88Å; A277-L280 VanDerWaalsContact O-N 3.08Å; S278-L280 PolarHBondContact O-N 2.89Å; L280-A283 PolarHBondContact O-N 3.43Å; L280-G284 PolarHBondContact O-N 3.16Å
281	E	78.3	Confident	69	Low	138 Å²	138	87.2 Å²	87.2	65%	0.645	55%	0.552	S	S	*	*	H	α-helix	trans	-64.8	-49.3	175.1	-70.2	178.1	177.8	0	0	111.2	A277 S278 A283 G284	A277-E281 PolarHBondContact O-N 2.83Å; A277-E281 VanDerWaalsContact O-N 3.13Å; S278-E281 PolarHBondContact O-N 3.47Å; E281-A283 PolarHBondContact O-N 2.96Å; E281-A283 VanDerWaalsContact O-N 3.14Å; E281-G284 PolarHBondContact O-N 3.4Å
282	D	69.3	Low	66.4	Low	93 Å²	93	89.3 Å²	89.3	50%	0.497	58%	0.581	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.6	-17.9	-179.6	-65.9	-34.5	0	0	0	112.8	S278 R325	S278-D282 PolarHBondContact O-N 2.9Å; S278-D282 VanDerWaalsContact O-N 3.12Å; D282-R325 IonicContact OD1-NH1 2.71Å; D282-R325 PolarHBondContact OD1-NH1 2.71Å; D282-R325 IonicContact OD2-NH1 3.08Å; D282-R325 PolarHBondContact OD2-NH1 2.94Å
283	A	66.6	Low	63.8	Low	76 Å²	76	92.4 Å²	92.4	63%	0.628	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-11.9	174.7	0	0	0	0	0	114.1	L280 E281	L280-A283 PolarHBondContact O-N 3.43Å; E281-A283 PolarHBondContact O-N 2.96Å; E281-A283 VanDerWaalsContact O-N 3.14Å
284	G	56.7	Low	61.5	Low	56 Å²	56	92.9 Å²	92.9	58%	0.577	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-23.4	-175.1	0	0	0	0	0	115.5	L280 E281 D286	L280-G284 PolarHBondContact O-N 3.16Å; E281-G284 PolarHBondContact O-N 3.4Å; G284-D286 PolarHBondContact O-N 3.15Å
285	D	55.8	Low	59.2	Low	151 Å²	151	96 Å²	96	81%	0.807	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-14.4	-169.7	-159.3	41.1	0	0	0	114.2	G287	D285-G287 PolarHBondContact O-N 2.96Å; D285-G287 VanDerWaalsContact O-N 3.1Å
286	D	54.3	Low	56.7	Low	133 Å²	133	98.7 Å²	98.7	71%	0.711	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.1	12.1	179.6	-90.7	-10.6	0	0	0	113.3	G284 R320	G284-D286 PolarHBondContact O-N 3.15Å; D286-R320 IonicContact OD1-NH2 2.74Å; D286-R320 IonicContact OD2-NH2 3.25Å; D286-R320 PolarHBondContact OD2-NH2 3Å
287	G	43.5	Very low	54.2	Low	60 Å²	60	96.6 Å²	96.6	62%	0.619	68%	0.683	S	S	*	*			trans	-125.8	-25.6	-152.6	0	0	0	0	0	122.7	D285	D285-G287 PolarHBondContact O-N 2.96Å; D285-G287 VanDerWaalsContact O-N 3.1Å
288	E	40.9	Very low	51.7	Low	176 Å²	176	100.2 Å²	100.2	82%	0.822	70%	0.704	S	S	*	*			trans	-119.4	64.8	-168.2	-76.9	-156.6	117.8	0	0	116.5	T290	E288-T290 VanDerWaalsContact C-N 3.3Å; E288-T290 PolarHBondContact O-N 3.18Å
289	G	37.1	Very low	49.4	Very low	84 Å²	84	105.3 Å²	105.3	87%	0.866	73%	0.733	S	S	*	*			trans	-73.6	76.4	160.8	0	0	0	0	0	112.5	G291	G289-G291 PolarHBondContact O-N 3.04Å
290	T	43.2	Very low	47.4	Very low	119 Å²	119	105.6 Å²	105.6	73%	0.73	75%	0.747	S	S	*	*			trans	-69.8	84.2	-177.1	39.6	0	0	0	0	113.5	E288 G292	E288-T290 VanDerWaalsContact C-N 3.3Å; E288-T290 PolarHBondContact O-N 3.18Å; T290-G292 VanDerWaalsContact C-N 3.28Å; T290-G292 PolarHBondContact O-N 3.07Å
291	G	35.8	Very low	45.1	Very low	79 Å²	79	105.2 Å²	105.2	81%	0.814	76%	0.761	S	S	*	*			trans	-69.1	75.4	171.4	0	0	0	0	0	113.3	G289 A293	G289-G291 PolarHBondContact O-N 3.04Å; G291-A293 PolarHBondContact O-N 3.37Å
292	G	38	Very low	43	Very low	75 Å²	75	102.4 Å²	102.4	77%	0.773	77%	0.769	S	S	*	*			trans	-63.4	113.3	177.2	0	0	0	0	0	112.6	T290	T290-G292 VanDerWaalsContact C-N 3.28Å; T290-G292 PolarHBondContact O-N 3.07Å
293	A	36.1	Very low	41.4	Very low	103 Å²	103	105.4 Å²	105.4	85%	0.851	79%	0.79	S	S	*	*			trans	-69.1	130	178.8	0	0	0	0	0	112.2	G291	G291-A293 PolarHBondContact O-N 3.37Å
294	S	39.5	Very low	39.9	Very low	121 Å²	121	105.5 Å²	105.5	85%	0.846	80%	0.798	S	S	*	*			trans	-136.3	142.6	162.4	-171.9	0	0	0	0	109.8
295	V	40.9	Very low	38.8	Very low	144 Å²	144	106.8 Å²	106.8	87%	0.873	81%	0.812	S	S	*	*			trans	-110.6	132.6	-160.5	177	0	0	0	0	111.4
296	G	37.1	Very low	37.7	Very low	78 Å²	78	103.6 Å²	103.6	80%	0.804	81%	0.814	S	S	*	*			trans	114.5	133.6	170.3	0	0	0	0	0	113.1
297	G	34.1	Very low	36.6	Very low	65 Å²	65	101.5 Å²	101.5	67%	0.67	83%	0.825	S	S	*	*			cis	161.4	137.1	-6	0	0	0	0	0	110.4
298	C	35.6	Very low	36.1	Very low	124 Å²	124	102.6 Å²	102.6	84%	0.838	84%	0.836	S	S	*	*			trans	51.3	149.9	168.2	68.6	0	0	0	0	118.1
299	V	35.1	Very low	35.8	Very low	146 Å²	146	98 Å²	98	89%	0.885	84%	0.836	S	S	*	*			cis	-161.3	157.1	-4.3	-109.2	0	0	0	0	106.8
300	G	34.8	Very low	35.5	Very low	80 Å²	80	99.9 Å²	99.9	83%	0.825	84%	0.836	S	S	*	*			trans	149.7	106.7	162.6	0	0	0	0	0	114.9
301	A	34.7	Very low	35.3	Very low	109 Å²	109	102.1 Å²	102.1	90%	0.901	84%	0.843	S	S	*	*			trans	-90	150.6	178.1	0	0	0	0	0	112.6
302	G	34.7	Very low	35.1	Very low	78 Å²	78	104.5 Å²	104.5	80%	0.804	85%	0.847	S	S	*	*			trans	-162.1	118.3	170.4	0	0	0	0	0	110.8
303	V	35.2	Very low	34.8	Very low	156 Å²	156	104 Å²	104	95%	0.945	84%	0.842	S	S	*	*			trans	-109.4	140.6	-170.9	171.4	0	0	0	0	111.4
304	G	35.5	Very low	34.8	Very low	78 Å²	78	105.8 Å²	105.8	80%	0.804	84%	0.842	S	S	*	*			trans	127	136.5	166.4	0	0	0	0	0	112.7
305	G	32.9	Very low	34.3	Very low	83 Å²	83	107.8 Å²	107.8	86%	0.856	84%	0.843	S	S	*	*			cis	147.5	123	-3.7	0	0	0	0	0	111.3
306	G	33.1	Very low	33.8	Very low	84 Å²	84	109.4 Å²	109.4	87%	0.866	84%	0.841	S	S	*	*			trans	119.6	104.4	161.7	0	0	0	0	0	118
307	G	31.3	Very low	33.6	Very low	90 Å²	90	111.4 Å²	111.4	93%	0.928	84%	0.84	S	S	*	*				84.7	122	127	0	0	0	0	0	120.2
308	G	33	Very low	33.3	Very low	82 Å²	82	115.9 Å²	115.9	85%	0.845	85%	0.848	S	S	*	*			trans	159.4	98.7	155.3	0	0	0	0	0	117.5
309	G	34.3	Very low	33	Very low	81 Å²	81	115.6 Å²	115.6	84%	0.835	85%	0.847	S	S	*	*			trans	73.6	88.7	140.1	0	0	0	0	0	119.8
310	S	30.9	Very low	32.8	Very low	123 Å²	123	117.9 Å²	117.9	86%	0.86	84%	0.84	S	S	*	*			trans	-69.3	129.1	161.3	-48.5	0	0	0	0	111.6
311	N	38	Very low	32.4	Very low	166 Å²	166	117.5 Å²	117.5	89%	0.888	84%	0.836	S	S	*	*			trans	-149.2	114.5	157.2	-115.6	-11.2	0	0	0	109.5	G313	N311-G313 PolarHBondContact O-N 2.84Å
312	S	32.6	Very low	32.2	Very low	128 Å²	128	118.1 Å²	118.1	90%	0.895	82%	0.819	S	S	*	*			trans	-72.5	92.6	178.8	-61.4	0	0	0	0	111
313	G	32.3	Very low	32.3	Very low	65 Å²	65	118.2 Å²	118.2	67%	0.67	80%	0.801	S	S	*	*			trans	-75.5	117.5	160.9	0	0	0	0	0	109.5	N311 L315	N311-G313 PolarHBondContact O-N 2.84Å; G313-L315 PolarHBondContact O-N 2.81Å
314	V	34.4	Very low	32.4	Very low	140 Å²	140	118 Å²	118	85%	0.848	80%	0.795	S	S	*	*			trans	-65.8	116.1	169.2	174.8	0	0	0	0	107.5	E316	V314-E316 PolarHBondContact O-N 2.88Å
315	L	30.4	Very low	32.6	Very low	164 Å²	164	121.4 Å²	121.4	86%	0.859	78%	0.783	S	S	*	*			trans	-71.6	114.7	173.3	-69	166.2	0	0	0	108.4	G313	G313-L315 PolarHBondContact O-N 2.81Å
316	E	30	Very low	33.2	Very low	177 Å²	177	120.4 Å²	120.4	83%	0.827	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-66.7	138.4	164.2	-65.9	-167.5	117.5	0	0	108.8	V314 N318	V314-E316 PolarHBondContact O-N 2.88Å; E316-N318 PolarHBondContact O-N 3.23Å
317	P	32.6	Very low	34.1	Very low	121 Å²	121	117.2 Å²	117.2	79%	0.786	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-66.3	129.2	173.8	28.1	-32.4	0	0	0	109.1	S319	P317-S319 PolarHBondContact O-N 2.93Å
318	N	28.8	Very low	34.5	Very low	159 Å²	159	113.1 Å²	113.1	85%	0.85	68%	0.678	S	S	*	*	P	Polyproline II helix	trans	-49.8	124.4	172.2	-93.3	-15.1	0	0	0	109.7	E316 R320	E316-N318 PolarHBondContact O-N 3.23Å; N318-R320 PolarHBondContact O-N 2.96Å
319	S	28.7	Very low	34.8	Very low	117 Å²	117	109.4 Å²	109.4	82%	0.818	64%	0.639	S	S	*	*			trans	-60.9	100.4	166.9	52.4	0	0	0	0	108.9	P317	P317-S319 PolarHBondContact O-N 2.93Å
320	R	30.2	Very low	34.9	Very low	194 Å²	194	105.5 Å²	105.5	73%	0.732	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-55.9	141.5	166	-80.4	178.8	157.9	-174.4	-16.4	108.4	D286 N318	D286-R320 IonicContact OD1-NH2 2.74Å; D286-R320 IonicContact OD2-NH2 3.25Å; D286-R320 PolarHBondContact OD2-NH2 3Å; N318-R320 PolarHBondContact O-N 2.96Å
321	G	26.8	Very low	35.5	Very low	72 Å²	72	100 Å²	100	74%	0.742	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-57.2	143.1	-159.9	0	0	0	0	0	113.9	D323	G321-D323 PolarHBondContact O-N 2.94Å
322	F	31	Very low	35.3	Very low	122 Å²	122	92.2 Å²	92.2	54%	0.535	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-66.8	118.1	163.9	-169.2	-94.3	0	0	0	107.6	L111 D324	L111-F322 HydrophobicContact CD1-CD2 4.21Å; L111-F322 HydrophobicContact CD1-CE1 4.03Å; L111-F322 HydrophobicContact CD1-CE2 3.46Å; L111-F322 VanDerWaalsContact CD1-CE2 3.46Å; L111-F322 HydrophobicContact CD1-CZ 3.35Å; F322-D324 PolarHBondContact O-N 2.74Å
323	D	35.8	Very low	35.4	Very low	81 Å²	81	86.4 Å²	86.4	43%	0.433	48%	0.478	S	S	.	.			trans	-70.9	102.8	-175.9	-155.8	-22.5	0	0	0	110.3	G321 R325 M326	G321-D323 PolarHBondContact O-N 2.94Å; D323-R325 PolarHBondContact O-N 3.33Å; D323-R325 WeakPolarHBondContact OD1-CB 3.43Å; D323-M326 PolarHBondContact O-N 2.98Å
324	D	38.8	Very low	35.3	Very low	152 Å²	152	84.8 Å²	84.8	81%	0.813	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	2.8	-173.7	-128.4	9.6	0	0	0	112.4	F322	F322-D324 PolarHBondContact O-N 2.74Å
325	R	39.6	Very low	35.1	Very low	148 Å²	148	80.8 Å²	80.8	56%	0.558	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-13.4	-179.2	-65.3	171.3	168.5	161.3	-5.8	114.2	D282 D323	D282-R325 IonicContact OD1-NH1 2.71Å; D282-R325 PolarHBondContact OD1-NH1 2.71Å; D282-R325 IonicContact OD2-NH1 3.08Å; D282-R325 PolarHBondContact OD2-NH1 2.94Å; D323-R325 PolarHBondContact O-N 3.33Å; D323-R325 WeakPolarHBondContact OD1-CB 3.43Å
