A0A5K4FBY6_SCHMA Loading...

1-phosphatidylinositol-5-phosphate 4-kinase

AlphaFold DB , UniProt , Accession A0A5K4FBY6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 563 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	49.1	Very low	45	Very low	251 Å²	251	167.3 Å²	167.3	100%	1.236	85%	0.853	S	S	*	*				0	142.8	0	-70	179.6	176	0	0	108.3
2	A	42.5	Very low	44.9	Very low	102 Å²	102	166 Å²	166	84%	0.843	85%	0.847	S	S	*	*			trans	-89.8	148.6	-164.1	0	0	0	0	0	114.3
3	T	41	Very low	44.2	Very low	136 Å²	136	165 Å²	165	83%	0.834	84%	0.84	S	S	*	*			trans	-80.4	135.5	174.8	49.4	0	0	0	0	112.4
4	V	49.4	Very low	44.1	Very low	119 Å²	119	167 Å²	167	72%	0.721	84%	0.84	S	S	*	*			trans	-142.4	102.6	157.8	-173.6	0	0	0	0	110.6	K6	V4-K6 HydrophobicContact CG1-CG 3.98Å
5	S	43.2	Very low	43.6	Very low	97 Å²	97	167.7 Å²	167.7	68%	0.678	84%	0.839	S	S	*	*			trans	-89.1	135.5	160	177	0	0	0	0	109.3
6	K	47.2	Very low	43.4	Very low	185 Å²	185	170.4 Å²	170.4	80%	0.804	84%	0.844	S	S	*	*			trans	-119.3	87.9	173.8	-73.7	-174	179.2	176.5	0	110.8	V4 K8	V4-K6 HydrophobicContact CG1-CG 3.98Å; K6-K8 PolarHBondContact O-N 3.44Å
7	H	49	Very low	43.8	Very low	184 Å²	184	168.6 Å²	168.6	85%	0.852	84%	0.838	S	S	*	*			trans	-73	104.1	163.9	-77.5	-48.2	0	0	0	110.3	K9	H7-K9 PolarHBondContact O-N 3.49Å
8	K	44.1	Very low	44.5	Very low	196 Å²	196	165.9 Å²	165.9	85%	0.852	82%	0.82	S	S	*	*			trans	-78.4	115.9	173.8	-162.1	173.7	-176.2	-179.5	0	109.4	K6 V10	K6-K8 PolarHBondContact O-N 3.44Å; K8-V10 PolarHBondContact O-N 3.23Å
9	K	44.1	Very low	45.3	Very low	209 Å²	209	161.7 Å²	161.7	91%	0.909	80%	0.801	S	S	*	*			trans	-71.1	103.1	-173.3	-156.8	173.4	-170.6	175	0	110.8	H7	H7-K9 PolarHBondContact O-N 3.49Å
10	V	45.8	Very low	46.5	Very low	128 Å²	128	154.4 Å²	154.4	78%	0.776	76%	0.764	S	S	*	*			trans	-80.2	125	176.8	-179.5	0	0	0	0	109.8	K8 I12	K8-V10 PolarHBondContact O-N 3.23Å; V10-I12 PolarHBondContact O-N 2.94Å
11	R	39.4	Very low	47.6	Very low	233 Å²	233	153.9 Å²	153.9	88%	0.879	75%	0.753	S	S	*	*			trans	-73.9	119.7	174	-83.7	-177.9	168	-178.3	-3.3	109.9	M13	R11-M13 PolarHBondContact O-N 3.13Å
12	I	44.4	Very low	48.9	Very low	152 Å²	152	143 Å²	143	78%	0.779	70%	0.704	S	S	*	*			trans	-80.1	99.7	168.9	-58.4	173.5	0	0	0	108.4	V10 K14	V10-I12 PolarHBondContact O-N 2.94Å; I12-K14 HydrophobicContact CG2-CG 4.37Å; I12-K14 PolarHBondContact O-N 3.35Å
13	M	34.9	Very low	50.8	Low	153 Å²	153	143.5 Å²	143.5	75%	0.754	69%	0.692	S	S	*	*			trans	-82.3	102.6	167	-70.7	-179.3	93.1	0	0	109.1	R11 Q15	R11-M13 PolarHBondContact O-N 3.13Å; M13-Q15 PolarHBondContact O-N 3.5Å
14	K	43.1	Very low	53	Low	193 Å²	193	140.1 Å²	140.1	84%	0.839	67%	0.666	S	S	*	*			trans	-72.9	104.9	167.3	-79.3	-174.4	175.8	179.5	0	109	I12 K16	I12-K14 HydrophobicContact CG2-CG 4.37Å; I12-K14 PolarHBondContact O-N 3.35Å; K14-K16 PolarHBondContact O-N 3.11Å
15	Q	36.7	Very low	54.9	Low	178 Å²	178	137.5 Å²	137.5	83%	0.832	65%	0.652	S	S	*	*			trans	-64.4	123.1	175.4	-163	169.4	1.9	0	0	109.9	M13 L17	M13-Q15 PolarHBondContact O-N 3.5Å; Q15-L17 VanDerWaalsContact C-N 3.32Å; Q15-L17 PolarHBondContact O-N 2.89Å
16	K	40.3	Very low	57.2	Low	211 Å²	211	134.2 Å²	134.2	92%	0.917	63%	0.627	S	S	*	*			trans	-71.1	84.7	176.4	-75.6	-177.9	175.6	178.9	0	110	K14 K18	K14-K16 PolarHBondContact O-N 3.11Å; K16-K18 PolarHBondContact O-N 3.32Å
17	L	49.8	Very low	59.3	Low	140 Å²	140	125.6 Å²	125.6	73%	0.733	59%	0.589	S	S	*	*			trans	-56.8	130.2	161.6	-84.8	140	0	0	0	108.8	Q15 L19	Q15-L17 VanDerWaalsContact C-N 3.32Å; Q15-L17 PolarHBondContact O-N 2.89Å; L17-L19 PolarHBondContact O-N 2.67Å
18	K	57.2	Low	61.3	Low	120 Å²	120	117.1 Å²	117.1	52%	0.522	55%	0.55	S	S	.	*			trans	-56.3	114.6	170.5	-80.6	-172.9	174.6	-172.7	0	107.7	K16 F20 W102	K16-K18 PolarHBondContact O-N 3.32Å; K18-F20 HydrophobicContact CB-CE1 3.94Å; K18-F20 HydrophobicContact CB-CZ 3.99Å; K18-F20 PolarHBondContact O-N 3.03Å; K18-F20 VanDerWaalsContact O-N 3.15Å; K18-W102 HydrophobicContact CD-CH2 4.34Å
19	L	59.2	Low	63.7	Low	86 Å²	86	107.8 Å²	107.8	45%	0.45	51%	0.51	S	S	.	.			trans	-78.4	98.6	179.3	-78.1	133.1	0	0	0	108.6	L17 R21 N72	L17-L19 PolarHBondContact O-N 2.67Å; L19-R21 HydrophobicContact CB-CG 4.36Å; L19-R21 PolarHBondContact O-N 3.17Å; L19-N72 HydrophobicContact CD2-CB 3.95Å
20	F	69	Low	66.1	Low	14 Å²	14	97.8 Å²	97.8	6%	0.061	47%	0.467	C	S	.	.			trans	-68.6	94.1	173.5	-54.7	-57.7	0	0	0	109.6	K18 M31 W32 N35 T106	K18-F20 HydrophobicContact CB-CE1 3.94Å; K18-F20 HydrophobicContact CB-CZ 3.99Å; K18-F20 PolarHBondContact O-N 3.03Å; K18-F20 VanDerWaalsContact O-N 3.15Å; F20-M31 HydrophobicContact CB-CB 3.86Å; F20-M31 HydrophobicContact CB-CE 4.44Å; F20-M31 HydrophobicContact CD1-CB 4.4Å; F20-M31 HydrophobicContact CD1-CE 4.37Å; F20-M31 HydrophobicContact CG-CB 4.17Å; F20-W32 HydrophobicContact CD2-CB 4.08Å; F20-N35 HydrophobicContact CD2-CB 4.45Å; F20-N35 HydrophobicContact CE2-CB 3.54Å; F20-N35 HydrophobicContact CZ-CB 3.61Å; F20-N35 VanDerWaalsContact CZ-CG 3.42Å; F20-N35 WeakPolarHBondContact CZ-OD1 3.32Å; F20-T106 HydrophobicContact CE1-CG2 4.07Å; F20-T106 HydrophobicContact CZ-CG2 4.46Å
21	R	70.6	Confident	68.4	Low	145 Å²	145	91.9 Å²	91.9	55%	0.547	43%	0.431	S	S	.	.			trans	-104	129.2	178.9	-69.2	175.8	173.9	126.6	-2.7	109.4	L19 N72	L19-R21 HydrophobicContact CB-CG 4.36Å; L19-R21 PolarHBondContact O-N 3.17Å; R21-N72 HydrophobicContact CG-CB 4.44Å; R21-N72 VanDerWaalsContact CZ-OD1 3.31Å; R21-N72 PolarHBondContact NE-OD1 2.75Å; R21-N72 PolarHBondContact NH2-OD1 3.3Å
22	A	75.9	Confident	71	Confident	23 Å²	23	83.6 Å²	83.6	19%	0.19	40%	0.399	C	S	.	.			trans	-133.8	162	165.8	0	0	0	0	0	109.8	E24 K27 S28 M31 Q109	A22-E24 PolarHBondContact O-N 3.17Å; A22-K27 HydrophobicContact CB-CB 3.36Å; A22-K27 HydrophobicContact CB-CD 4.12Å; A22-K27 HydrophobicContact CB-CG 4.42Å; A22-S28 PolarHBondContact N-OG 3.29Å; A22-S28 VanDerWaalsContact N-OG 3.15Å; A22-M31 HydrophobicContact CB-SD 4.15Å; A22-Q109 HydrophobicContact CB-CB 3.71Å
23	N	83	Confident	73.4	Confident	111 Å²	111	76.4 Å²	76.4	59%	0.594	36%	0.362	S	S	*	.	S	Bend	trans	-68.4	-11.8	177.8	73	-29.4	0	0	0	113.6	K27 Q109	N23-K27 PolarHBondContact OD1-NZ 3.42Å; N23-Q109 PolarHBondContact OD1-OE1 3.41Å
24	E	86.2	Confident	76.2	Confident	65 Å²	65	69.1 Å²	69.1	30%	0.304	33%	0.326	S	S	.	.	S	Bend	trans	-131.8	137.2	179.5	-76.3	175.9	-132.4	0	0	112.3	A22 L26 K27 S28 W112	A22-E24 PolarHBondContact O-N 3.17Å; E24-L26 VanDerWaalsContact C-N 3.26Å; E24-L26 PolarHBondContact O-N 3.23Å; E24-L26 VanDerWaalsContact O-N 3.14Å; E24-K27 HydrophobicContact CB-CD 4.23Å; E24-K27 HydrophobicContact CB-CG 4.31Å; E24-K27 PolarHBondContact O-N 3.39Å; E24-K27 VanDerWaalsContact O-N 3.08Å; E24-K27 IonicContact OE1-NZ 2.69Å; E24-S28 PolarHBondContact O-N 3.19Å; E24-W112 PolarHBondContact OE1-NE1 3.07Å; E24-W112 PolarHBondContact OE2-NE1 3.48Å
25	P	89.8	Confident	78.6	Confident	64 Å²	64	61.3 Å²	61.3	42%	0.416	29%	0.294	S	S	.	.	H	α-helix	trans	-46.2	-42.7	175.8	-35.5	39.6	0	0	0	115.5	K27 S28 V29 P74 V175	P25-K27 PolarHBondContact O-N 3.48Å; P25-S28 PolarHBondContact O-N 3.33Å; P25-V29 WeakPolarHBondContact O-CG2 3.44Å; P25-V29 PolarHBondContact O-N 3.44Å; P25-V29 VanDerWaalsContact O-N 3.08Å; P25-P74 HydrophobicContact CB-CG 3.84Å; P25-V175 HydrophobicContact CB-CG1 3.66Å
26	L	91.1	Very high	81.3	Confident	29 Å²	29	56.1 Å²	56.1	15%	0.152	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-40.9	-177.4	-169.9	71.5	0	0	0	111.8	E24 V29 L30 W112 L173 V175	E24-L26 VanDerWaalsContact C-N 3.26Å; E24-L26 PolarHBondContact O-N 3.23Å; E24-L26 VanDerWaalsContact O-N 3.14Å; L26-V29 PolarHBondContact O-N 3.27Å; L26-L30 PolarHBondContact O-N 3.29Å; L26-W112 HydrophobicContact CD2-CH2 4.05Å; L26-W112 HydrophobicContact CD2-CZ2 4.04Å; L26-L173 HydrophobicContact CD1-CB 3.86Å; L26-L173 HydrophobicContact CD1-CD1 3.62Å; L26-L173 HydrophobicContact CD1-CG 4.32Å; L26-L173 HydrophobicContact CG-CD1 4.01Å; L26-V175 HydrophobicContact CD1-CG2 4.25Å