326	M	45.7	Very low	34.9	Very low	62 Å²	62	79.3 Å²	79.3	31%	0.305	43%	0.431	S	S	.	.			trans	-95.3	136.7	178.7	-76.3	-169.5	165.6	0	0	112.7	R129 R192 A194 D323	R129-M326 PolarHBondContact NH1-O 3.13Å; R129-M326 PolarHBondContact NH2-O 3.08Å; R192-M326 WeakPolarHBondContact O-CE 3.2Å; A194-M326 HydrophobicContact CB-CE 4.22Å; A194-M326 HydrophobicContact CB-CG 4.35Å; D323-M326 PolarHBondContact O-N 2.98Å
327	V	51.5	Low	34.8	Very low	18 Å²	18	75.4 Å²	75.4	11%	0.109	42%	0.424	C	S	.	.			trans	-118.5	155.3	-157.5	164.2	0	0	0	0	110.9	F189 I195 L219 D331	F189-V327 HydrophobicContact CD2-CG1 3.88Å; F189-V327 HydrophobicContact CE2-CG1 3.79Å; I195-V327 HydrophobicContact CB-CB 4.36Å; I195-V327 HydrophobicContact CB-CG1 4.44Å; L219-V327 HydrophobicContact CB-CG2 4.45Å; L219-V327 HydrophobicContact CD2-CB 4.01Å; L219-V327 HydrophobicContact CD2-CG1 3.55Å; L219-V327 HydrophobicContact CD2-CG2 3.58Å; V327-D331 HydrophobicContact CG1-CB 3.8Å; V327-D331 WeakPolarHBondContact CG1-OD2 3.46Å
328	S	39.8	Very low	34.5	Very low	3 Å²	3	74.2 Å²	74.2	2%	0.021	42%	0.418	C	S	.	.			trans	-130.5	161.6	-178.3	-166	0	0	0	0	112.1	V125 V132 N187 G330 D331	V125-S328 WeakPolarHBondContact CG1-OG 3.42Å; V125-S328 WeakPolarHBondContact CG2-OG 3.29Å; V132-S328 WeakPolarHBondContact CG2-OG 3.33Å; N187-S328 PolarHBondContact ND2-OG 3.01Å; N187-S328 VanDerWaalsContact ND2-OG 3.12Å; N187-S328 PolarHBondContact OD1-OG 2.74Å; S328-G330 PolarHBondContact O-N 2.83Å; S328-D331 PolarHBondContact N-OD2 2.85Å; S328-D331 WeakPolarHBondContact O-CB 3.38Å; S328-D331 PolarHBondContact O-N 3.43Å
329	A	39.4	Very low	34.3	Very low	4 Å²	4	74.4 Å²	74.4	3%	0.033	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-61.3	-13.5	-175.9	0	0	0	0	0	115.2	V132 N187 V188 L266 D331 L333	V132-A329 HydrophobicContact CG2-CB 4.26Å; N187-A329 VanDerWaalsContact OD1-CB 3.31Å; N187-A329 WeakPolarHBondContact OD1-CB 3.47Å; N187-A329 PolarHBondContact OD1-N 3.02Å; V188-A329 HydrophobicContact CB-CB 3.76Å; V188-A329 HydrophobicContact CG2-CB 3.73Å; L266-A329 HydrophobicContact CD2-CB 4.38Å; A329-D331 PolarHBondContact O-N 2.93Å; A329-L333 VanDerWaalsContact O-CD1 3.3Å; A329-L333 WeakPolarHBondContact O-CD1 3.49Å
330	G	36.6	Very low	34.1	Very low	0 Å²	0	78.7 Å²	78.7	0%	0	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-57.9	-26.7	167.1	0	0	0	0	0	113.6	D113 R116 F123 S328 G332	D113-G330 VanDerWaalsContact OD2-CA 3.27Å; D113-G330 WeakPolarHBondContact OD2-CA 3.47Å; R116-G330 PolarHBondContact NE-O 3.09Å; F123-G330 VanDerWaalsContact CG-CA 3.44Å; S328-G330 PolarHBondContact O-N 2.83Å; G330-G332 PolarHBondContact O-N 3.08Å
331	D	43.3	Very low	33.9	Very low	7 Å²	7	77 Å²	77	4%	0.037	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-67	-6.1	-173.6	-81.2	-68.5	0	0	0	115.2	D113 T115 K198 T221 V327 S328 A329	D113-D331 PolarHBondContact OD2-N 2.82Å; D113-D331 VanDerWaalsContact OD2-N 3.13Å; T115-D331 VanDerWaalsContact CB-OD1 3.31Å; T115-D331 WeakPolarHBondContact CB-OD1 3.37Å; T115-D331 WeakPolarHBondContact CG2-OD1 3.41Å; T115-D331 PolarHBondContact OG1-OD1 3.04Å; K198-D331 HydrophobicContact CD-CB 3.92Å; K198-D331 PolarHBondContact NZ-O 3.36Å; T221-D331 PolarHBondContact OG1-O 3.12Å; V327-D331 HydrophobicContact CG1-CB 3.8Å; V327-D331 WeakPolarHBondContact CG1-OD2 3.46Å; S328-D331 PolarHBondContact N-OD2 2.85Å; S328-D331 WeakPolarHBondContact O-CB 3.38Å; S328-D331 PolarHBondContact O-N 3.43Å; A329-D331 PolarHBondContact O-N 2.93Å
332	G	34.1	Very low	33.8	Very low	2 Å²	2	79.9 Å²	79.9	2%	0.021	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-24.3	-178.8	0	0	0	0	0	116.7	R116 G330 G334	R116-G332 PolarHBondContact NH2-O 3.09Å; G330-G332 PolarHBondContact O-N 3.08Å; G332-G334 VanDerWaalsContact C-N 3.31Å; G332-G334 PolarHBondContact O-N 2.94Å
333	L	34.7	Very low	33.6	Very low	7 Å²	7	77.1 Å²	77.1	4%	0.037	43%	0.426	C	S	.	.			trans	-74.4	63.5	-160.9	-63.5	165.3	0	0	0	115.9	R116 F123 A329 S335 I454 D455	R116-L333 VanDerWaalsContact CZ-C 3.4Å; R116-L333 VanDerWaalsContact NH1-C 3.31Å; R116-L333 PolarHBondContact NH1-O 2.94Å; R116-L333 PolarHBondContact NH2-O 3.14Å; F123-L333 HydrophobicContact CD1-CD1 4.01Å; F123-L333 HydrophobicContact CE1-CB 4.19Å; F123-L333 HydrophobicContact CE1-CD1 3.12Å; F123-L333 HydrophobicContact CE1-CG 4.22Å; F123-L333 HydrophobicContact CE2-CB 3.71Å; F123-L333 HydrophobicContact CE2-CD1 4.13Å; F123-L333 HydrophobicContact CE2-CG 4.49Å; F123-L333 HydrophobicContact CZ-CB 3.32Å; F123-L333 HydrophobicContact CZ-CD1 3.23Å; F123-L333 HydrophobicContact CZ-CG 3.84Å; A329-L333 VanDerWaalsContact O-CD1 3.3Å; A329-L333 WeakPolarHBondContact O-CD1 3.49Å; L333-S335 PolarHBondContact O-N 3.25Å; L333-I454 HydrophobicContact CD2-CB 3.49Å; L333-I454 VanDerWaalsContact CD2-CB 3.49Å; L333-I454 HydrophobicContact CD2-CD1 3.7Å; L333-I454 HydrophobicContact CD2-CG1 4.13Å; L333-I454 HydrophobicContact CD2-CG2 3.95Å; L333-I454 HydrophobicContact CG-CD1 4.48Å; L333-D455 WeakPolarHBondContact CA-OD2 3.41Å; L333-D455 HydrophobicContact CD2-CB 4.26Å
334	G	29.7	Very low	33	Very low	31 Å²	31	84.9 Å²	84.9	32%	0.32	45%	0.449	S	S	.	.			trans	-86	75.3	-172	0	0	0	0	0	114.4	R116 G332 L336	R116-G334 VanDerWaalsContact NH2-N 3.17Å; G332-G334 VanDerWaalsContact C-N 3.31Å; G332-G334 PolarHBondContact O-N 2.94Å; G334-L336 PolarHBondContact O-N 3.41Å
335	S	29.6	Very low	32.5	Very low	56 Å²	56	85.6 Å²	85.6	39%	0.392	45%	0.452	S	S	.	.			trans	-60.3	109	172.8	-174.1	0	0	0	0	111.8	S119 L333 S337	S119-S335 PolarHBondContact OG-O 3.38Å; L333-S335 PolarHBondContact O-N 3.25Å; S335-S337 VanDerWaalsContact C-N 3.33Å; S335-S337 PolarHBondContact O-N 3.01Å
336	L	25.8	Very low	32	Very low	132 Å²	132	84 Å²	84	69%	0.691	46%	0.464	S	S	*	.			trans	-78.7	76.5	168	-85.3	161.7	0	0	0	109.6	G334	G334-L336 PolarHBondContact O-N 3.41Å
337	S	28.2	Very low	30.9	Very low	96 Å²	96	90.1 Å²	90.1	67%	0.671	49%	0.494	S	S	*	.			trans	-88	126.1	159.5	64.6	0	0	0	0	109.4	S335 Q339	S335-S337 VanDerWaalsContact C-N 3.33Å; S335-S337 PolarHBondContact O-N 3.01Å; S337-Q339 PolarHBondContact O-N 2.97Å
338	S	26.8	Very low	29.9	Very low	95 Å²	95	94 Å²	94	66%	0.664	53%	0.528	S	S	*	.			trans	-69	122.8	-165.6	-52.1	0	0	0	0	112.8	W340	S338-W340 VanDerWaalsContact C-N 3.32Å; S338-W340 PolarHBondContact O-N 3.31Å
339	Q	24.2	Very low	29.2	Very low	164 Å²	164	105.1 Å²	105.1	77%	0.766	57%	0.569	S	S	*	*			trans	-72.2	81.9	173	-170.9	179.9	6.9	0	0	111.1	S337 Q341	S337-Q339 PolarHBondContact O-N 2.97Å; Q339-Q341 PolarHBondContact O-N 3.26Å
340	W	24.4	Very low	28.8	Very low	206 Å²	206	111.2 Å²	111.2	78%	0.78	61%	0.612	S	S	*	*			trans	-83.5	88.2	166.9	-72.1	99.4	0	0	0	110.3	S338 C342	S338-W340 VanDerWaalsContact C-N 3.32Å; S338-W340 PolarHBondContact O-N 3.31Å; W340-C342 PolarHBondContact O-N 2.91Å
341	Q	25.7	Very low	28.4	Very low	160 Å²	160	116 Å²	116	75%	0.748	65%	0.645	S	S	*	*			trans	-72.2	107.6	157.6	-78.7	-176.8	-15.3	0	0	108.4	Q339 G343	Q339-Q341 PolarHBondContact O-N 3.26Å; Q341-G343 PolarHBondContact O-N 3.42Å
342	C	24.9	Very low	27.8	Very low	132 Å²	132	124 Å²	124	89%	0.892	69%	0.686	S	S	*	*			trans	-73	82.6	166.3	-167.6	0	0	0	0	108.9	W340 R344	W340-C342 PolarHBondContact O-N 2.91Å; C342-R344 PolarHBondContact O-N 2.96Å; C342-R344 VanDerWaalsContact O-N 3.11Å
343	G	27.6	Very low	27.5	Very low	64 Å²	64	129.8 Å²	129.8	66%	0.66	72%	0.721	S	S	*	*			trans	-64.2	106.8	173.6	0	0	0	0	0	110.3	Q341 L345	Q341-G343 PolarHBondContact O-N 3.42Å; G343-L345 PolarHBondContact O-N 3.33Å
344	R	23.1	Very low	27.5	Very low	243 Å²	243	137.9 Å²	137.9	92%	0.917	76%	0.763	S	S	*	*			trans	-68.3	96.2	175	-178.4	-169.3	-79.6	-158.6	-3.6	109.7	C342	C342-R344 PolarHBondContact O-N 2.96Å; C342-R344 VanDerWaalsContact O-N 3.11Å
345	L	28.5	Very low	27.4	Very low	167 Å²	167	139.1 Å²	139.1	87%	0.874	78%	0.776	S	S	*	*			trans	-122.1	131.7	167.3	-77.9	173.3	0	0	0	111	G343	G343-L345 PolarHBondContact O-N 3.33Å
346	S	29	Very low	27.7	Very low	114 Å²	114	144.9 Å²	144.9	80%	0.797	80%	0.801	S	S	*	*			trans	-73	138.8	-175.6	47.3	0	0	0	0	112.1	A348	S346-A348 PolarHBondContact O-N 3.39Å
347	M	23.1	Very low	28	Very low	192 Å²	192	143.2 Å²	143.2	95%	0.946	80%	0.801	S	S	*	*			trans	-62.5	129.8	168.1	-62.5	-175.8	-159.1	0	0	110.7
348	A	30.2	Very low	28.5	Very low	99 Å²	99	144.1 Å²	144.1	82%	0.818	81%	0.807	S	S	*	*			trans	-118.5	138.5	153.1	0	0	0	0	0	108.3	S346	S346-A348 PolarHBondContact O-N 3.39Å
349	R	25.3	Very low	29	Very low	237 Å²	237	144.5 Å²	144.5	89%	0.894	81%	0.81	S	S	*	*			trans	-86.2	144.6	-165.6	-55.7	154.7	86.5	174.7	7.4	110.3
350	S	29.7	Very low	29.6	Very low	131 Å²	131	141.2 Å²	141.2	92%	0.916	81%	0.811	S	S	*	*				-165.7	148.3	127.3	-84.8	0	0	0	0	111.7
351	S	28.3	Very low	30.1	Very low	101 Å²	101	135.9 Å²	135.9	71%	0.706	81%	0.811	S	S	*	*			trans	-105.1	143.7	-165.5	49.6	0	0	0	0	113
352	I	31.8	Very low	30.7	Very low	175 Å²	175	134.2 Å²	134.2	90%	0.897	81%	0.811	S	S	*	*			trans	-126.6	134.2	146.2	-71.1	-175	0	0	0	107.8
353	V	28	Very low	31	Very low	123 Å²	123	136.9 Å²	136.9	75%	0.745	81%	0.811	S	S	*	*			trans	-114.8	139.2	-175.2	169.9	0	0	0	0	108.5
354	L	34.1	Very low	31.4	Very low	178 Å²	178	138.1 Å²	138.1	93%	0.932	81%	0.814	S	S	*	*			trans	173.8	132.3	154	-92.9	171.5	0	0	0	105
355	G	27.1	Very low	32	Very low	57 Å²	57	131.1 Å²	131.1	59%	0.588	81%	0.808	S	S	*	*			cis	144.8	142.1	2.4	0	0	0	0	0	109.1
356	L	35.4	Very low	32.3	Very low	176 Å²	176	128.7 Å²	128.7	92%	0.921	81%	0.805	S	S	*	*			trans	76.9	141.6	176.6	-46.9	172.9	0	0	0	116.4
357	S	33	Very low	32.6	Very low	98 Å²	98	129.2 Å²	129.2	69%	0.685	81%	0.808	S	S	*	*			cis	171.5	143.6	-33.9	45.5	0	0	0	0	109.9