27	K	92.1	Very high	83.8	Confident	4 Å²	4	46.1 Å²	46.1	2%	0.017	22%	0.224	C	C	.	.	H	α-helix	trans	-67.5	-47.2	178.4	-64.9	176.3	-174.7	177.5	0	110.9	A22 N23 E24 P25 V29 L30 M31 P110 W112 L124	A22-K27 HydrophobicContact CB-CB 3.36Å; A22-K27 HydrophobicContact CB-CD 4.12Å; A22-K27 HydrophobicContact CB-CG 4.42Å; N23-K27 PolarHBondContact OD1-NZ 3.42Å; E24-K27 HydrophobicContact CB-CD 4.23Å; E24-K27 HydrophobicContact CB-CG 4.31Å; E24-K27 PolarHBondContact O-N 3.39Å; E24-K27 VanDerWaalsContact O-N 3.08Å; E24-K27 IonicContact OE1-NZ 2.69Å; P25-K27 PolarHBondContact O-N 3.48Å; K27-V29 VanDerWaalsContact C-N 3.26Å; K27-V29 PolarHBondContact O-N 3.09Å; K27-L30 WeakPolarHBondContact O-CB 3.48Å; K27-L30 PolarHBondContact O-N 2.94Å; K27-L30 VanDerWaalsContact O-N 3.12Å; K27-M31 VanDerWaalsContact O-CG 3.24Å; K27-M31 WeakPolarHBondContact O-CG 3.3Å; K27-M31 PolarHBondContact O-N 2.94Å; K27-P110 WeakPolarHBondContact CD-O 3.48Å; K27-P110 WeakPolarHBondContact CE-O 3.25Å; K27-P110 HydrophobicContact CG-CG 4.39Å; K27-P110 PolarHBondContact NZ-O 2.65Å; K27-W112 VanDerWaalsContact CE-CD1 3.41Å; K27-W112 VanDerWaalsContact CE-NE1 3.34Å; K27-L124 HydrophobicContact CD-CD2 4.41Å; K27-L124 HydrophobicContact CG-CD2 4.19Å
28	S	91.2	Very high	85.8	Confident	5 Å²	5	40 Å²	40	4%	0.035	19%	0.191	C	C	.	.	H	α-helix	trans	-58.1	-40.7	177.3	-54.3	0	0	0	0	111.6	A22 E24 P25 W32	A22-S28 PolarHBondContact N-OG 3.29Å; A22-S28 VanDerWaalsContact N-OG 3.15Å; E24-S28 PolarHBondContact O-N 3.19Å; P25-S28 PolarHBondContact O-N 3.33Å; S28-W32 VanDerWaalsContact O-CB 3.25Å; S28-W32 WeakPolarHBondContact O-CB 3.35Å; S28-W32 PolarHBondContact O-N 3.45Å
29	V	93.7	Very high	87.3	Confident	0 Å²	0	37 Å²	37	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-69.5	-35.8	176.8	173.6	0	0	0	0	112.6	P25 L26 K27 G33 M73 P74 F77 L173 V175	P25-V29 WeakPolarHBondContact O-CG2 3.44Å; P25-V29 PolarHBondContact O-N 3.44Å; P25-V29 VanDerWaalsContact O-N 3.08Å; L26-V29 PolarHBondContact O-N 3.27Å; K27-V29 VanDerWaalsContact C-N 3.26Å; K27-V29 PolarHBondContact O-N 3.09Å; V29-G33 PolarHBondContact O-N 3Å; V29-M73 HydrophobicContact CG2-CE 3.88Å; V29-P74 HydrophobicContact CG2-CG 3.87Å; V29-F77 HydrophobicContact CB-CD2 4.37Å; V29-F77 HydrophobicContact CG1-CB 4.28Å; V29-F77 HydrophobicContact CG1-CD2 3.62Å; V29-F77 HydrophobicContact CG1-CE2 4.24Å; V29-F77 HydrophobicContact CG1-CG 4.15Å; V29-F77 HydrophobicContact CG2-CB 3.89Å; V29-F77 HydrophobicContact CG2-CD1 4.06Å; V29-F77 HydrophobicContact CG2-CD2 3.84Å; V29-F77 HydrophobicContact CG2-CE2 4.37Å; V29-F77 HydrophobicContact CG2-CG 3.66Å; V29-L173 HydrophobicContact CG1-CB 4.43Å; V29-L173 HydrophobicContact CG1-CD2 4.29Å; V29-V175 HydrophobicContact CB-CG2 4.06Å; V29-V175 HydrophobicContact CG1-CG2 4.13Å; V29-V175 HydrophobicContact CG2-CG2 3.91Å
30	L	94.9	Very high	88.7	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.3	-51.2	171.6	-177.7	60.1	0	0	0	111.6	L26 K27 G33 I34 F105 L124 Y171 L173 I182	L26-L30 PolarHBondContact O-N 3.29Å; K27-L30 WeakPolarHBondContact O-CB 3.48Å; K27-L30 PolarHBondContact O-N 2.94Å; K27-L30 VanDerWaalsContact O-N 3.12Å; L30-G33 PolarHBondContact O-N 2.84Å; L30-I34 HydrophobicContact CD1-CD1 3.8Å; L30-I34 HydrophobicContact CD1-CG1 4.23Å; L30-I34 HydrophobicContact CG-CD1 4.03Å; L30-I34 WeakPolarHBondContact O-CG1 3.43Å; L30-I34 PolarHBondContact O-N 3.21Å; L30-F105 HydrophobicContact CD2-CD1 4.47Å; L30-F105 HydrophobicContact CD2-CE1 4.38Å; L30-L124 HydrophobicContact CD2-CD1 3.88Å; L30-Y171 HydrophobicContact CD1-CD2 4.27Å; L30-L173 HydrophobicContact CB-CD1 3.86Å; L30-L173 HydrophobicContact CD1-CD1 4.32Å; L30-I182 HydrophobicContact CD1-CD1 4.31Å; L30-I182 HydrophobicContact CD2-CD1 4.08Å
31	M	94.2	Very high	89.5	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.02	18%	0.179	C	C	.	.	H	α-helix	trans	-60.2	-48.2	-179.7	-62.5	172.9	75.5	0	0	111.5	F20 A22 K27 G33 N35 F105 Q109	F20-M31 HydrophobicContact CB-CB 3.86Å; F20-M31 HydrophobicContact CB-CE 4.44Å; F20-M31 HydrophobicContact CD1-CB 4.4Å; F20-M31 HydrophobicContact CD1-CE 4.37Å; F20-M31 HydrophobicContact CG-CB 4.17Å; A22-M31 HydrophobicContact CB-SD 4.15Å; K27-M31 VanDerWaalsContact O-CG 3.24Å; K27-M31 WeakPolarHBondContact O-CG 3.3Å; K27-M31 PolarHBondContact O-N 2.94Å; M31-G33 VanDerWaalsContact C-N 3.34Å; M31-G33 PolarHBondContact O-N 3.07Å; M31-N35 WeakPolarHBondContact O-CB 3.42Å; M31-N35 PolarHBondContact O-N 3.31Å; M31-N35 VanDerWaalsContact O-N 3.09Å; M31-F105 WeakPolarHBondContact CG-O 3.37Å; M31-Q109 HydrophobicContact SD-CB 4.11Å
32	W	93.1	Very high	90	Very high	59 Å²	59	32.1 Å²	32.1	22%	0.223	18%	0.175	C	C	.	.	H	α-helix	trans	-61.9	-41.6	176.4	179.1	94.2	0	0	0	111.9	F20 S28 N35 Y36 V61 V63 M73 F77 F79	F20-W32 HydrophobicContact CD2-CB 4.08Å; S28-W32 VanDerWaalsContact O-CB 3.25Å; S28-W32 WeakPolarHBondContact O-CB 3.35Å; S28-W32 PolarHBondContact O-N 3.45Å; W32-N35 PolarHBondContact O-N 3.03Å; W32-Y36 HydrophobicContact CH2-CD2 4.04Å; W32-Y36 AromaticContact CH2-CG 3.94Å; W32-Y36 HydrophobicContact CH2-CG 3.94Å; W32-Y36 HydrophobicContact CZ2-CD2 4.31Å; W32-Y36 HydrophobicContact CZ2-CG 4.49Å; W32-Y36 HydrophobicContact CZ3-CG 4.21Å; W32-Y36 WeakPolarHBondContact O-CB 3.31Å; W32-Y36 PolarHBondContact O-N 3.01Å; W32-V61 HydrophobicContact CH2-CG1 3.82Å; W32-V61 HydrophobicContact CH2-CG2 4.17Å; W32-V61 HydrophobicContact CZ3-CG1 3.67Å; W32-V63 HydrophobicContact CH2-CG2 3.63Å; W32-V63 HydrophobicContact CZ2-CG2 3.98Å; W32-V63 HydrophobicContact CZ3-CG2 4.23Å; W32-M73 HydrophobicContact CB-CE 3.59Å; W32-M73 HydrophobicContact CB-SD 4.19Å; W32-M73 HydrophobicContact CD2-CE 4.24Å; W32-M73 HydrophobicContact CG-CE 3.66Å; W32-F77 HydrophobicContact CD2-CE2 4.03Å; W32-F77 AromaticContact CD2-CZ 3.99Å; W32-F77 HydrophobicContact CD2-CZ 3.99Å; W32-F77 AromaticContact CE3-CE2 3.51Å; W32-F77 HydrophobicContact CE3-CE2 3.51Å; W32-F77 AromaticContact CE3-CZ 3.96Å; W32-F77 HydrophobicContact CE3-CZ 3.96Å; W32-F77 HydrophobicContact CH2-CE2 4.23Å; W32-F77 HydrophobicContact CH2-CZ 4.48Å; W32-F77 HydrophobicContact CZ2-CZ 4.47Å; W32-F77 AromaticContact CZ3-CE2 3.65Å; W32-F77 HydrophobicContact CZ3-CE2 3.65Å; W32-F77 HydrophobicContact CZ3-CZ 4.23Å; W32-F79 HydrophobicContact CZ3-CB 4.39Å
33	G	94.7	Very high	90.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.4	-43.3	-177.8	0	0	0	0	0	113.4	V29 L30 M31 N35 Y36 S37 F79	V29-G33 PolarHBondContact O-N 3Å; L30-G33 PolarHBondContact O-N 2.84Å; M31-G33 VanDerWaalsContact C-N 3.34Å; M31-G33 PolarHBondContact O-N 3.07Å; G33-N35 VanDerWaalsContact C-N 3.32Å; G33-N35 PolarHBondContact O-N 3.35Å; G33-Y36 PolarHBondContact O-N 3.44Å; G33-S37 WeakPolarHBondContact O-CB 3.42Å; G33-S37 PolarHBondContact O-N 3.36Å; G33-F79 VanDerWaalsContact CA-CD2 3.47Å; G33-F79 VanDerWaalsContact CA-CE2 3.49Å; G33-F79 WeakPolarHBondContact O-CE1 3.34Å; G33-F79 WeakPolarHBondContact O-CZ 3.38Å
34	I	94.8	Very high	90	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-42.6	172.2	-69.9	172.3	0	0	0	110.1	L30 S37 F38 Y101 F105 Y171	L30-I34 HydrophobicContact CD1-CD1 3.8Å; L30-I34 HydrophobicContact CD1-CG1 4.23Å; L30-I34 HydrophobicContact CG-CD1 4.03Å; L30-I34 WeakPolarHBondContact O-CG1 3.43Å; L30-I34 PolarHBondContact O-N 3.21Å; I34-S37 PolarHBondContact O-N 3.29Å; I34-F38 HydrophobicContact CG2-CD2 4.15Å; I34-F38 HydrophobicContact CG2-CE2 4.14Å; I34-F38 VanDerWaalsContact O-CD2 3.23Å; I34-F38 WeakPolarHBondContact O-CD2 3.45Å; I34-F38 PolarHBondContact O-N 3.28Å; I34-Y101 HydrophobicContact CG2-CE1 4.17Å; I34-F105 HydrophobicContact CD1-CB 3.89Å; I34-F105 HydrophobicContact CD1-CD1 3.63Å; I34-F105 HydrophobicContact CD1-CD2 3.94Å; I34-F105 HydrophobicContact CD1-CE1 4.15Å; I34-F105 HydrophobicContact CD1-CE2 4.43Å; I34-F105 HydrophobicContact CD1-CG 3.52Å; I34-F105 HydrophobicContact CG2-CB 4.33Å; I34-Y171 HydrophobicContact CD1-CE2 4.4Å; I34-Y171 HydrophobicContact CG1-CE1 4.45Å; I34-Y171 HydrophobicContact CG1-CE2 4.36Å
35	N	93.7	Very high	89.6	Confident	30 Å²	30	41.6 Å²	41.6	16%	0.16	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-47.1	174.7	179.1	84.9	0	0	0	112.5	F20 M31 W32 G33 F38 S39 W102 T106	F20-N35 HydrophobicContact CD2-CB 4.45Å; F20-N35 HydrophobicContact CE2-CB 3.54Å; F20-N35 HydrophobicContact CZ-CB 3.61Å; F20-N35 VanDerWaalsContact CZ-CG 3.42Å; F20-N35 WeakPolarHBondContact CZ-OD1 3.32Å; M31-N35 WeakPolarHBondContact O-CB 3.42Å; M31-N35 PolarHBondContact O-N 3.31Å; M31-N35 VanDerWaalsContact O-N 3.09Å; W32-N35 PolarHBondContact O-N 3.03Å; G33-N35 VanDerWaalsContact C-N 3.32Å; G33-N35 PolarHBondContact O-N 3.35Å; N35-F38 PolarHBondContact O-N 3.05Å; N35-S39 PolarHBondContact O-N 2.96Å; N35-S39 PolarHBondContact O-OG 3.39Å; N35-W102 WeakPolarHBondContact OD1-CZ2 3.45Å; N35-W102 PolarHBondContact OD1-NE1 3.23Å; N35-T106 HydrophobicContact CB-CG2 4.16Å