358	S	37.8	Very low	33.3	Very low	114 Å²	114	123.1 Å²	123.1	80%	0.797	79%	0.794	S	S	*	*			trans	71.5	155.2	165.5	-90.7	0	0	0	0	118.5
359	S	37.8	Very low	33.7	Very low	103 Å²	103	125.8 Å²	125.8	72%	0.72	80%	0.8	S	S	*	*			cis	-164.6	166.7	-15.6	-113.4	0	0	0	0	114.4
360	A	36.1	Very low	34.1	Very low	96 Å²	96	118.4 Å²	118.4	79%	0.793	80%	0.797	S	S	*	*			trans	51.8	112.6	150.3	0	0	0	0	0	122.8
361	A	36.6	Very low	34.5	Very low	94 Å²	94	115.5 Å²	115.5	78%	0.777	79%	0.788	S	S	*	*				176.8	109.8	103.3	0	0	0	0	0	111.6
362	V	36.4	Very low	34.8	Very low	125 Å²	125	118.1 Å²	118.1	76%	0.758	80%	0.8	S	S	*	*				85	110.8	87.3	-164.2	0	0	0	0	116.1
363	E	31.8	Very low	35	Very low	188 Å²	188	112.7 Å²	112.7	88%	0.879	79%	0.787	S	S	*	*			trans	60.8	152.9	156.3	-66.9	-178.9	118.7	0	0	121.2
364	A	36.1	Very low	35.1	Very low	89 Å²	89	114.4 Å²	114.4	74%	0.736	80%	0.797	S	S	*	*			cis	-151.7	168.2	21.4	0	0	0	0	0	115.9
365	A	36.7	Very low	35.1	Very low	96 Å²	96	109.7 Å²	109.7	79%	0.793	79%	0.792	S	S	*	*			trans	64.4	124.1	163.9	0	0	0	0	0	119.4
366	S	34.8	Very low	35.4	Very low	116 Å²	116	117.8 Å²	117.8	81%	0.811	81%	0.811	S	S	*	*			cis	74.5	127.3	48.5	-164.8	0	0	0	0	112.7
367	C	34.9	Very low	35.3	Very low	126 Å²	126	113.1 Å²	113.1	85%	0.851	81%	0.805	S	S	*	*			cis	-162.7	168.6	25.6	-156.7	0	0	0	0	113.6
368	G	36.8	Very low	35.4	Very low	64 Å²	64	115.5 Å²	115.5	66%	0.66	82%	0.816	S	S	*	*			trans	79	114	160.6	0	0	0	0	0	117.7
369	V	38.7	Very low	35.2	Very low	155 Å²	155	113.8 Å²	113.8	94%	0.939	82%	0.816	S	S	*	*			cis	98.1	117.7	30.8	-179.6	0	0	0	0	114.6
370	G	34.7	Very low	34.9	Very low	81 Å²	81	117.3 Å²	117.3	84%	0.835	83%	0.827	S	S	*	*			trans	105.5	131.6	167.2	0	0	0	0	0	115.1
371	G	36.8	Very low	34.9	Very low	70 Å²	70	117.6 Å²	117.6	72%	0.722	83%	0.83	S	S	*	*			cis	155.8	125.1	-10.9	0	0	0	0	0	112.8
372	V	35.6	Very low	34.7	Very low	157 Å²	157	118.2 Å²	118.2	95%	0.952	83%	0.828	S	S	*	*			trans	55.6	135.1	158.4	-161.9	0	0	0	0	118.3
373	G	35.1	Very low	34.6	Very low	61 Å²	61	119.1 Å²	119.1	63%	0.629	83%	0.834	S	S	*	*			cis	167.7	166.4	-3.9	0	0	0	0	0	112.4
374	V	31.9	Very low	34.7	Very low	158 Å²	158	113.4 Å²	113.4	96%	0.958	83%	0.826	S	S	*	*			trans	40.3	130.5	158.4	-77.8	0	0	0	0	123
375	G	33.8	Very low	34.6	Very low	80 Å²	80	116.5 Å²	116.5	83%	0.825	83%	0.83	S	S	*	*			trans	168.3	103.4	154.7	0	0	0	0	0	114.7
376	F	32	Very low	34.7	Very low	226 Å²	226	119.8 Å²	119.8	99%	0.991	83%	0.834	S	S	*	*			trans	-88.9	145.6	170	-89.3	-94	0	0	0	111.2
377	G	33.6	Very low	35	Very low	78 Å²	78	121.5 Å²	121.5	80%	0.804	83%	0.834	S	S	*	*			trans	-165.4	111	168	0	0	0	0	0	112.3
378	T	34.6	Very low	35.4	Very low	148 Å²	148	121.6 Å²	121.6	91%	0.908	83%	0.826	S	S	*	*			trans	-91.4	127.1	172.3	48	0	0	0	0	110.5
379	G	33.9	Very low	35.8	Very low	78 Å²	78	126.8 Å²	126.8	80%	0.804	83%	0.834	S	S	*	*			trans	-144.8	127.6	171.5	0	0	0	0	0	110.2
380	N	32.5	Very low	35.8	Very low	178 Å²	178	128.4 Å²	128.4	95%	0.952	83%	0.831	S	S	*	*			trans	-105.5	120.1	-178.7	-148.7	49.6	0	0	0	108.2
381	A	36.2	Very low	36.4	Very low	102 Å²	102	128.7 Å²	128.7	84%	0.843	81%	0.811	S	S	*	*			trans	-147.6	130.6	172.3	0	0	0	0	0	110.8
382	S	31.6	Very low	36.8	Very low	106 Å²	106	133.4 Å²	133.4	74%	0.741	82%	0.819	S	S	*	*			trans	-86	138.9	173.5	51.4	0	0	0	0	111.4
383	T	35.5	Very low	37	Very low	144 Å²	144	126.8 Å²	126.8	88%	0.883	78%	0.783	S	S	*	*				177.3	150.9	122.5	32.5	0	0	0	0	108.7
384	G	31.9	Very low	37.2	Very low	69 Å²	69	128.7 Å²	128.7	71%	0.711	78%	0.777	S	S	*	*			trans	-72.6	175.9	-169.7	0	0	0	0	0	116
385	D	35.1	Very low	37.8	Very low	154 Å²	154	124.8 Å²	124.8	82%	0.824	76%	0.757	S	S	*	*			trans	-145.5	144.6	150.6	-91.4	-44.9	0	0	0	108.6	D387	D385-D387 PolarHBondContact O-N 3.07Å
386	D	38.9	Very low	38.6	Very low	164 Å²	164	123.9 Å²	123.9	88%	0.877	73%	0.733	S	S	*	*			trans	-89	90.7	174.6	-83.9	-70.4	0	0	0	108.7	D388	D386-D388 PolarHBondContact O-N 2.87Å
387	D	40.7	Very low	38.9	Very low	152 Å²	152	118.3 Å²	118.3	81%	0.813	72%	0.719	S	S	*	*			trans	-75.9	88.3	172.6	-73.4	-47.4	0	0	0	110.9	D385 E389	D385-D387 PolarHBondContact O-N 3.07Å; D387-E389 VanDerWaalsContact C-N 3.33Å; D387-E389 PolarHBondContact O-N 2.71Å; D387-E389 VanDerWaalsContact O-N 3.07Å
388	D	43.9	Very low	39.2	Very low	128 Å²	128	121.7 Å²	121.7	68%	0.684	71%	0.714	S	S	*	*			trans	-69.3	91.3	158.4	-98.5	-49	0	0	0	107.9	D386 E390	D386-D388 PolarHBondContact O-N 2.87Å; D388-E390 PolarHBondContact O-N 2.64Å
389	E	44.8	Very low	39.1	Very low	174 Å²	174	121.4 Å²	121.4	81%	0.813	71%	0.707	S	S	*	*			trans	-56	119.7	173.2	-72.2	-173.1	162.2	0	0	111	D387 E391	D387-E389 VanDerWaalsContact C-N 3.33Å; D387-E389 PolarHBondContact O-N 2.71Å; D387-E389 VanDerWaalsContact O-N 3.07Å; E389-E391 PolarHBondContact O-N 3.27Å
390	E	38.6	Very low	38.9	Very low	188 Å²	188	125.3 Å²	125.3	88%	0.879	71%	0.71	S	S	*	*			trans	-69	87.2	174	-68.7	-168.2	146.7	0	0	110.7	D388 D392	D388-E390 PolarHBondContact O-N 2.64Å; E390-D392 PolarHBondContact O-N 2.96Å
391	E	47.7	Very low	38.7	Very low	88 Å²	88	120.7 Å²	120.7	41%	0.411	69%	0.688	S	S	.	*			trans	-73.1	110.4	162.2	-77.9	-171.9	-126.2	0	0	109.7	Y58 K80 R172 E389 G393	Y58-E391 HydrophobicContact CE1-CB 4.42Å; K80-E391 IonicContact NZ-OE1 3.83Å; K80-E391 PolarHBondContact NZ-OE1 3.02Å; K80-E391 IonicContact NZ-OE2 3.37Å; K80-E391 PolarHBondContact NZ-OE2 3Å; R172-E391 IonicContact NH2-OE1 3.78Å; R172-E391 PolarHBondContact NH2-OE1 2.83Å; E389-E391 PolarHBondContact O-N 3.27Å; E391-G393 PolarHBondContact O-N 2.92Å
392	D	44.4	Very low	38.4	Very low	168 Å²	168	124.8 Å²	124.8	90%	0.898	69%	0.69	S	S	*	*			trans	-64.5	57.6	173.1	-82.6	-40.9	0	0	0	113.8	E390	E390-D392 PolarHBondContact O-N 2.96Å
393	G	40.1	Very low	38.5	Very low	18 Å²	18	124.7 Å²	124.7	19%	0.186	68%	0.684	C	S	.	*			trans	-107.4	132.5	178.4	0	0	0	0	0	112.7	E391 S395	E391-G393 PolarHBondContact O-N 2.92Å; G393-S395 PolarHBondContact O-N 3.46Å
394	I	40.4	Very low	38.2	Very low	101 Å²	101	122.6 Å²	122.6	52%	0.518	67%	0.673	S	S	.	*			trans	-66.7	106.4	174.1	-65.7	159.8	0	0	0	108.7	D53	D53-I394 HydrophobicContact CB-CD1 3.81Å
395	S	44.5	Very low	38.3	Very low	77 Å²	77	125.8 Å²	125.8	54%	0.538	68%	0.679	S	S	.	*	B	Isolated β-bridge	trans	-71.2	132.7	169.5	54.1	0	0	0	0	109.9	G393	G393-S395 PolarHBondContact O-N 3.46Å
396	I	49	Very low	38.2	Very low	60 Å²	60	123.1 Å²	123.1	31%	0.308	67%	0.673	S	S	.	*	P	Polyproline II helix	trans	-67	124.1	168.2	-57.9	177.3	0	0	0	106.7	V44 P84 E398	V44-I396 HydrophobicContact CG2-CG2 4.49Å; P84-I396 HydrophobicContact CG-CD1 3.91Å; I396-E398 PolarHBondContact O-N 3.1Å
397	P	39.6	Very low	37.9	Very low	109 Å²	109	123.8 Å²	123.8	71%	0.708	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-63.7	129.6	-169.8	22.7	-33.5	0	0	0	112.1	N399	P397-N399 PolarHBondContact O-N 3.23Å
398	E	39.8	Very low	37.4	Very low	149 Å²	149	124.7 Å²	124.7	70%	0.696	67%	0.674	S	S	*	*			trans	-66.2	99.1	171.5	-66.8	-170.1	139.7	0	0	109.5	I396 N400	I396-E398 PolarHBondContact O-N 3.1Å; E398-N400 PolarHBondContact O-N 3.29Å
399	N	32.7	Very low	37.1	Very low	143 Å²	143	125 Å²	125	77%	0.765	68%	0.681	S	S	*	*			trans	-73.3	97.3	170.4	-162.3	21.5	0	0	0	108.4	P397 T401	P397-N399 PolarHBondContact O-N 3.23Å; N399-T401 PolarHBondContact ND2-OG1 3.16Å; N399-T401 PolarHBondContact O-N 3.13Å
400	N	28.4	Very low	36.9	Very low	160 Å²	160	121.9 Å²	121.9	86%	0.856	68%	0.676	S	S	*	*			trans	-71.8	65.7	-175.9	-166.4	15.3	0	0	0	111.6	E398	E398-N400 PolarHBondContact O-N 3.29Å
401	T	29.6	Very low	37.1	Very low	80 Å²	80	118.7 Å²	118.7	49%	0.491	67%	0.671	S	S	.	*			trans	-103.9	117.7	-176.5	-56.3	0	0	0	0	109.3	N399 V403	N399-T401 PolarHBondContact ND2-OG1 3.16Å; N399-T401 PolarHBondContact O-N 3.13Å; T401-V403 PolarHBondContact O-N 3.39Å
402	Q	29.1	Very low	36.8	Very low	189 Å²	189	122.1 Å²	122.1	88%	0.883	69%	0.692	S	S	*	*			trans	-64.3	100.9	167.2	-70.9	178.5	-7	0	0	109
403	V	34	Very low	36.8	Very low	103 Å²	103	119.3 Å²	119.3	62%	0.624	69%	0.686	S	S	*	*			trans	-72.2	126.1	179.1	-170.2	0	0	0	0	109.3	T401 T405	T401-V403 PolarHBondContact O-N 3.39Å; V403-T405 PolarHBondContact O-N 3.23Å
404	P	28	Very low	36.9	Very low	100 Å²	100	122.5 Å²	122.5	65%	0.649	70%	0.704	S	S	*	*			trans	-60.9	127.8	178.6	-23.6	34.3	0	0	0	112	S406	P404-S406 PolarHBondContact O-N 2.83Å
405	T	34.5	Very low	36.8	Very low	136 Å²	136	123.5 Å²	123.5	83%	0.834	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	32.8	-170	55.9	0	0	0	0	114.4	V403	V403-T405 PolarHBondContact O-N 3.23Å
406	S	34.4	Very low	36.1	Very low	99 Å²	99	123.5 Å²	123.5	69%	0.692	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.6	-2.2	-164.4	50.2	0	0	0	0	117	P404	P404-S406 PolarHBondContact O-N 2.83Å
407	E	32.8	Very low	35.3	Very low	178 Å²	178	125.1 Å²	125.1	83%	0.832	75%	0.751	S	S	*	*	S	Bend	trans	-125	41.2	-176.3	-68.3	-166.4	136.9	0	0	114.6
408	L	30.3	Very low	35	Very low	170 Å²	170	126.9 Å²	126.9	89%	0.89	75%	0.75	S	S	*	*			trans	-142.6	72.4	172.1	-71.2	177.5	0	0	0	112.3	P410	L408-P410 WeakPolarHBondContact O-CD 3.37Å
409	T	36.6	Very low	34.9	Very low	135 Å²	135	125.6 Å²	125.6	83%	0.828	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-72.5	120.4	157.9	38.7	0	0	0	0	109.1
410	P	40.8	Very low	34.9	Very low	108 Å²	108	124.6 Å²	124.6	70%	0.701	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-64.1	139.2	172.6	-16.6	30.6	0	0	0	109.8	L408	L408-P410 WeakPolarHBondContact O-CD 3.37Å