36	Y	92.5	Very high	88.8	Confident	69 Å²	69	43.6 Å²	43.6	27%	0.271	22%	0.215	S	C	.	.	H	α-helix	trans	-60	-45.5	177.4	174.7	-95.8	0	0	0	111.8	W32 G33 F38 S39 A40 M59 V61	W32-Y36 HydrophobicContact CH2-CD2 4.04Å; W32-Y36 AromaticContact CH2-CG 3.94Å; W32-Y36 HydrophobicContact CH2-CG 3.94Å; W32-Y36 HydrophobicContact CZ2-CD2 4.31Å; W32-Y36 HydrophobicContact CZ2-CG 4.49Å; W32-Y36 HydrophobicContact CZ3-CG 4.21Å; W32-Y36 WeakPolarHBondContact O-CB 3.31Å; W32-Y36 PolarHBondContact O-N 3.01Å; G33-Y36 PolarHBondContact O-N 3.44Å; Y36-F38 VanDerWaalsContact C-N 3.34Å; Y36-F38 PolarHBondContact O-N 3.28Å; Y36-S39 WeakPolarHBondContact O-CB 3.44Å; Y36-S39 PolarHBondContact O-N 3.36Å; Y36-A40 PolarHBondContact O-N 3.39Å; Y36-M59 HydrophobicContact CE1-CG 4.41Å; Y36-M59 HydrophobicContact CE1-SD 4.12Å; Y36-V61 HydrophobicContact CD1-CB 4.45Å; Y36-V61 HydrophobicContact CD1-CG1 3.88Å; Y36-V61 HydrophobicContact CE1-CB 3.87Å; Y36-V61 HydrophobicContact CE1-CG1 3.79Å; Y36-V61 HydrophobicContact CE1-CG2 4.35Å
37	S	93.4	Very high	88.3	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-54.4	-50.1	175.2	157	0	0	0	0	111.6	G33 I34 S39 A40 L41 E81	G33-S37 WeakPolarHBondContact O-CB 3.42Å; G33-S37 PolarHBondContact O-N 3.36Å; I34-S37 PolarHBondContact O-N 3.29Å; S37-S39 VanDerWaalsContact C-N 3.33Å; S37-S39 PolarHBondContact O-N 3.26Å; S37-A40 PolarHBondContact O-N 3.46Å; S37-L41 WeakPolarHBondContact O-CB 3.46Å; S37-L41 VanDerWaalsContact O-CG 3.31Å; S37-L41 WeakPolarHBondContact O-CG 3.34Å; S37-L41 PolarHBondContact O-N 2.96Å; S37-E81 VanDerWaalsContact CB-OE2 3.24Å; S37-E81 WeakPolarHBondContact CB-OE2 3.44Å; S37-E81 PolarHBondContact OG-OE1 3.1Å; S37-E81 PolarHBondContact OG-OE2 3.28Å
38	F	91.2	Very high	87.7	Confident	13 Å²	13	52.3 Å²	52.3	6%	0.057	27%	0.269	C	S	.	.	H	α-helix	trans	-66.1	-35.9	-179.2	-84.9	-121.3	0	0	0	111.9	I34 N35 Y36 N42 K98 Y101 W102	I34-F38 HydrophobicContact CG2-CD2 4.15Å; I34-F38 HydrophobicContact CG2-CE2 4.14Å; I34-F38 VanDerWaalsContact O-CD2 3.23Å; I34-F38 WeakPolarHBondContact O-CD2 3.45Å; I34-F38 PolarHBondContact O-N 3.28Å; N35-F38 PolarHBondContact O-N 3.05Å; Y36-F38 VanDerWaalsContact C-N 3.34Å; Y36-F38 PolarHBondContact O-N 3.28Å; F38-N42 PolarHBondContact O-N 2.85Å; F38-N42 PolarHBondContact O-ND2 2.83Å; F38-N42 PolarHBondContact O-OD1 2.63Å; F38-K98 HydrophobicContact CD1-CG 3.74Å; F38-K98 HydrophobicContact CE1-CB 4.38Å; F38-K98 HydrophobicContact CE1-CG 3.55Å; F38-K98 VanDerWaalsContact CE1-O 3.26Å; F38-K98 WeakPolarHBondContact CE1-O 3.36Å; F38-Y101 HydrophobicContact CE1-CD1 4.28Å; F38-Y101 AromaticContact CE2-CD1 3.81Å; F38-Y101 HydrophobicContact CE2-CD1 3.81Å; F38-Y101 AromaticContact CE2-CE1 3.95Å; F38-Y101 HydrophobicContact CE2-CE1 3.95Å; F38-Y101 AromaticContact CZ-CD1 3.37Å; F38-Y101 HydrophobicContact CZ-CD1 3.37Å; F38-Y101 AromaticContact CZ-CE1 3.95Å; F38-Y101 HydrophobicContact CZ-CE1 3.95Å; F38-Y101 HydrophobicContact CZ-CG 4.25Å; F38-W102 HydrophobicContact CD1-CB 3.87Å; F38-W102 HydrophobicContact CD1-CG 4.35Å; F38-W102 HydrophobicContact CE1-CB 4.01Å; F38-W102 HydrophobicContact CG-CB 4.5Å
39	S	88.9	Confident	87.4	Confident	55 Å²	55	58.7 Å²	58.7	39%	0.385	30%	0.302	S	S	.	.	H	α-helix	trans	-61.5	-49.7	171.1	-66.4	0	0	0	0	111.9	N35 Y36 S37 N42 H43	N35-S39 PolarHBondContact O-N 2.96Å; N35-S39 PolarHBondContact O-OG 3.39Å; Y36-S39 WeakPolarHBondContact O-CB 3.44Å; Y36-S39 PolarHBondContact O-N 3.36Å; S37-S39 VanDerWaalsContact C-N 3.33Å; S37-S39 PolarHBondContact O-N 3.26Å; S39-N42 WeakPolarHBondContact O-CB 3.45Å; S39-N42 PolarHBondContact O-N 3.49Å; S39-H43 PolarHBondContact O-CD2 2.94Å
40	A	88.6	Confident	87.3	Confident	31 Å²	31	60.4 Å²	60.4	26%	0.256	31%	0.311	S	S	.	.	H	α-helix	trans	-62.3	-45.6	-179.8	0	0	0	0	0	112.5	Y36 S37 N42 H43 M59	Y36-A40 PolarHBondContact O-N 3.39Å; S37-A40 PolarHBondContact O-N 3.46Å; A40-N42 PolarHBondContact O-N 2.94Å; A40-H43 PolarHBondContact O-N 3.41Å; A40-M59 HydrophobicContact CB-SD 3.61Å
41	L	85.9	Confident	87.2	Confident	25 Å²	25	64.5 Å²	64.5	13%	0.131	33%	0.333	C	S	.	.	H	α-helix	trans	-67.5	-17.7	-178.8	-67.6	173.8	0	0	0	113.8	S37 H43 V44 M59 P84 M85	S37-L41 WeakPolarHBondContact O-CB 3.46Å; S37-L41 VanDerWaalsContact O-CG 3.31Å; S37-L41 WeakPolarHBondContact O-CG 3.34Å; S37-L41 PolarHBondContact O-N 2.96Å; L41-H43 PolarHBondContact O-N 2.94Å; L41-V44 HydrophobicContact CD2-CG2 4.33Å; L41-V44 PolarHBondContact O-N 2.8Å; L41-M59 HydrophobicContact CG-CE 4.38Å; L41-P84 HydrophobicContact CD1-CB 4.18Å; L41-P84 HydrophobicContact CD2-CB 4.08Å; L41-M85 HydrophobicContact CD2-SD 4.03Å
42	N	80.6	Confident	87.1	Confident	87 Å²	87	71.4 Å²	71.4	47%	0.465	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-24	174.2	-67	-25.4	0	0	0	113.5	F38 S39 A40 K98	F38-N42 PolarHBondContact O-N 2.85Å; F38-N42 PolarHBondContact O-ND2 2.83Å; F38-N42 PolarHBondContact O-OD1 2.63Å; S39-N42 WeakPolarHBondContact O-CB 3.45Å; S39-N42 PolarHBondContact O-N 3.49Å; A40-N42 PolarHBondContact O-N 2.94Å; N42-K98 WeakPolarHBondContact OD1-CE 3.32Å; N42-K98 PolarHBondContact OD1-NZ 3.01Å
43	H	79	Confident	87.2	Confident	164 Å²	164	73.8 Å²	73.8	76%	0.759	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-7.9	-179.4	-57.7	-70.5	0	0	0	112.5	S39 A40 L41	S39-H43 PolarHBondContact O-CD2 2.94Å; A40-H43 PolarHBondContact O-N 3.41Å; L41-H43 PolarHBondContact O-N 2.94Å
44	V	81.5	Confident	87.2	Confident	47 Å²	47	74.4 Å²	74.4	29%	0.285	38%	0.383	S	S	.	.	S	Bend	trans	-84.3	120.6	179	-177	0	0	0	0	109.7	L41 Q46 M85 I459	L41-V44 HydrophobicContact CD2-CG2 4.33Å; L41-V44 PolarHBondContact O-N 2.8Å; V44-Q46 PolarHBondContact O-N 3.25Å; V44-M85 HydrophobicContact CG1-CE 4.16Å; V44-M85 HydrophobicContact CG1-SD 3.99Å; V44-I459 HydrophobicContact CG2-CD1 3.97Å
45	K	77.6	Confident	87.3	Confident	188 Å²	188	75.6 Å²	75.6	82%	0.817	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-61.4	121.3	175.2	-175	177	-179.3	179.2	0	110	R47	K45-R47 PolarHBondContact O-N 2.85Å
46	Q	73	Confident	87.4	Confident	105 Å²	105	81.9 Å²	81.9	49%	0.491	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-58.9	122.1	176.4	-176.2	65.2	40.9	0	0	110.3	V44 K88	V44-Q46 PolarHBondContact O-N 3.25Å; Q46-K88 VanDerWaalsContact OE1-CE 3.22Å
47	R	80.4	Confident	87.6	Confident	109 Å²	109	80.4 Å²	80.4	41%	0.411	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-91.7	150.8	170.7	-62.6	-173	-60.8	-144.8	-5.7	109.8	K45 D54	K45-R47 PolarHBondContact O-N 2.85Å; R47-D54 IonicContact CZ-OD1 3.84Å; R47-D54 IonicContact CZ-OD2 3.8Å; R47-D54 IonicContact NH2-OD1 2.63Å; R47-D54 PolarHBondContact NH2-OD1 3.1Å; R47-D54 IonicContact NH2-OD2 2.74Å; R47-D54 PolarHBondContact NH2-OD2 2.87Å
48	A	78.3	Confident	87.7	Confident	107 Å²	107	83.6 Å²	83.6	88%	0.884	43%	0.429	S	S	*	.	S	Bend	trans	-74.5	-28.9	179.9	0	0	0	0	0	113.2
49	L	86.2	Confident	87.9	Confident	139 Å²	139	84.4 Å²	84.4	73%	0.728	43%	0.433	S	S	*	.	S	Bend	trans	-127.4	149.4	178.4	-62.3	175.1	0	0	0	109.8
50	L	91.5	Very high	88.3	Confident	36 Å²	36	87.1 Å²	87.1	19%	0.188	44%	0.438	C	S	.	.			trans	-79.8	143.2	167.3	-63	178	0	0	0	109.3	D54 F55 M85 V86 Y152	L50-D54 WeakPolarHBondContact CA-OD2 3.46Å; L50-D54 HydrophobicContact CD2-CB 4.45Å; L50-F55 HydrophobicContact CB-CE2 4.17Å; L50-F55 HydrophobicContact CD1-CE2 4.35Å; L50-F55 HydrophobicContact CD1-CZ 4.07Å; L50-M85 HydrophobicContact CD2-CB 4.04Å; L50-V86 HydrophobicContact CD1-CB 4.32Å; L50-V86 HydrophobicContact CD1-CG1 4.22Å; L50-V86 HydrophobicContact CD1-CG2 4.18Å; L50-Y152 HydrophobicContact CD1-CD1 4.26Å; L50-Y152 HydrophobicContact CD1-CD2 4.06Å; L50-Y152 HydrophobicContact CD1-CE1 3.78Å; L50-Y152 HydrophobicContact CD1-CE2 3.56Å; L50-Y152 HydrophobicContact CD1-CG 4.39Å; L50-Y152 VanDerWaalsContact CD1-CZ 3.41Å
51	L	92.5	Very high	88.5	Confident	87 Å²	87	86.9 Å²	86.9	46%	0.455	43%	0.433	S	S	.	.			trans	-95	159.7	172	-58.7	-179.5	0	0	0	109.8	D53 D54 F55	L51-D53 PolarHBondContact O-N 3.49Å; L51-D54 PolarHBondContact N-OD2 3.45Å; L51-D54 VanDerWaalsContact O-CB 3.29Å; L51-D54 WeakPolarHBondContact O-CB 3.36Å; L51-D54 PolarHBondContact O-N 3.25Å; L51-F55 WeakPolarHBondContact O-CD2 3.02Å
52	K	92.8	Very high	88.9	Confident	148 Å²	148	91.6 Å²	91.6	64%	0.643	45%	0.453	S	S	*	.	G	3₁₀ helix	trans	-57.7	-32.7	176.1	-72	-164.1	166.4	-160.2	0	112.7	D54 F55 E149	K52-D54 PolarHBondContact O-N 3.18Å; K52-F55 PolarHBondContact O-N 3.19Å; K52-E149 WeakPolarHBondContact CE-OE1 3.09Å; K52-E149 IonicContact NZ-OE1 2.76Å
53	D	94.2	Very high	89.3	Confident	110 Å²	110	88.4 Å²	88.4	59%	0.588	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-67.2	-23.6	177.8	-53.1	-41	0	0	0	112.6	L51 F55 K56 A57	L51-D53 PolarHBondContact O-N 3.49Å; D53-F55 PolarHBondContact O-N 3.49Å; D53-K56 CarbonylContact O-C 3.57Å; D53-K56 PolarHBondContact O-N 3.11Å; D53-A57 WeakPolarHBondContact O-CB 3.31Å; D53-A57 PolarHBondContact O-N 3.19Å