411	P	43.2	Very low	35.3	Very low	121 Å²	121	122.6 Å²	122.6	79%	0.786	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-61.2	151.4	163.8	28.3	-33.7	0	0	0	109.6
412	D	41.3	Very low	35.9	Very low	160 Å²	160	125.4 Å²	125.4	86%	0.856	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-54.4	143.6	175.9	-85.5	-50.6	0	0	0	110.9	P414	D412-P414 WeakPolarHBondContact O-CD 3.32Å
413	S	44.4	Very low	36.8	Very low	110 Å²	110	124.1 Å²	124.1	77%	0.769	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-63.7	121.5	178.1	-59.1	0	0	0	0	108.3
414	P	40.8	Very low	38.1	Very low	85 Å²	85	122.1 Å²	122.1	55%	0.552	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-58.5	141.2	174.3	25	-32.7	0	0	0	108.4	D412 G416	D412-P414 WeakPolarHBondContact O-CD 3.32Å; P414-G416 PolarHBondContact O-N 2.87Å
415	P	38.8	Very low	39.6	Very low	121 Å²	121	121.8 Å²	121.8	79%	0.786	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-55.4	144.8	172.3	27.2	-34.4	0	0	0	108.1	A417	P415-A417 PolarHBondContact O-N 3.41Å
416	G	30.7	Very low	41.4	Very low	77 Å²	77	116.9 Å²	116.9	79%	0.794	71%	0.711	S	S	*	*			trans	-49.8	100.5	-169.9	0	0	0	0	0	112	P414 E418	P414-G416 PolarHBondContact O-N 2.87Å; G416-E418 PolarHBondContact O-N 2.95Å
417	A	32.8	Very low	43.8	Very low	94 Å²	94	118.7 Å²	118.7	78%	0.777	71%	0.709	S	S	*	*			trans	-72.9	84.4	164.5	0	0	0	0	0	105.9	P415 C419	P415-A417 PolarHBondContact O-N 3.41Å; A417-C419 PolarHBondContact O-N 3.08Å
418	E	33.1	Very low	46.4	Very low	147 Å²	147	112 Å²	112	69%	0.687	68%	0.678	S	S	*	*			trans	-46.4	123.7	151	-65.9	-172.9	153.3	0	0	105.9	G416 L420	G416-E418 PolarHBondContact O-N 2.95Å; E418-L420 PolarHBondContact O-N 3.43Å
419	C	36	Very low	49.2	Very low	122 Å²	122	107.8 Å²	107.8	82%	0.824	65%	0.654	S	S	*	*			trans	-72.6	76	168.6	-168.1	0	0	0	0	105.9	A417	A417-C419 PolarHBondContact O-N 3.08Å
420	L	33.7	Very low	51.4	Low	121 Å²	121	106.1 Å²	106.1	63%	0.634	65%	0.646	S	S	*	*			trans	-49.1	131.7	170.4	-70.4	176.6	0	0	0	106.4	E418 Q422	E418-L420 PolarHBondContact O-N 3.43Å; L420-Q422 PolarHBondContact O-N 2.95Å
421	P	37.1	Very low	53.5	Low	118 Å²	118	103.9 Å²	103.9	77%	0.766	63%	0.63	S	S	*	*			trans	-54.2	102.6	178.3	-25.8	34.3	0	0	0	109	L423	P421-L423 PolarHBondContact O-N 3.29Å
422	Q	41.2	Very low	55.7	Low	139 Å²	139	99.9 Å²	99.9	65%	0.65	60%	0.602	S	S	*	*			trans	-65.1	103.5	175.2	-82.4	-172.2	-25.4	0	0	106.1	R192 L420 F424	R192-Q422 PolarHBondContact NH2-O 2.84Å; L420-Q422 PolarHBondContact O-N 2.95Å; Q422-F424 PolarHBondContact O-N 3.11Å; Q422-F424 VanDerWaalsContact O-N 3.15Å
423	L	49	Very low	58.1	Low	163 Å²	163	92.5 Å²	92.5	85%	0.853	56%	0.562	S	S	*	*			trans	-39.3	122.4	179.9	-122.1	87.5	0	0	0	108.6	P421 S425	P421-L423 PolarHBondContact O-N 3.29Å; L423-S425 PolarHBondContact O-N 3.16Å
424	F	61.5	Low	60.4	Low	61 Å²	61	89.4 Å²	89.4	27%	0.268	54%	0.536	S	S	.	.			trans	-60.1	113.8	-172.4	176.4	-114.3	0	0	0	109.3	L193 Q422 G426 E427 L428 I448	L193-F424 HydrophobicContact CD1-CD2 4.15Å; L193-F424 HydrophobicContact CD1-CE2 3.97Å; L193-F424 HydrophobicContact CD1-CZ 4.46Å; L193-F424 HydrophobicContact CD2-CB 4.1Å; L193-F424 HydrophobicContact CD2-CD2 3.75Å; L193-F424 HydrophobicContact CD2-CE2 4.41Å; L193-F424 HydrophobicContact CD2-CG 3.98Å; L193-F424 HydrophobicContact CG-CD2 4.49Å; Q422-F424 PolarHBondContact O-N 3.11Å; Q422-F424 VanDerWaalsContact O-N 3.15Å; F424-G426 VanDerWaalsContact CE1-CA 3.45Å; F424-G426 VanDerWaalsContact CZ-C 3.47Å; F424-G426 PolarHBondContact O-N 2.83Å; F424-E427 VanDerWaalsContact CE2-O 3.26Å; F424-E427 WeakPolarHBondContact CE2-O 3.32Å; F424-L428 HydrophobicContact CE2-CD2 4.19Å; F424-L428 HydrophobicContact CZ-CD2 4.34Å; F424-I448 HydrophobicContact CE1-CD1 3.53Å; F424-I448 HydrophobicContact CE2-CD1 4.19Å; F424-I448 HydrophobicContact CZ-CD1 3.33Å
425	S	59.5	Low	63	Low	92 Å²	92	85.6 Å²	85.6	64%	0.643	51%	0.51	S	S	*	.			trans	-75.1	14.5	-172.7	57.9	0	0	0	0	113.5	L423 E427	L423-S425 PolarHBondContact O-N 3.16Å; S425-E427 PolarHBondContact O-N 2.88Å
426	G	71.9	Confident	65.7	Low	34 Å²	34	80.7 Å²	80.7	35%	0.351	48%	0.481	S	S	.	.	S	Bend	trans	76.3	-10.2	-169.8	0	0	0	0	0	114.3	F424 K438	F424-G426 VanDerWaalsContact CE1-CA 3.45Å; F424-G426 VanDerWaalsContact CZ-C 3.47Å; F424-G426 PolarHBondContact O-N 2.83Å; G426-K438 WeakPolarHBondContact O-CE 3.22Å; G426-K438 PolarHBondContact O-NZ 2.76Å
427	E	84.1	Confident	68.8	Low	137 Å²	137	78.3 Å²	78.3	64%	0.64	45%	0.45	S	S	*	.			trans	-111.8	138.7	-176.4	-68.5	-169.7	164.6	0	0	113.2	F424 S425	F424-E427 VanDerWaalsContact CE2-O 3.26Å; F424-E427 WeakPolarHBondContact CE2-O 3.32Å; S425-E427 PolarHBondContact O-N 2.88Å
428	L	88.4	Confident	71.7	Confident	36 Å²	36	78.2 Å²	78.2	19%	0.188	43%	0.432	C	S	.	.			trans	-84.7	132.1	176.5	-68	172.4	0	0	0	110	L193 F424 P430 E433 K438 I448	L193-L428 HydrophobicContact CD1-CD2 4.16Å; F424-L428 HydrophobicContact CE2-CD2 4.19Å; F424-L428 HydrophobicContact CZ-CD2 4.34Å; L428-P430 WeakPolarHBondContact O-CD 3.45Å; L428-E433 VanDerWaalsContact CA-OE2 3.29Å; L428-E433 WeakPolarHBondContact CA-OE2 3.49Å; L428-E433 HydrophobicContact CB-CB 4.31Å; L428-E433 HydrophobicContact CD2-CB 4.14Å; L428-E433 HydrophobicContact CD2-CG 4.48Å; L428-K438 HydrophobicContact CD1-CG 3.86Å; L428-K438 HydrophobicContact CG-CG 4.35Å; L428-I448 HydrophobicContact CD1-CG2 4.35Å; L428-I448 HydrophobicContact CD2-CD1 4.2Å; L428-I448 HydrophobicContact CD2-CG2 3.95Å
429	H	87.9	Confident	74.5	Confident	82 Å²	82	72.1 Å²	72.1	38%	0.38	41%	0.406	S	S	.	.			trans	-79.5	113.2	179.2	-168.8	-84.7	0	0	0	110.3	T431 L432 E433	H429-T431 PolarHBondContact CE1-OG1 3.48Å; H429-T431 PolarHBondContact ND1-OG1 3.34Å; H429-T431 VanDerWaalsContact ND1-OG1 3.13Å; H429-T431 PolarHBondContact O-N 2.9Å; H429-L432 HydrophobicContact CB-CB 4.21Å; H429-L432 HydrophobicContact CB-CD1 4.32Å; H429-L432 PolarHBondContact O-N 3.14Å; H429-E433 PolarHBondContact N-OE2 3.41Å; H429-E433 PolarHBondContact O-N 2.73Å
430	P	84	Confident	77.2	Confident	101 Å²	101	67.7 Å²	67.7	66%	0.656	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-26.9	-163.1	22.3	-34.1	0	0	0	114.4	L428	L428-P430 WeakPolarHBondContact O-CD 3.45Å
431	T	85.1	Confident	79.7	Confident	60 Å²	60	70.1 Å²	70.1	37%	0.368	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-17.6	177.9	66.3	0	0	0	0	114.6	R186 H429	R186-T431 PolarHBondContact NH1-O 2.95Å; R186-T431 PolarHBondContact NH2-O 3.28Å; H429-T431 PolarHBondContact CE1-OG1 3.48Å; H429-T431 PolarHBondContact ND1-OG1 3.34Å; H429-T431 VanDerWaalsContact ND1-OG1 3.13Å; H429-T431 PolarHBondContact O-N 2.9Å
432	L	87.9	Confident	82.1	Confident	37 Å²	37	71.4 Å²	71.4	19%	0.194	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-29.2	179.1	-65.5	175.2	0	0	0	111.3	Q130 P191 H429	Q130-L432 HydrophobicContact CG-CD2 4Å; P191-L432 HydrophobicContact CG-CB 4.33Å; P191-L432 HydrophobicContact CG-CD2 4.4Å; H429-L432 HydrophobicContact CB-CB 4.21Å; H429-L432 HydrophobicContact CB-CD1 4.32Å; H429-L432 PolarHBondContact O-N 3.14Å
433	E	92.3	Very high	84.3	Confident	5 Å²	5	65.6 Å²	65.6	2%	0.023	36%	0.363	C	S	.	.			trans	-123.7	37.9	-169.6	-62.5	171.3	140.8	0	0	109.7	S190 L428 H429 Y435 G436 F450	S190-E433 VanDerWaalsContact CB-OE1 3.26Å; S190-E433 WeakPolarHBondContact CB-OE1 3.49Å; S190-E433 PolarHBondContact OG-OE1 2.95Å; L428-E433 VanDerWaalsContact CA-OE2 3.29Å; L428-E433 WeakPolarHBondContact CA-OE2 3.49Å; L428-E433 HydrophobicContact CB-CB 4.31Å; L428-E433 HydrophobicContact CD2-CB 4.14Å; L428-E433 HydrophobicContact CD2-CG 4.48Å; H429-E433 PolarHBondContact N-OE2 3.41Å; H429-E433 PolarHBondContact O-N 2.73Å; E433-Y435 PolarHBondContact O-N 2.95Å; E433-Y435 VanDerWaalsContact O-N 3.12Å; E433-G436 WeakPolarHBondContact O-CA 3.45Å; E433-G436 PolarHBondContact O-N 2.85Å; E433-F450 HydrophobicContact CB-CE1 4.09Å; E433-F450 HydrophobicContact CG-CE1 4.23Å
434	H	93.1	Very high	85.9	Confident	46 Å²	46	62.5 Å²	62.5	21%	0.213	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-35.6	-178.2	171.4	93.5	0	0	0	113.7	G160 T162 Q166	G160-H434 PolarHBondContact O-CE1 2.92Å; T162-H434 PolarHBondContact O-NE2 3.21Å; Q166-H434 PolarHBondContact NE2-CD2 2.8Å; Q166-H434 PolarHBondContact NE2-CE1 2.8Å; Q166-H434 PolarHBondContact NE2-ND1 2.84Å; Q166-H434 PolarHBondContact NE2-NE2 2.61Å
435	Y	95.8	Very high	87	Confident	4 Å²	4	64.8 Å²	64.8	2%	0.016	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	1.6	179.7	-59.9	-73.5	0	0	0	113.7	L164 Q166 R186 V188 E433 F450 V451 A452	L164-Y435 PolarHBondContact O-OH 3.44Å; Q166-Y435 PolarHBondContact N-OH 3.49Å; R186-Y435 HydrophobicContact CG-CE2 4.45Å; V188-Y435 HydrophobicContact CB-CD2 4.4Å; V188-Y435 HydrophobicContact CG1-CD2 4.42Å; V188-Y435 HydrophobicContact CG1-CG 4.38Å; V188-Y435 HydrophobicContact CG2-CE2 4.41Å; E433-Y435 PolarHBondContact O-N 2.95Å; E433-Y435 VanDerWaalsContact O-N 3.12Å; Y435-F450 WeakPolarHBondContact O-CA 3.42Å; Y435-V451 WeakPolarHBondContact CB-O 3.44Å; Y435-V451 WeakPolarHBondContact CD1-O 3.42Å; Y435-V451 PolarHBondContact O-N 3.1Å; Y435-A452 HydrophobicContact CD1-CB 3.56Å; Y435-A452 HydrophobicContact CE1-CB 3.66Å; Y435-A452 HydrophobicContact CG-CB 4.04Å
436	G	95.1	Very high	88.5	Confident	18 Å²	18	63.5 Å²	63.5	19%	0.186	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	131.4	-174.9	0	0	0	0	0	113.1	E433 Y449	E433-G436 WeakPolarHBondContact O-CA 3.45Å; E433-G436 PolarHBondContact O-N 2.85Å; G436-Y449 CarbonylContact C-O 3.53Å; G436-Y449 WeakPolarHBondContact CA-O 3.5Å
437	I	94.6	Very high	89.5	Confident	27 Å²	27	63.3 Å²	63.3	14%	0.138	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.7	177	-54.5	174.5	0	0	0	107.3	I236 M244 Y449 V451	I236-I437 HydrophobicContact CD1-CG2 4.06Å; I236-I437 HydrophobicContact CG1-CG2 4.23Å; I236-I437 HydrophobicContact CG2-CG2 3.81Å; M244-I437 HydrophobicContact CB-CD1 4.15Å; M244-I437 HydrophobicContact CG-CD1 4.02Å; M244-I437 HydrophobicContact SD-CD1 3.66Å; I437-Y449 PolarHBondContact N-O 3.02Å; I437-Y449 PolarHBondContact O-N 2.92Å; I437-V451 HydrophobicContact CD1-CG2 4.43Å
438	K	93.8	Very high	89.9	Confident	93 Å²	93	57 Å²	57	40%	0.404	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	151.8	173.8	-54.1	-174.7	-161.5	174.1	0	110.1	G426 L428	G426-K438 WeakPolarHBondContact O-CE 3.22Å; G426-K438 PolarHBondContact O-NZ 2.76Å; L428-K438 HydrophobicContact CD1-CG 3.86Å; L428-K438 HydrophobicContact CG-CG 4.35Å
439	S	92.7	Very high	90.2	Very high	19 Å²	19	55.4 Å²	55.4	13%	0.133	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-61.1	164.1	168.7	64.5	0	0	0	0	112	H235 P446 L447	H235-S439 CarbonylContact O-C 3.48Å; H235-S439 WeakPolarHBondContact O-CA 3.35Å; H235-S439 VanDerWaalsContact O-CB 3.3Å; H235-S439 WeakPolarHBondContact O-CB 3.03Å; S439-P446 WeakPolarHBondContact OG-CA 3.37Å; S439-L447 WeakPolarHBondContact CB-O 3.28Å; S439-L447 PolarHBondContact N-O 2.55Å; S439-L447 PolarHBondContact OG-N 2.86Å; S439-L447 PolarHBondContact OG-O 3.02Å
440	S	91.9	Very high	90.6	Very high	29 Å²	29	51.5 Å²	51.5	20%	0.203	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-57.2	153.2	167.4	-164.6	0	0	0	0	111.1	H235 D442 S443	H235-S440 PolarHBondContact O-N 3.13Å; S440-D442 PolarHBondContact O-N 3.33Å; S440-D442 PolarHBondContact OG-OD2 3.32Å; S440-S443 WeakPolarHBondContact O-CB 3.31Å; S440-S443 PolarHBondContact O-N 3.15Å; S440-S443 VanDerWaalsContact O-N 3.16Å
441	I	88	Confident	91.2	Very high	171 Å²	171	46.7 Å²	46.7	88%	0.877	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-29.9	172.8	-61.5	171	0	0	0	110.3	S443	I441-S443 PolarHBondContact O-N 2.67Å
442	D	87	Confident	91.8	Very high	145 Å²	145	43.8 Å²	43.8	78%	0.775	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	0.3	177	-45.2	-69	0	0	0	113.5	S440	S440-D442 PolarHBondContact O-N 3.33Å; S440-D442 PolarHBondContact OG-OD2 3.32Å
443	S	86.2	Confident	92.2	Very high	17 Å²	17	42.1 Å²	42.1	12%	0.119	23%	0.231	C	C	.	.			trans	-67.2	130.8	177.2	-173	0	0	0	0	110.1	S440 I441 H445	S440-S443 WeakPolarHBondContact O-CB 3.31Å; S440-S443 PolarHBondContact O-N 3.15Å; S440-S443 VanDerWaalsContact O-N 3.16Å; I441-S443 PolarHBondContact O-N 2.67Å; S443-H445 WeakPolarHBondContact CB-O 3.15Å; S443-H445 PolarHBondContact O-N 3.23Å; S443-H445 PolarHBondContact OG-O 3.25Å
444	P	82.7	Confident	92.3	Very high	98 Å²	98	42.1 Å²	42.1	64%	0.636	23%	0.231	S	C	*	.	S	Bend	trans	-64.4	-22.8	178.4	27.1	-35.1	0	0	0	112.8
445	H	85.6	Confident	92.2	Very high	109 Å²	109	41 Å²	41	51%	0.505	23%	0.226	S	C	.	.	S	Bend	trans	-127.1	120.4	173.8	-61.4	-69.3	0	0	0	108.9	S443 L447	S443-H445 WeakPolarHBondContact CB-O 3.15Å; S443-H445 PolarHBondContact O-N 3.23Å; S443-H445 PolarHBondContact OG-O 3.25Å; H445-L447 PolarHBondContact O-N 2.87Å
446	P	89.7	Confident	92.1	Very high	66 Å²	66	40.9 Å²	40.9	43%	0.429	23%	0.226	S	C	.	.			trans	-74.4	115.6	179.4	29	-32.4	0	0	0	109.9	P272 S439	P272-P446 WeakPolarHBondContact CD-O 3.23Å; S439-P446 WeakPolarHBondContact OG-CA 3.37Å
447	L	92.7	Very high	92	Very high	29 Å²	29	40.5 Å²	40.5	15%	0.152	22%	0.22	C	C	.	.			trans	-123.6	160.2	-176.6	-66.7	178.1	0	0	0	111.5	V269 D271 S439 H445 Y449	V269-L447 HydrophobicContact CG1-CB 4.42Å; V269-L447 HydrophobicContact CG1-CD1 4.11Å; V269-L447 HydrophobicContact CG1-CD2 4.23Å; D271-L447 HydrophobicContact CB-CD2 3.82Å; S439-L447 WeakPolarHBondContact CB-O 3.28Å; S439-L447 PolarHBondContact N-O 2.55Å; S439-L447 PolarHBondContact OG-N 2.86Å; S439-L447 PolarHBondContact OG-O 3.02Å; H445-L447 PolarHBondContact O-N 2.87Å; L447-Y449 HydrophobicContact CB-CE1 4.25Å; L447-Y449 HydrophobicContact CB-CE2 4.37Å; L447-Y449 HydrophobicContact CD1-CE1 4.28Å
448	I	93.7	Very high	91.7	Very high	6 Å²	6	41 Å²	41	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	119.3	173.5	-61.8	177.9	0	0	0	108.7	L193 H270 F424 L428 F450	L193-I448 HydrophobicContact CD1-CD1 3.92Å; L193-I448 HydrophobicContact CD1-CG2 4.44Å; H270-I448 HydrophobicContact CB-CB 4.17Å; H270-I448 PolarHBondContact N-O 3.18Å; H270-I448 PolarHBondContact O-N 3.02Å; F424-I448 HydrophobicContact CE1-CD1 3.53Å; F424-I448 HydrophobicContact CE2-CD1 4.19Å; F424-I448 HydrophobicContact CZ-CD1 3.33Å; L428-I448 HydrophobicContact CD1-CG2 4.35Å; L428-I448 HydrophobicContact CD2-CD1 4.2Å; L428-I448 HydrophobicContact CD2-CG2 3.95Å; I448-F450 HydrophobicContact CG2-CD2 4.4Å; I448-F450 HydrophobicContact CG2-CE2 3.72Å; I448-F450 HydrophobicContact CG2-CZ 3.95Å
449	Y	94.9	Very high	91.3	Very high	1 Å²	1	42.8 Å²	42.8	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	130.2	-179.1	-51	-76	0	0	0	110	M234 H235 I236 G268 V269 G436 I437 L447	M234-Y449 HydrophobicContact CB-CE1 4.3Å; M234-Y449 HydrophobicContact CB-CE2 4.38Å; M234-Y449 HydrophobicContact CE-CD1 3.87Å; M234-Y449 HydrophobicContact CE-CD2 4.26Å; M234-Y449 HydrophobicContact CE-CG 3.65Å; M234-Y449 HydrophobicContact CG-CD1 4.25Å; M234-Y449 HydrophobicContact CG-CE1 4.16Å; H235-Y449 PolarHBondContact N-OH 2.75Å; I236-Y449 HydrophobicContact CD1-CD2 4Å; I236-Y449 HydrophobicContact CD1-CE2 4.41Å; I236-Y449 HydrophobicContact CG1-CD2 3.85Å; I236-Y449 HydrophobicContact CG1-CE2 3.86Å; G268-Y449 CarbonylContact O-C 3.41Å; G268-Y449 WeakPolarHBondContact O-CA 3.21Å; V269-Y449 HydrophobicContact CG1-CD1 4.32Å; V269-Y449 HydrophobicContact CG1-CE1 4.28Å; V269-Y449 HydrophobicContact CG2-CD1 4.19Å; V269-Y449 HydrophobicContact CG2-CE1 4.49Å; G436-Y449 CarbonylContact C-O 3.53Å; G436-Y449 WeakPolarHBondContact CA-O 3.5Å; I437-Y449 PolarHBondContact N-O 3.02Å; I437-Y449 PolarHBondContact O-N 2.92Å; L447-Y449 HydrophobicContact CB-CE1 4.25Å; L447-Y449 HydrophobicContact CB-CE2 4.37Å; L447-Y449 HydrophobicContact CD1-CE1 4.28Å
450	F	95.8	Very high	90.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	113.7	170.3	-70.5	-84.1	0	0	0	108.8	V188 F189 S190 L193 I195 I267 G268 H270 E433 Y435 I448	V188-F450 HydrophobicContact CG1-CB 4.49Å; V188-F450 WeakPolarHBondContact O-CD1 3.41Å; F189-F450 HydrophobicContact CD1-CB 3.78Å; F189-F450 HydrophobicContact CD1-CG 4.33Å; F189-F450 HydrophobicContact CE1-CB 4.29Å; S190-F450 VanDerWaalsContact CB-CZ 3.48Å; L193-F450 HydrophobicContact CB-CE2 4.48Å; L193-F450 HydrophobicContact CD1-CE2 4.43Å; L193-F450 HydrophobicContact CD1-CZ 4.14Å; I195-F450 HydrophobicContact CD1-CD2 3.64Å; I195-F450 HydrophobicContact CD1-CE2 4.08Å; I267-F450 CarbonylContact C-O 3.58Å; I267-F450 WeakPolarHBondContact CA-O 3.31Å; G268-F450 PolarHBondContact N-O 3.01Å; G268-F450 PolarHBondContact O-N 3.27Å; H270-F450 HydrophobicContact CB-CE2 4.25Å; E433-F450 HydrophobicContact CB-CE1 4.09Å; E433-F450 HydrophobicContact CG-CE1 4.23Å; Y435-F450 WeakPolarHBondContact O-CA 3.42Å; I448-F450 HydrophobicContact CG2-CD2 4.4Å; I448-F450 HydrophobicContact CG2-CE2 3.72Å; I448-F450 HydrophobicContact CG2-CZ 3.95Å
451	V	96.1	Very high	89.9	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	122	-170	-175	0	0	0	0	110.7	M234 M244 L265 L266 Y435 I437	M234-V451 HydrophobicContact CE-CG2 3.53Å; M244-V451 HydrophobicContact CE-CG1 3.92Å; M244-V451 HydrophobicContact SD-CG1 4.47Å; L265-V451 HydrophobicContact CD1-CG1 3.81Å; L265-V451 HydrophobicContact CD2-CG1 3.8Å; L265-V451 HydrophobicContact CG-CG1 3.89Å; L266-V451 WeakPolarHBondContact O-CA 3.34Å; Y435-V451 WeakPolarHBondContact CB-O 3.44Å; Y435-V451 WeakPolarHBondContact CD1-O 3.42Å; Y435-V451 PolarHBondContact O-N 3.1Å; I437-V451 HydrophobicContact CD1-CG2 4.43Å
452	A	97.3	Very high	88.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	150.4	176.3	0	0	0	0	0	112.5	L163 V188 L266 Y435	L163-A452 CarbonylContact O-C 3.54Å; L163-A452 WeakPolarHBondContact O-CA 3.35Å; V188-A452 HydrophobicContact CB-CB 4.16Å; V188-A452 HydrophobicContact CG1-CB 3.51Å; V188-A452 HydrophobicContact CG2-CB 3.53Å; L266-A452 PolarHBondContact N-O 3.28Å; L266-A452 PolarHBondContact O-N 3.46Å; Y435-A452 HydrophobicContact CD1-CB 3.56Å; Y435-A452 HydrophobicContact CE1-CB 3.66Å; Y435-A452 HydrophobicContact CG-CB 4.04Å
453	I	97.1	Very high	87.6	Confident	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	140.6	169.1	-53.9	170.6	0	0	0	108.8	L163 L164 P165 L248 D251 L255 Y263 S264 L265 I456	L163-I453 HydrophobicContact CB-CD1 4.39Å; L163-I453 HydrophobicContact CB-CG1 4.14Å; L163-I453 PolarHBondContact O-N 3.29Å; L164-I453 HydrophobicContact CD2-CB 4.34Å; L164-I453 HydrophobicContact CD2-CD1 4Å; L164-I453 HydrophobicContact CD2-CG2 4.45Å; P165-I453 VanDerWaalsContact CD-O 3.24Å; P165-I453 WeakPolarHBondContact CD-O 3.36Å; P165-I453 VanDerWaalsContact CG-O 3.31Å; P165-I453 WeakPolarHBondContact CG-O 3.34Å; L248-I453 HydrophobicContact CD1-CD1 3.79Å; L248-I453 HydrophobicContact CD1-CG1 4.07Å; D251-I453 HydrophobicContact CB-CD1 3.54Å; L255-I453 HydrophobicContact CD1-CD1 4.25Å; L255-I453 HydrophobicContact CD1-CG2 3.98Å; Y263-I453 HydrophobicContact CD2-CG2 3.95Å; Y263-I453 HydrophobicContact CG-CG2 4.27Å; S264-I453 CarbonylContact O-C 3.53Å; S264-I453 WeakPolarHBondContact O-CA 3.4Å; L265-I453 HydrophobicContact CD1-CG1 3.84Å; I453-I456 HydrophobicContact CG2-CG2 3.68Å