54	D	95.4	Very high	89.6	Confident	12 Å²	12	84.5 Å²	84.5	6%	0.064	42%	0.421	C	S	.	.	G	3₁₀ helix	trans	-65	-25.7	176.9	-64.6	-29.8	0	0	0	112.3	R47 L50 L51 K52 K56 C83 M85 V86	R47-D54 IonicContact CZ-OD1 3.84Å; R47-D54 IonicContact CZ-OD2 3.8Å; R47-D54 IonicContact NH2-OD1 2.63Å; R47-D54 PolarHBondContact NH2-OD1 3.1Å; R47-D54 IonicContact NH2-OD2 2.74Å; R47-D54 PolarHBondContact NH2-OD2 2.87Å; L50-D54 WeakPolarHBondContact CA-OD2 3.46Å; L50-D54 HydrophobicContact CD2-CB 4.45Å; L51-D54 PolarHBondContact N-OD2 3.45Å; L51-D54 VanDerWaalsContact O-CB 3.29Å; L51-D54 WeakPolarHBondContact O-CB 3.36Å; L51-D54 PolarHBondContact O-N 3.25Å; K52-D54 PolarHBondContact O-N 3.18Å; D54-K56 VanDerWaalsContact C-N 3.29Å; D54-C83 WeakPolarHBondContact O-CA 3.18Å; D54-C83 WeakPolarHBondContact O-CB 3.04Å; D54-M85 HydrophobicContact CB-CB 4.39Å; D54-V86 HydrophobicContact CB-CG2 4.03Å; D54-V86 WeakPolarHBondContact O-CG2 3.43Å
55	F	96.7	Very high	89.3	Confident	25 Å²	25	84 Å²	84	11%	0.11	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-79.5	-9.4	175.4	-64.9	-92.5	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 4.35Å; L50-F55 HydrophobicContact CD1-CZ 4.07Å; L51-F55 WeakPolarHBondContact O-CD2 3.02Å; K52-F55 PolarHBondContact O-N 3.19Å; D53-F55 PolarHBondContact O-N 3.49Å; F55-C83 VanDerWaalsContact C-SG 3.57Å; F55-C83 PolarHBondContact O-SG 3.33Å; F55-V86 HydrophobicContact CD1-CG1 4.15Å; F55-V86 HydrophobicContact CD1-CG2 3.92Å; F55-V86 HydrophobicContact CD2-CG2 4.29Å; F55-V86 HydrophobicContact CE1-CB 4.49Å; F55-V86 HydrophobicContact CE1-CG1 3.63Å; F55-V86 HydrophobicContact CE1-CG2 3.97Å; F55-V86 HydrophobicContact CE2-CG2 4.35Å; F55-V86 HydrophobicContact CG-CG2 4.07Å; F55-V86 HydrophobicContact CZ-CG1 4.16Å; F55-V86 HydrophobicContact CZ-CG2 4.19Å; F55-L148 HydrophobicContact CD1-CB 4.29Å; F55-L148 HydrophobicContact CD1-CD2 3.96Å; F55-L148 HydrophobicContact CD1-CG 3.79Å; F55-L148 HydrophobicContact CE1-CG 4.14Å; F55-E149 HydrophobicContact CD1-CB 4.06Å; F55-E149 HydrophobicContact CE1-CB 4.18Å; F55-E149 HydrophobicContact CE1-CG 4.45Å; F55-E149 HydrophobicContact CG-CB 4.49Å; F55-E149 HydrophobicContact CZ-CG 4.46Å; F55-Y152 HydrophobicContact CE1-CD1 4.48Å; F55-Y152 HydrophobicContact CE1-CG 4.23Å; F55-Y152 AromaticContact CZ-CD1 3.86Å; F55-Y152 HydrophobicContact CZ-CD1 3.86Å; F55-Y152 HydrophobicContact CZ-CG 4.02Å
56	K	95.8	Very high	88.5	Confident	162 Å²	162	82.7 Å²	82.7	70%	0.704	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-22.6	173.8	-61.4	-179.5	-178.2	177.3	0	112.8	D53 D54	D53-K56 CarbonylContact O-C 3.57Å; D53-K56 PolarHBondContact O-N 3.11Å; D54-K56 VanDerWaalsContact C-N 3.29Å
57	A	95.8	Very high	87.9	Confident	39 Å²	39	83.9 Å²	83.9	32%	0.322	42%	0.418	S	S	.	.			trans	-57.6	150.9	-178.7	0	0	0	0	0	112.7	D53 C83	D53-A57 WeakPolarHBondContact O-CB 3.31Å; D53-A57 PolarHBondContact O-N 3.19Å; A57-C83 WeakPolarHBondContact O-CA 3.33Å; A57-C83 PolarHBondContact O-N 2.9Å
58	Y	96.4	Very high	86.7	Confident	67 Å²	67	85.6 Å²	85.6	26%	0.263	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	159.1	173	59.7	-99.1	0	0	0	111	K60 K80 E81	Y58-K60 HydrophobicContact CD2-CB 4.05Å; Y58-K60 HydrophobicContact CE2-CB 4.23Å; Y58-K60 HydrophobicContact CE2-CD 4.43Å; Y58-K80 HydrophobicContact CD2-CD 4.37Å; Y58-K80 HydrophobicContact CG-CD 4.43Å; Y58-E81 CarbonylContact C-O 3.56Å; Y58-E81 VanDerWaalsContact CA-O 3.28Å; Y58-E81 WeakPolarHBondContact CA-O 3.11Å; Y58-E81 WeakPolarHBondContact CB-O 3.19Å
59	M	95.7	Very high	85.9	Confident	30 Å²	30	83 Å²	83	15%	0.148	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.6	170	172.1	169.1	45.6	0	0	108.1	Y36 A40 L41 K80 E81	Y36-M59 HydrophobicContact CE1-CG 4.41Å; Y36-M59 HydrophobicContact CE1-SD 4.12Å; A40-M59 HydrophobicContact CB-SD 3.61Å; L41-M59 HydrophobicContact CG-CE 4.38Å; M59-K80 CarbonylContact O-C 3.58Å; M59-K80 WeakPolarHBondContact O-CA 3.18Å; M59-E81 HydrophobicContact CE-CB 4.35Å; M59-E81 WeakPolarHBondContact CE-OE2 3.29Å; M59-E81 PolarHBondContact N-O 3.47Å; M59-E81 PolarHBondContact O-N 3.05Å