454	I	94.7	Very high	86.6	Confident	6 Å²	6	45.3 Å²	45.3	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	161.5	-172.9	54.6	155.5	0	0	0	113.8	Y263 S264 L266 L333 I456	Y263-I454 WeakPolarHBondContact CA-O 3.49Å; Y263-I454 WeakPolarHBondContact CB-O 3.5Å; S264-I454 PolarHBondContact N-O 3.03Å; S264-I454 VanDerWaalsContact N-O 3.09Å; S264-I454 VanDerWaalsContact O-CG1 3.25Å; S264-I454 WeakPolarHBondContact O-CG1 3.2Å; S264-I454 PolarHBondContact O-N 3.18Å; L266-I454 HydrophobicContact CB-CD1 3.79Å; L266-I454 HydrophobicContact CB-CG1 3.96Å; L266-I454 HydrophobicContact CB-CG2 3.87Å; L266-I454 HydrophobicContact CD1-CD1 4.42Å; L266-I454 HydrophobicContact CD2-CG2 4.12Å; L266-I454 HydrophobicContact CG-CD1 4.48Å; L333-I454 HydrophobicContact CD2-CB 3.49Å; L333-I454 VanDerWaalsContact CD2-CB 3.49Å; L333-I454 HydrophobicContact CD2-CD1 3.7Å; L333-I454 HydrophobicContact CD2-CG1 4.13Å; L333-I454 HydrophobicContact CD2-CG2 3.95Å; L333-I454 HydrophobicContact CG-CD1 4.48Å; I454-I456 VanDerWaalsContact C-N 3.32Å; I454-I456 PolarHBondContact O-N 3.17Å
455	D	90.6	Very high	85.7	Confident	21 Å²	21	46.8 Å²	46.8	11%	0.112	22%	0.216	C	C	.	.			trans	55.9	36.5	177.7	-86.5	-21.6	0	0	0	115.5	K134 L333 L457	K134-D455 IonicContact NZ-OD1 2.71Å; K134-D455 PolarHBondContact NZ-OD1 2.96Å; L333-D455 WeakPolarHBondContact CA-OD2 3.41Å; L333-D455 HydrophobicContact CD2-CB 4.26Å; D455-L457 PolarHBondContact O-N 2.76Å
456	I	94.6	Very high	84.8	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.01	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	1	-173.9	68.3	165.2	0	0	0	116.7	M147 L164 P165 F167 L255 L260 I453 I454 T458	M147-I456 HydrophobicContact CE-CD1 3.82Å; M147-I456 HydrophobicContact CE-CG1 4.29Å; L164-I456 HydrophobicContact CD2-CD1 4.24Å; L164-I456 HydrophobicContact CD2-CG2 4.29Å; P165-I456 HydrophobicContact CG-CD1 4.45Å; P165-I456 HydrophobicContact CG-CG1 4.36Å; F167-I456 HydrophobicContact CE2-CD1 3.94Å; F167-I456 HydrophobicContact CZ-CD1 3.87Å; F167-I456 HydrophobicContact CZ-CG1 3.98Å; L255-I456 HydrophobicContact CD1-CG2 4.22Å; L255-I456 HydrophobicContact CD2-CB 3.75Å; L255-I456 HydrophobicContact CD2-CD1 4.16Å; L255-I456 HydrophobicContact CD2-CG2 3.82Å; L260-I456 WeakPolarHBondContact CD1-O 3.37Å; L260-I456 WeakPolarHBondContact CD2-O 3.07Å; I453-I456 HydrophobicContact CG2-CG2 3.68Å; I454-I456 VanDerWaalsContact C-N 3.32Å; I454-I456 PolarHBondContact O-N 3.17Å; I456-T458 VanDerWaalsContact C-N 3.34Å; I456-T458 PolarHBondContact O-N 2.87Å
457	L	92.6	Very high	83.6	Confident	10 Å²	10	45 Å²	45	5%	0.052	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	9.7	-174.5	-61.6	178.8	0	0	0	114.5	I136 E140 Q143 M144 M147 L183 D455 R459	I136-L457 HydrophobicContact CD1-CD1 4.46Å; E140-L457 HydrophobicContact CB-CB 4.25Å; E140-L457 HydrophobicContact CB-CD1 3.96Å; E140-L457 HydrophobicContact CG-CB 3.93Å; E140-L457 HydrophobicContact CG-CD1 4.33Å; Q143-L457 WeakPolarHBondContact CG-O 3.39Å; M144-L457 HydrophobicContact CB-CD2 4.22Å; M144-L457 HydrophobicContact SD-CD2 3.98Å; M147-L457 HydrophobicContact CE-CD2 3.54Å; M147-L457 HydrophobicContact SD-CD2 3.88Å; L183-L457 HydrophobicContact CD2-CD1 3.74Å; D455-L457 PolarHBondContact O-N 2.76Å; L457-R459 PolarHBondContact O-N 3.49Å
458	T	88	Confident	82	Confident	39 Å²	39	45.9 Å²	45.9	24%	0.239	22%	0.219	C	C	.	.			trans	-89.5	101.6	178.3	-58.6	0	0	0	0	111.3	I261 D262 I456	I261-T458 HydrophobicContact CG1-CG2 4.27Å; I261-T458 PolarHBondContact N-O 2.88Å; I261-T458 WeakPolarHBondContact O-CB 3.37Å; D262-T458 HydrophobicContact CB-CG2 4.13Å; I456-T458 VanDerWaalsContact C-N 3.34Å; I456-T458 PolarHBondContact O-N 2.87Å
459	R	85.9	Confident	80.6	Confident	130 Å²	130	49.9 Å²	49.9	49%	0.491	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-71.8	143	175.9	-153.2	-168.2	-179.8	177.4	-3.5	112.9	Q143 L457 G461	Q143-R459 HydrophobicContact CG-CB 4.49Å; Q143-R459 VanDerWaalsContact OE1-CB 3.23Å; L457-R459 PolarHBondContact O-N 3.49Å; R459-G461 PolarHBondContact O-N 3.11Å
460	Y	81.3	Confident	79.2	Confident	28 Å²	28	55.3 Å²	55.3	11%	0.11	27%	0.266	C	S	.	.			trans	-73.7	65.4	167.5	-169.1	-118.9	0	0	0	112.6	N259 I261 K464 R465 Q468 P484	N259-Y460 VanDerWaalsContact O-CB 3.3Å; N259-Y460 WeakPolarHBondContact O-CB 3.31Å; N259-Y460 PolarHBondContact O-N 3Å; I261-Y460 HydrophobicContact CD1-CD2 3.8Å; I261-Y460 HydrophobicContact CG1-CD2 4.42Å; I261-Y460 HydrophobicContact CG2-CD2 4.44Å; Y460-K464 HydrophobicContact CD2-CB 3.74Å; Y460-K464 HydrophobicContact CE2-CB 3.96Å; Y460-R465 HydrophobicContact CD1-CG 4.46Å; Y460-R465 HydrophobicContact CE1-CG 3.72Å; Y460-R465 HydrophobicContact CE2-CG 4.29Å; Y460-Q468 PolarHBondContact OH-OE1 3.16Å; Y460-P484 HydrophobicContact CD1-CG 4.24Å; Y460-P484 HydrophobicContact CG-CG 4.23Å
461	G	73.1	Confident	77.6	Confident	24 Å²	24	59.9 Å²	59.9	25%	0.247	29%	0.285	C	S	.	.			trans	-82.8	-176.2	-178.5	0	0	0	0	0	114.9	R459 R463 K464 R465	R459-G461 PolarHBondContact O-N 3.11Å; G461-R463 VanDerWaalsContact C-N 3.26Å; G461-R463 PolarHBondContact O-N 3.26Å; G461-K464 PolarHBondContact O-N 3.04Å; G461-K464 VanDerWaalsContact O-N 3.1Å; G461-R465 PolarHBondContact O-N 3.36Å
462	M	60.9	Low	76	Confident	144 Å²	144	62.7 Å²	62.7	71%	0.709	30%	0.303	S	S	*	.	H	α-helix	trans	-54.9	-39.7	175.6	-68	-178.7	-177.8	0	0	112.5	K464 R465 T466	M462-K464 VanDerWaalsContact C-N 3.32Å; M462-K464 PolarHBondContact O-N 2.9Å; M462-R465 PolarHBondContact O-N 3Å; M462-T466 PolarHBondContact O-N 2.67Å; M462-T466 PolarHBondContact O-OG1 3.13Å
463	R	66.5	Low	74.6	Confident	177 Å²	177	68.4 Å²	68.4	67%	0.668	34%	0.337	S	S	*	.	H	α-helix	trans	-56.7	-42.8	176.7	-61.5	-176.9	-172	163.9	1.1	112.3	E139 G461 A467	E139-R463 IonicContact OE1-CZ 3.8Å; E139-R463 IonicContact OE1-NH1 2.72Å; E139-R463 PolarHBondContact OE1-NH1 2.85Å; E139-R463 IonicContact OE1-NH2 2.67Å; E139-R463 PolarHBondContact OE1-NH2 3.47Å; E139-R463 IonicContact OE2-CZ 2.71Å; E139-R463 IonicContact OE2-NH1 3.27Å; E139-R463 PolarHBondContact OE2-NH1 3.29Å; G461-R463 VanDerWaalsContact C-N 3.26Å; G461-R463 PolarHBondContact O-N 3.26Å; R463-A467 WeakPolarHBondContact O-CB 3.28Å; R463-A467 PolarHBondContact O-N 3.48Å
464	K	65.8	Low	72.9	Confident	61 Å²	61	74.1 Å²	74.1	27%	0.265	36%	0.362	S	S	.	.	H	α-helix	trans	-74.8	-37.8	178.7	-65.6	-73.5	-176.6	170.9	0	111.8	I261 D262 Y460 G461 M462 A467 Q468 S481	I261-K464 HydrophobicContact CD1-CB 4.28Å; I261-K464 HydrophobicContact CD1-CD 3.94Å; I261-K464 HydrophobicContact CD1-CG 4.01Å; D262-K464 WeakPolarHBondContact OD2-CE 3.42Å; D262-K464 IonicContact OD2-NZ 2.9Å; D262-K464 PolarHBondContact OD2-NZ 2.85Å; Y460-K464 HydrophobicContact CD2-CB 3.74Å; Y460-K464 HydrophobicContact CE2-CB 3.96Å; G461-K464 PolarHBondContact O-N 3.04Å; G461-K464 VanDerWaalsContact O-N 3.1Å; M462-K464 VanDerWaalsContact C-N 3.32Å; M462-K464 PolarHBondContact O-N 2.9Å; K464-A467 CarbonylContact O-C 3.59Å; K464-A467 PolarHBondContact O-N 2.92Å; K464-Q468 PolarHBondContact O-N 3.45Å; K464-S481 PolarHBondContact O-OG 2.94Å
465	R	63.6	Low	71.1	Confident	128 Å²	128	80.2 Å²	80.2	48%	0.483	39%	0.39	S	S	.	.	H	α-helix	trans	-58.9	-45.7	170.6	-73.8	-174.5	-79.4	173.5	-5.7	112.2	Y460 G461 M462 A467 Q468 T469	Y460-R465 HydrophobicContact CD1-CG 4.46Å; Y460-R465 HydrophobicContact CE1-CG 3.72Å; Y460-R465 HydrophobicContact CE2-CG 4.29Å; G461-R465 PolarHBondContact O-N 3.36Å; M462-R465 PolarHBondContact O-N 3Å; R465-A467 PolarHBondContact O-N 3.2Å; R465-Q468 WeakPolarHBondContact O-CB 3.37Å; R465-Q468 PolarHBondContact O-N 3.46Å; R465-T469 PolarHBondContact O-N 3.35Å; R465-T469 PolarHBondContact O-OG1 3.34Å
466	T	66.5	Low	69.4	Low	99 Å²	99	81 Å²	81	61%	0.607	40%	0.404	S	S	*	.	H	α-helix	trans	-64.4	-39.6	175.6	-53.7	0	0	0	0	111.8	M462 Q468 T469 Y470	M462-T466 PolarHBondContact O-N 2.67Å; M462-T466 PolarHBondContact O-OG1 3.13Å; T466-Q468 VanDerWaalsContact C-N 3.32Å; T466-Q468 PolarHBondContact O-N 2.81Å; T466-T469 PolarHBondContact O-N 3.28Å; T466-Y470 WeakPolarHBondContact O-CB 3.35Å; T466-Y470 PolarHBondContact O-N 3.23Å
467	A	63.4	Low	67.5	Low	39 Å²	39	84.6 Å²	84.6	32%	0.322	43%	0.433	S	S	.	.	H	α-helix	trans	-64.4	-34.3	173.4	0	0	0	0	0	112.7	R463 K464 R465 K471	R463-A467 WeakPolarHBondContact O-CB 3.28Å; R463-A467 PolarHBondContact O-N 3.48Å; K464-A467 CarbonylContact O-C 3.59Å; K464-A467 PolarHBondContact O-N 2.92Å; R465-A467 PolarHBondContact O-N 3.2Å; A467-K471 WeakPolarHBondContact O-CB 3.29Å; A467-K471 WeakPolarHBondContact O-CG 3.27Å; A467-K471 PolarHBondContact O-N 3.2Å
468	Q	60.7	Low	65.5	Low	47 Å²	47	91.6 Å²	91.6	22%	0.22	47%	0.471	C	S	.	.	H	α-helix	trans	-61.3	-57.9	172.2	-167.8	-177.8	30.2	0	0	109.6	Y460 K464 R465 T466 Y470 K471 T472 S481	Y460-Q468 PolarHBondContact OH-OE1 3.16Å; K464-Q468 PolarHBondContact O-N 3.45Å; R465-Q468 WeakPolarHBondContact O-CB 3.37Å; R465-Q468 PolarHBondContact O-N 3.46Å; T466-Q468 VanDerWaalsContact C-N 3.32Å; T466-Q468 PolarHBondContact O-N 2.81Å; Q468-Y470 VanDerWaalsContact C-N 3.26Å; Q468-Y470 PolarHBondContact O-N 3.5Å; Q468-K471 PolarHBondContact O-N 3.37Å; Q468-T472 WeakPolarHBondContact O-CB 3.15Å; Q468-T472 PolarHBondContact O-N 2.92Å; Q468-T472 PolarHBondContact O-OG1 3.33Å; Q468-T472 VanDerWaalsContact O-OG1 3.09Å; Q468-S481 VanDerWaalsContact CA-OG 3.3Å; Q468-S481 WeakPolarHBondContact CA-OG 3.38Å; Q468-S481 WeakPolarHBondContact CB-OG 3.49Å; Q468-S481 WeakPolarHBondContact CG-O 3.26Å; Q468-S481 PolarHBondContact N-OG 2.79Å; Q468-S481 PolarHBondContact NE2-O 2.89Å
469	T	64	Low	63.6	Low	91 Å²	91	91 Å²	91	56%	0.558	47%	0.473	S	S	*	.	H	α-helix	trans	-52.7	-45.4	179.9	-51	0	0	0	0	111.6	R465 T466 V473	R465-T469 PolarHBondContact O-N 3.35Å; R465-T469 PolarHBondContact O-OG1 3.34Å; T466-T469 PolarHBondContact O-N 3.28Å; T469-V473 WeakPolarHBondContact O-CB 3.44Å; T469-V473 WeakPolarHBondContact O-CG2 3.25Å; T469-V473 PolarHBondContact O-N 3.32Å
470	Y	65.2	Low	61.9	Low	114 Å²	114	85.1 Å²	85.1	45%	0.447	45%	0.453	S	S	.	.	H	α-helix	trans	-64.1	-43.5	177.7	-175.8	-97.9	0	0	0	113.3	T466 Q468 K474	T466-Y470 WeakPolarHBondContact O-CB 3.35Å; T466-Y470 PolarHBondContact O-N 3.23Å; Q468-Y470 VanDerWaalsContact C-N 3.26Å; Q468-Y470 PolarHBondContact O-N 3.5Å; Y470-K474 HydrophobicContact CD1-CD 4.41Å; Y470-K474 HydrophobicContact CE1-CD 3.72Å; Y470-K474 PolarHBondContact O-N 2.73Å; Y470-K474 VanDerWaalsContact OH-CE 3.25Å; Y470-K474 WeakPolarHBondContact OH-CE 3.38Å; Y470-K474 PolarHBondContact OH-NZ 2.76Å
471	K	62.3	Low	60.5	Low	96 Å²	96	84.9 Å²	84.9	42%	0.417	46%	0.455	S	S	.	.	H	α-helix	trans	-70.1	-41.1	179.2	-77.8	-172.1	166.7	-158.9	0	112	A467 Q468 V473 K474 H475 G479	A467-K471 WeakPolarHBondContact O-CB 3.29Å; A467-K471 WeakPolarHBondContact O-CG 3.27Å; A467-K471 PolarHBondContact O-N 3.2Å; Q468-K471 PolarHBondContact O-N 3.37Å; K471-V473 VanDerWaalsContact C-N 3.34Å; K471-V473 PolarHBondContact O-N 3.1Å; K471-K474 PolarHBondContact O-N 3.06Å; K471-K474 VanDerWaalsContact O-N 3.11Å; K471-H475 PolarHBondContact O-N 2.8Å; K471-G479 WeakPolarHBondContact CD-O 3.29Å
472	T	61.9	Low	60.2	Low	59 Å²	59	85.8 Å²	85.8	36%	0.362	46%	0.455	S	S	.	.	H	α-helix	trans	-62	-40.2	175.8	-58.5	0	0	0	0	111.8	Q468 K474 G476	Q468-T472 WeakPolarHBondContact O-CB 3.15Å; Q468-T472 PolarHBondContact O-N 2.92Å; Q468-T472 PolarHBondContact O-OG1 3.33Å; Q468-T472 VanDerWaalsContact O-OG1 3.09Å; T472-K474 VanDerWaalsContact C-N 3.29Å; T472-K474 PolarHBondContact O-N 2.83Å; T472-G476 WeakPolarHBondContact CA-O 3.46Å; T472-G476 WeakPolarHBondContact O-CA 3.3Å; T472-G476 PolarHBondContact O-N 3.11Å
473	V	68	Low	61.3	Low	120 Å²	120	84.1 Å²	84.1	73%	0.727	44%	0.444	S	S	*	.	H	α-helix	trans	-65.7	-29.4	173.9	167.4	0	0	0	0	112.6	T469 K471	T469-V473 WeakPolarHBondContact O-CB 3.44Å; T469-V473 WeakPolarHBondContact O-CG2 3.25Å; T469-V473 PolarHBondContact O-N 3.32Å; K471-V473 VanDerWaalsContact C-N 3.34Å; K471-V473 PolarHBondContact O-N 3.1Å
474	K	61.5	Low	62.2	Low	122 Å²	122	75.8 Å²	75.8	53%	0.53	41%	0.413	S	S	.	.	H	α-helix	trans	-91.6	-35.7	-177.9	-85	-165	161.5	-173.2	0	116	Y470 K471 T472	Y470-K474 HydrophobicContact CD1-CD 4.41Å; Y470-K474 HydrophobicContact CE1-CD 3.72Å; Y470-K474 PolarHBondContact O-N 2.73Å; Y470-K474 VanDerWaalsContact OH-CE 3.25Å; Y470-K474 WeakPolarHBondContact OH-CE 3.38Å; Y470-K474 PolarHBondContact OH-NZ 2.76Å; K471-K474 PolarHBondContact O-N 3.06Å; K471-K474 VanDerWaalsContact O-N 3.11Å; T472-K474 VanDerWaalsContact C-N 3.29Å; T472-K474 PolarHBondContact O-N 2.83Å
475	H	57.7	Low	63.2	Low	133 Å²	133	76.9 Å²	76.9	62%	0.616	42%	0.419	S	S	*	.	H	α-helix	trans	-127.8	10	-167.5	-53.5	97.1	0	0	0	113.6	K471	K471-H475 PolarHBondContact O-N 2.8Å
476	G	54.2	Low	64.4	Low	39 Å²	39	76 Å²	76	40%	0.402	42%	0.419	S	S	.	.			trans	72.9	-174.5	-168.6	0	0	0	0	0	112.3	T472 D478	T472-G476 WeakPolarHBondContact CA-O 3.46Å; T472-G476 WeakPolarHBondContact O-CA 3.3Å; T472-G476 PolarHBondContact O-N 3.11Å; G476-D478 VanDerWaalsContact C-N 3.26Å; G476-D478 PolarHBondContact O-N 3.32Å
477	A	54.9	Low	65.6	Low	76 Å²	76	71.6 Å²	71.6	63%	0.628	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-63.1	-29.5	-171.5	0	0	0	0	0	113.9	G479	A477-G479 PolarHBondContact O-N 2.9Å
478	D	50.7	Low	66.9	Low	158 Å²	158	69.8 Å²	69.8	85%	0.845	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-83.3	-8.2	-161.1	-54.7	-37.8	0	0	0	115	G476	G476-D478 VanDerWaalsContact C-N 3.26Å; G476-D478 PolarHBondContact O-N 3.32Å
479	G	47.3	Very low	68.4	Low	27 Å²	27	74 Å²	74	28%	0.278	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-106.6	-4.7	-173.5	0	0	0	0	0	116.9	K471 A477	K471-G479 WeakPolarHBondContact CD-O 3.29Å; A477-G479 PolarHBondContact O-N 2.9Å
480	G	49.7	Very low	69.8	Low	6 Å²	6	73 Å²	73	6%	0.062	38%	0.376	C	S	.	.	S	Bend	trans	-116.7	134.8	-163.6	0	0	0	0	0	115.3	V482	G480-V482 PolarHBondContact O-N 2.78Å
481	S	53.7	Low	71.2	Confident	22 Å²	22	67.6 Å²	67.6	15%	0.154	36%	0.355	C	S	.	.			trans	-28.2	99.3	-179	45.3	0	0	0	0	113.7	K464 Q468	K464-S481 PolarHBondContact O-OG 2.94Å; Q468-S481 VanDerWaalsContact CA-OG 3.3Å; Q468-S481 WeakPolarHBondContact CA-OG 3.38Å; Q468-S481 WeakPolarHBondContact CB-OG 3.49Å; Q468-S481 WeakPolarHBondContact CG-O 3.26Å; Q468-S481 PolarHBondContact N-OG 2.79Å; Q468-S481 PolarHBondContact NE2-O 2.89Å
482	V	66.7	Low	72.7	Confident	43 Å²	43	64.7 Å²	64.7	26%	0.261	34%	0.343	S	S	.	.			trans	-71.5	154.6	-173.1	-134.6	0	0	0	0	110.1	G480 F486	G480-V482 PolarHBondContact O-N 2.78Å; V482-F486 HydrophobicContact CB-CB 4.07Å; V482-F486 HydrophobicContact CG1-CB 3.43Å; V482-F486 VanDerWaalsContact CG1-CB 3.43Å; V482-F486 HydrophobicContact CG1-CD2 4.32Å; V482-F486 HydrophobicContact CG1-CG 4.05Å
483	K	82.4	Confident	74.2	Confident	109 Å²	109	66.2 Å²	66.2	47%	0.474	35%	0.347	S	S	.	.			trans	-59.5	152.9	173	-50.8	-178.1	178.8	179.6	0	110.1	E485 F486 Y487	K483-E485 WeakPolarHBondContact CB-OE2 3.43Å; K483-E485 PolarHBondContact O-N 3.25Å; K483-E485 VanDerWaalsContact O-N 3.08Å; K483-F486 HydrophobicContact CB-CD2 4.17Å; K483-F486 HydrophobicContact CD-CE2 4.39Å; K483-F486 HydrophobicContact CG-CD2 4.47Å; K483-F486 PolarHBondContact O-N 3.01Å; K483-F486 VanDerWaalsContact O-N 3.11Å; K483-Y487 PolarHBondContact O-N 2.99Å
484	P	86.3	Confident	75.4	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.013	32%	0.317	C	S	.	.	H	α-helix	trans	-50	-38.4	-175.9	-26.7	33.5	0	0	0	114.3	Q256 N259 I261 Y460 Y487 G488	Q256-P484 HydrophobicContact CG-CB 4.42Å; Q256-P484 WeakPolarHBondContact CG-O 3.36Å; N259-P484 HydrophobicContact CB-CG 4.46Å; I261-P484 HydrophobicContact CG2-CB 4.12Å; I261-P484 HydrophobicContact CG2-CG 3.89Å; Y460-P484 HydrophobicContact CD1-CG 4.24Å; Y460-P484 HydrophobicContact CG-CG 4.23Å; P484-Y487 PolarHBondContact O-N 3.32Å; P484-G488 PolarHBondContact O-N 2.98Å
485	E	86.8	Confident	76.8	Confident	84 Å²	84	55.8 Å²	55.8	39%	0.393	29%	0.292	S	S	.	.	H	α-helix	trans	-64.4	-44.7	-176.9	-48.6	79.2	-172.8	0	0	111.7	Q256 K483 R489	Q256-E485 PolarHBondContact NE2-O 2.74Å; Q256-E485 VanDerWaalsContact NE2-O 3.16Å; K483-E485 WeakPolarHBondContact CB-OE2 3.43Å; K483-E485 PolarHBondContact O-N 3.25Å; K483-E485 VanDerWaalsContact O-N 3.08Å; E485-R489 WeakPolarHBondContact O-CB 3.48Å; E485-R489 PolarHBondContact O-N 3.28Å; E485-R489 VanDerWaalsContact O-N 3.14Å
486	F	88.7	Confident	78.5	Confident	109 Å²	109	54.9 Å²	54.9	48%	0.478	29%	0.288	S	S	.	.	H	α-helix	trans	-73.1	-36.8	176.2	-68	-80.4	0	0	0	111.9	V482 K483 R490	V482-F486 HydrophobicContact CB-CB 4.07Å; V482-F486 HydrophobicContact CG1-CB 3.43Å; V482-F486 VanDerWaalsContact CG1-CB 3.43Å; V482-F486 HydrophobicContact CG1-CD2 4.32Å; V482-F486 HydrophobicContact CG1-CG 4.05Å; K483-F486 HydrophobicContact CB-CD2 4.17Å; K483-F486 HydrophobicContact CD-CE2 4.39Å; K483-F486 HydrophobicContact CG-CD2 4.47Å; K483-F486 PolarHBondContact O-N 3.01Å; K483-F486 VanDerWaalsContact O-N 3.11Å; F486-R490 VanDerWaalsContact O-CB 3.22Å; F486-R490 WeakPolarHBondContact O-CB 3.49Å; F486-R490 PolarHBondContact O-N 3.24Å
487	Y	90.7	Very high	80.2	Confident	8 Å²	8	59.7 Å²	59.7	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-50.5	176.9	-175	-79.9	0	0	0	110.8	K202 D262 Y263 K483 P484 R490 L491	K202-Y487 WeakPolarHBondContact CD-OH 3.46Å; K202-Y487 WeakPolarHBondContact CG-OH 3.25Å; D262-Y487 VanDerWaalsContact C-OH 3.31Å; D262-Y487 VanDerWaalsContact CA-OH 3.27Å; D262-Y487 WeakPolarHBondContact CA-OH 3.29Å; Y263-Y487 HydrophobicContact CD1-CD1 4.48Å; Y263-Y487 HydrophobicContact CD1-CE1 4.1Å; Y263-Y487 AromaticContact CD2-CE1 3.82Å; Y263-Y487 HydrophobicContact CD2-CE1 3.82Å; Y263-Y487 AromaticContact CE1-CD1 3.88Å; Y263-Y487 HydrophobicContact CE1-CD1 3.88Å; Y263-Y487 AromaticContact CE1-CE1 3.94Å; Y263-Y487 HydrophobicContact CE1-CE1 3.94Å; Y263-Y487 AromaticContact CE2-CD1 3.92Å; Y263-Y487 HydrophobicContact CE2-CD1 3.92Å; Y263-Y487 AromaticContact CE2-CE1 3.64Å; Y263-Y487 HydrophobicContact CE2-CE1 3.64Å; Y263-Y487 HydrophobicContact CG-CE1 4.05Å; Y263-Y487 AromaticContact CZ-CD1 3.58Å; Y263-Y487 AromaticContact CZ-CE1 3.71Å; Y263-Y487 PolarHBondContact N-OH 2.79Å; Y263-Y487 PolarHBondContact O-OH 3.19Å; K483-Y487 PolarHBondContact O-N 2.99Å; P484-Y487 PolarHBondContact O-N 3.32Å; Y487-R490 PolarHBondContact O-N 3.34Å; Y487-L491 PolarHBondContact O-N 3.07Å; Y487-L491 VanDerWaalsContact O-N 3.16Å
488	G	92	Very high	81.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.3	-46.2	-179.8	0	0	0	0	0	113	I252 Y263 P484 R490 L491 L492	I252-G488 VanDerWaalsContact CG2-CA 3.48Å; Y263-G488 VanDerWaalsContact OH-CA 3.31Å; Y263-G488 WeakPolarHBondContact OH-CA 3.45Å; P484-G488 PolarHBondContact O-N 2.98Å; G488-R490 VanDerWaalsContact C-N 3.32Å; G488-R490 PolarHBondContact O-N 2.66Å; G488-L491 PolarHBondContact O-N 3.25Å; G488-L492 PolarHBondContact O-N 2.99Å
489	R	92.3	Very high	83.6	Confident	136 Å²	136	49 Å²	49	51%	0.513	23%	0.232	S	C	.	.	H	α-helix	trans	-57.6	-45.5	177	-174.6	-177.1	-58.8	146.5	6.3	112	E485 L491 L492 E493	E485-R489 WeakPolarHBondContact O-CB 3.48Å; E485-R489 PolarHBondContact O-N 3.28Å; E485-R489 VanDerWaalsContact O-N 3.14Å; R489-L491 VanDerWaalsContact C-N 3.31Å; R489-L491 PolarHBondContact O-N 3.18Å; R489-L492 WeakPolarHBondContact O-CB 3.34Å; R489-L492 PolarHBondContact O-N 3.21Å; R489-L492 VanDerWaalsContact O-N 3.14Å; R489-E493 WeakPolarHBondContact CD-OE1 3.25Å; R489-E493 HydrophobicContact CG-CG 4.2Å; R489-E493 WeakPolarHBondContact CG-OE1 3.35Å; R489-E493 WeakPolarHBondContact O-CG 3.26Å; R489-E493 PolarHBondContact O-N 3.33Å
490	R	92.8	Very high	85.4	Confident	71 Å²	71	52.3 Å²	52.3	27%	0.268	24%	0.244	S	C	.	.	H	α-helix	trans	-62.6	-36.4	179.6	-171.3	-163.1	67.6	-165	-1.5	112.5	K202 G203 F486 Y487 G488 F494	K202-R490 PolarHBondContact O-NE 3.32Å; K202-R490 PolarHBondContact O-NH2 2.93Å; G203-R490 WeakPolarHBondContact O-CD 3.45Å; G203-R490 WeakPolarHBondContact O-CG 3.32Å; G203-R490 PolarHBondContact O-NE 3.34Å; F486-R490 VanDerWaalsContact O-CB 3.22Å; F486-R490 WeakPolarHBondContact O-CB 3.49Å; F486-R490 PolarHBondContact O-N 3.24Å; Y487-R490 PolarHBondContact O-N 3.34Å; G488-R490 VanDerWaalsContact C-N 3.32Å; G488-R490 PolarHBondContact O-N 2.66Å; R490-F494 WeakPolarHBondContact O-CB 3.46Å; R490-F494 PolarHBondContact O-N 3.49Å
491	L	94.1	Very high	87.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-66.4	-45.1	172.5	177.7	62.2	0	0	0	111.2	I252 Y263 L265 Y487 G488 R489 F494 V495	I252-L491 HydrophobicContact CD1-CB 4.5Å; I252-L491 HydrophobicContact CD1-CD2 4.28Å; I252-L491 HydrophobicContact CD1-CG 4.43Å; Y263-L491 HydrophobicContact CD2-CD2 3.93Å; Y263-L491 HydrophobicContact CE2-CD2 3.73Å; L265-L491 HydrophobicContact CB-CD1 4.33Å; Y487-L491 PolarHBondContact O-N 3.07Å; Y487-L491 VanDerWaalsContact O-N 3.16Å; G488-L491 PolarHBondContact O-N 3.25Å; R489-L491 VanDerWaalsContact C-N 3.31Å; R489-L491 PolarHBondContact O-N 3.18Å; L491-F494 PolarHBondContact O-N 3.25Å; L491-V495 HydrophobicContact CD1-CG2 3.93Å; L491-V495 HydrophobicContact CG-CG2 4.33Å; L491-V495 VanDerWaalsContact O-CG2 3.24Å; L491-V495 WeakPolarHBondContact O-CG2 3.47Å; L491-V495 PolarHBondContact O-N 2.92Å
492	L	94.3	Very high	88.9	Confident	34 Å²	34	56.4 Å²	56.4	18%	0.178	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-51.4	179.3	-177.2	67.8	0	0	0	111.9	L245 L248 E249 I252 G488 R489 F494 V495 E496	L245-L492 HydrophobicContact CD2-CD1 4.43Å; L248-L492 HydrophobicContact CD2-CD1 4.02Å; L248-L492 HydrophobicContact CG-CD1 4.07Å; E249-L492 HydrophobicContact CG-CD1 3.86Å; E249-L492 HydrophobicContact CG-CD2 3.65Å; E249-L492 HydrophobicContact CG-CG 4.42Å; I252-L492 HydrophobicContact CD1-CB 4.05Å; G488-L492 PolarHBondContact O-N 2.99Å; R489-L492 WeakPolarHBondContact O-CB 3.34Å; R489-L492 PolarHBondContact O-N 3.21Å; R489-L492 VanDerWaalsContact O-N 3.14Å; L492-F494 VanDerWaalsContact C-N 3.26Å; L492-F494 PolarHBondContact O-N 2.74Å; L492-V495 PolarHBondContact O-N 2.98Å; L492-V495 VanDerWaalsContact O-N 3.15Å; L492-E496 PolarHBondContact O-N 2.98Å
493	E	93.1	Very high	90.2	Very high	92 Å²	92	57.1 Å²	57.1	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-57.7	-37.8	177.6	-72.1	169.2	-179.1	0	0	112.1	R489 Q497	R489-E493 WeakPolarHBondContact CD-OE1 3.25Å; R489-E493 HydrophobicContact CG-CG 4.2Å; R489-E493 WeakPolarHBondContact CG-OE1 3.35Å; R489-E493 WeakPolarHBondContact O-CG 3.26Å; R489-E493 PolarHBondContact O-N 3.33Å; E493-Q497 VanDerWaalsContact O-CG 3.32Å; E493-Q497 WeakPolarHBondContact O-CG 3.45Å; E493-Q497 PolarHBondContact O-N 2.96Å; E493-Q497 PolarHBondContact O-NE2 3.13Å; E493-Q497 VanDerWaalsContact O-NE2 3.1Å
494	F	92.4	Very high	90.6	Very high	22 Å²	22	54.1 Å²	54.1	10%	0.096	25%	0.245	C	C	.	.	H	α-helix	trans	-69.3	-44.3	176	-178.9	-98.9	0	0	0	112.1	L201 D224 L228 R490 L491 L492 E496 Q497 C498	L201-F494 HydrophobicContact CB-CE1 4.16Å; L201-F494 HydrophobicContact CD1-CE1 4.11Å; L201-F494 HydrophobicContact CD2-CE1 4.08Å; L201-F494 HydrophobicContact CG-CE1 4.34Å; D224-F494 HydrophobicContact CB-CE1 4.18Å; D224-F494 HydrophobicContact CB-CE2 4.22Å; D224-F494 HydrophobicContact CB-CZ 3.68Å; L228-F494 HydrophobicContact CD1-CE2 4.12Å; L228-F494 HydrophobicContact CD2-CE2 4.25Å; L228-F494 HydrophobicContact CG-CE2 4.18Å; L228-F494 HydrophobicContact CG-CZ 4.36Å; R490-F494 WeakPolarHBondContact O-CB 3.46Å; R490-F494 PolarHBondContact O-N 3.49Å; L491-F494 PolarHBondContact O-N 3.25Å; L492-F494 VanDerWaalsContact C-N 3.26Å; L492-F494 PolarHBondContact O-N 2.74Å; F494-E496 VanDerWaalsContact C-N 3.34Å; F494-E496 PolarHBondContact O-N 3.23Å; F494-Q497 WeakPolarHBondContact O-CB 3.46Å; F494-Q497 PolarHBondContact O-N 3.35Å; F494-C498 VanDerWaalsContact CE1-SG 3.55Å; F494-C498 PolarHBondContact O-N 3.14Å; F494-C498 PolarHBondContact O-SG 2.89Å
495	V	92.7	Very high	90.9	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	26%	0.26	C	S	.	.	H	α-helix	trans	-66.9	-36.3	180	173.8	0	0	0	0	111.3	M244 L245 L248 L265 L491 L492 Q497 C498 I499	M244-V495 HydrophobicContact CE-CG1 3.72Å; L245-V495 HydrophobicContact CD2-CG1 4.47Å; L248-V495 HydrophobicContact CD2-CB 3.96Å; L248-V495 HydrophobicContact CD2-CG1 3.64Å; L248-V495 HydrophobicContact CD2-CG2 4.22Å; L265-V495 HydrophobicContact CD2-CB 4.48Å; L265-V495 HydrophobicContact CD2-CG1 3.99Å; L265-V495 HydrophobicContact CD2-CG2 3.58Å; L491-V495 HydrophobicContact CD1-CG2 3.93Å; L491-V495 HydrophobicContact CG-CG2 4.33Å; L491-V495 VanDerWaalsContact O-CG2 3.24Å; L491-V495 WeakPolarHBondContact O-CG2 3.47Å; L491-V495 PolarHBondContact O-N 2.92Å; L492-V495 PolarHBondContact O-N 2.98Å; L492-V495 VanDerWaalsContact O-N 3.15Å; V495-Q497 VanDerWaalsContact C-N 3.31Å; V495-Q497 PolarHBondContact O-N 2.98Å; V495-C498 WeakPolarHBondContact O-CB 3.41Å; V495-C498 PolarHBondContact O-N 3.15Å; V495-C498 VanDerWaalsContact O-N 3.08Å; V495-I499 HydrophobicContact CG1-CD1 4.08Å; V495-I499 WeakPolarHBondContact O-CG1 3.46Å
496	E	92.3	Very high	91.2	Very high	114 Å²	114	55.5 Å²	55.5	53%	0.533	25%	0.251	S	S	.	.	H	α-helix	trans	-60	-39.9	173.5	-172.6	176.3	-160.3	0	0	112	L245 L492 F494 C498 I499	L245-E496 HydrophobicContact CD1-CG 4.41Å; L245-E496 HydrophobicContact CD2-CB 4.47Å; L492-E496 PolarHBondContact O-N 2.98Å; F494-E496 VanDerWaalsContact C-N 3.34Å; F494-E496 PolarHBondContact O-N 3.23Å; E496-C498 VanDerWaalsContact C-N 3.26Å; E496-C498 PolarHBondContact O-N 2.97Å; E496-I499 PolarHBondContact O-N 3.27Å
497	Q	89.7	Confident	91.4	Very high	139 Å²	139	51.7 Å²	51.7	65%	0.65	23%	0.234	S	C	*	.	H	α-helix	trans	-69.2	-21.5	175	-67.6	165.9	41.8	0	0	113.6	E493 F494 V495	E493-Q497 VanDerWaalsContact O-CG 3.32Å; E493-Q497 WeakPolarHBondContact O-CG 3.45Å; E493-Q497 PolarHBondContact O-N 2.96Å; E493-Q497 PolarHBondContact O-NE2 3.13Å; E493-Q497 VanDerWaalsContact O-NE2 3.1Å; F494-Q497 WeakPolarHBondContact O-CB 3.46Å; F494-Q497 PolarHBondContact O-N 3.35Å; V495-Q497 VanDerWaalsContact C-N 3.31Å; V495-Q497 PolarHBondContact O-N 2.98Å
498	C	89	Confident	91.4	Very high	4 Å²	4	55.1 Å²	55.1	3%	0.027	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-8.8	-179	-67.1	0	0	0	0	114.1	F227 K233 M234 F494 V495 E496	F227-C498 HydrophobicContact CD1-CB 4.41Å; F227-C498 HydrophobicContact CE1-CB 3.45Å; F227-C498 VanDerWaalsContact CE1-CB 3.45Å; F227-C498 WeakPolarHBondContact CE1-SG 3.49Å; F227-C498 HydrophobicContact CZ-CB 3.83Å; K233-C498 WeakPolarHBondContact CA-O 3.27Å; M234-C498 PolarHBondContact N-O 3.05Å; F494-C498 VanDerWaalsContact CE1-SG 3.55Å; F494-C498 PolarHBondContact O-N 3.14Å; F494-C498 PolarHBondContact O-SG 2.89Å; V495-C498 WeakPolarHBondContact O-CB 3.41Å; V495-C498 PolarHBondContact O-N 3.15Å; V495-C498 VanDerWaalsContact O-N 3.08Å; E496-C498 VanDerWaalsContact C-N 3.26Å; E496-C498 PolarHBondContact O-N 2.97Å
499	I	89.2	Confident	91.4	Very high	6 Å²	6	59.7 Å²	59.7	3%	0.031	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-115.4	126.3	-174.3	-54.4	164.1	0	0	0	109.5	M234 I236 K241 M244 L245 V495 E496	M234-I499 HydrophobicContact CB-CG1 4.23Å; M234-I499 WeakPolarHBondContact O-CA 3.39Å; M234-I499 WeakPolarHBondContact O-CG2 3.31Å; M234-I499 HydrophobicContact SD-CG1 4.2Å; I236-I499 HydrophobicContact CB-CG2 4.12Å; I236-I499 HydrophobicContact CD1-CG2 4.46Å; K241-I499 HydrophobicContact CB-CG2 4.34Å; K241-I499 HydrophobicContact CD-CB 4.47Å; K241-I499 HydrophobicContact CD-CG2 3.69Å; K241-I499 HydrophobicContact CG-CG2 3.82Å; K241-I499 PolarHBondContact NZ-O 3.28Å; M244-I499 HydrophobicContact CE-CD1 3.65Å; M244-I499 HydrophobicContact SD-CD1 4.08Å; L245-I499 HydrophobicContact CD2-CD1 4.19Å; L245-I499 HydrophobicContact CG-CD1 4.5Å; V495-I499 HydrophobicContact CG1-CD1 4.08Å; V495-I499 WeakPolarHBondContact O-CG1 3.46Å; E496-I499 PolarHBondContact O-N 3.27Å
500	D	84.3	Confident	91.3	Very high	97 Å²	97	52.7 Å²	52.7	52%	0.519	25%	0.249	S	C	.	.			trans	-84.1	0	168	-126.2	11.5	0	0	0	109.7	K233 M234 H235 I236 K241	K233-D500 HydrophobicContact CB-CB 4.19Å; K233-D500 HydrophobicContact CD-CB 3.72Å; K233-D500 WeakPolarHBondContact CD-OD1 3.43Å; K233-D500 IonicContact NZ-OD1 2.61Å; K233-D500 PolarHBondContact NZ-OD1 3.35Å; K233-D500 IonicContact NZ-OD2 3.71Å; M234-D500 PolarHBondContact O-N 3.01Å; H235-D500 IonicContact CE1-OD2 2.58Å; H235-D500 PolarHBondContact CE1-OD2 3.4Å; H235-D500 VanDerWaalsContact CE1-OD2 3.27Å; H235-D500 WeakPolarHBondContact ND1-CB 3.43Å; H235-D500 IonicContact ND1-OD2 2.88Å; H235-D500 PolarHBondContact ND1-OD2 3.31Å; I236-D500 PolarHBondContact N-O 3.08Å; K241-D500 PolarHBondContact NZ-OXT 3.49Å

Retrieved 500 of 500 residues in 168.2 ms (Link to these results)

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