60	K	95.9	Very high	84.9	Confident	112 Å²	112	81.7 Å²	81.7	49%	0.487	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	125.9	-174.1	177.7	-175.2	172.9	-169.2	0	109.9	Y58 F79 K80	Y58-K60 HydrophobicContact CD2-CB 4.05Å; Y58-K60 HydrophobicContact CE2-CB 4.23Å; Y58-K60 HydrophobicContact CE2-CD 4.43Å; K60-F79 CarbonylContact C-O 3.57Å; K60-F79 WeakPolarHBondContact CA-O 3.49Å; K60-K80 HydrophobicContact CB-CB 4.42Å; K60-K80 HydrophobicContact CB-CG 4.34Å; K60-K80 HydrophobicContact CG-CB 4.5Å
61	V	94.1	Very high	83.6	Confident	25 Å²	25	88.8 Å²	88.8	15%	0.152	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140	176.3	63.1	0	0	0	0	110.4	W32 Y36 V63 K78 F79	W32-V61 HydrophobicContact CH2-CG1 3.82Å; W32-V61 HydrophobicContact CH2-CG2 4.17Å; W32-V61 HydrophobicContact CZ3-CG1 3.67Å; Y36-V61 HydrophobicContact CD1-CB 4.45Å; Y36-V61 HydrophobicContact CD1-CG1 3.88Å; Y36-V61 HydrophobicContact CE1-CB 3.87Å; Y36-V61 HydrophobicContact CE1-CG1 3.79Å; Y36-V61 HydrophobicContact CE1-CG2 4.35Å; V61-V63 HydrophobicContact CG2-CG2 4.25Å; V61-K78 WeakPolarHBondContact O-CA 3.46Å; V61-F79 HydrophobicContact CG1-CB 3.87Å; V61-F79 HydrophobicContact CG1-CD1 4.21Å; V61-F79 PolarHBondContact N-O 3.06Å; V61-F79 PolarHBondContact O-N 3.5Å
62	K	93.6	Very high	82.4	Confident	125 Å²	125	85.9 Å²	85.9	54%	0.543	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	118.5	178.7	177.4	-177.1	-178.6	-173.4	0	108.3	K78	K62-K78 HydrophobicContact CB-CG 4.5Å; K62-K78 HydrophobicContact CG-CG 4.29Å
63	V	89.1	Confident	81.9	Confident	20 Å²	20	79.4 Å²	79.4	12%	0.121	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	126.2	-176.6	179.9	0	0	0	0	109.2	W32 V61 N65 R76 F77	W32-V63 HydrophobicContact CH2-CG2 3.63Å; W32-V63 HydrophobicContact CZ2-CG2 3.98Å; W32-V63 HydrophobicContact CZ3-CG2 4.23Å; V61-V63 HydrophobicContact CG2-CG2 4.25Å; V63-N65 VanDerWaalsContact CG1-CG 3.47Å; V63-N65 WeakPolarHBondContact CG1-ND2 3.29Å; V63-N65 VanDerWaalsContact CG1-OD1 3.26Å; V63-N65 WeakPolarHBondContact CG1-OD1 3.4Å; V63-R76 WeakPolarHBondContact O-CA 3.21Å; V63-F77 HydrophobicContact CB-CD1 4.1Å; V63-F77 HydrophobicContact CB-CD2 4.27Å; V63-F77 HydrophobicContact CB-CE1 3.64Å; V63-F77 HydrophobicContact CB-CE2 3.82Å; V63-F77 HydrophobicContact CB-CG 4.4Å; V63-F77 HydrophobicContact CB-CZ 3.49Å; V63-F77 VanDerWaalsContact CB-CZ 3.49Å; V63-F77 HydrophobicContact CG1-CD1 4.36Å; V63-F77 HydrophobicContact CG1-CE1 3.59Å; V63-F77 HydrophobicContact CG1-CZ 3.69Å; V63-F77 HydrophobicContact CG2-CD2 4.39Å; V63-F77 HydrophobicContact CG2-CE1 4.22Å; V63-F77 HydrophobicContact CG2-CE2 3.63Å; V63-F77 HydrophobicContact CG2-CZ 3.54Å; V63-F77 PolarHBondContact N-O 3.42Å; V63-F77 PolarHBondContact O-N 2.84Å; V63-F77 VanDerWaalsContact O-N 3.14Å
64	N	85.5	Confident	81.4	Confident	81 Å²	81	75 Å²	75	43%	0.433	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	78.7	178.6	-60.6	-53.3	0	0	0	109.5	H66 S75 R76	N64-H66 VanDerWaalsContact C-N 3.34Å; N64-H66 PolarHBondContact O-N 3.38Å; N64-S75 CarbonylContact C-O 3.54Å; N64-R76 PolarHBondContact OD1-NE 3.28Å
65	N	75.2	Confident	80.8	Confident	37 Å²	37	76.8 Å²	76.8	20%	0.198	37%	0.369	C	S	.	.			trans	-83	73.8	-177	-70.9	-19.2	0	0	0	111.5	V63 H67 F68 S75	V63-N65 VanDerWaalsContact CG1-CG 3.47Å; V63-N65 WeakPolarHBondContact CG1-ND2 3.29Å; V63-N65 VanDerWaalsContact CG1-OD1 3.26Å; V63-N65 WeakPolarHBondContact CG1-OD1 3.4Å; N65-H67 PolarHBondContact O-N 2.69Å; N65-H67 VanDerWaalsContact O-N 3.08Å; N65-F68 HydrophobicContact CB-CB 4.5Å; N65-F68 WeakPolarHBondContact CB-O 3.36Å; N65-S75 PolarHBondContact N-O 3.26Å
66	H	61.1	Low	80.4	Confident	160 Å²	160	81.9 Å²	81.9	74%	0.741	39%	0.388	S	S	*	.	S	Bend	trans	-66.2	109.7	174.5	-166.9	-115.5	0	0	0	110.2	N64 F68	N64-H66 VanDerWaalsContact C-N 3.34Å; N64-H66 PolarHBondContact O-N 3.38Å; H66-F68 PolarHBondContact O-N 3Å; H66-F68 VanDerWaalsContact O-N 3.15Å
67	H	59.1	Low	80.3	Confident	130 Å²	130	74.2 Å²	74.2	60%	0.602	35%	0.354	S	S	*	.	S	Bend	trans	63.7	9	179.6	-64.1	83.3	0	0	0	117	N65 K70	N65-H67 PolarHBondContact O-N 2.69Å; N65-H67 VanDerWaalsContact O-N 3.08Å; H67-K70 PolarHBondContact CD2-NZ 3.31Å; H67-K70 PolarHBondContact NE2-NZ 3.14Å; H67-K70 VanDerWaalsContact NE2-NZ 3.17Å
68	F	55.2	Low	80.3	Confident	146 Å²	146	75.2 Å²	75.2	64%	0.64	35%	0.352	S	S	*	.	S	Bend	trans	-107.9	137.3	173.7	-171.5	-109.3	0	0	0	111.2	N65 H66 K70	N65-F68 HydrophobicContact CB-CB 4.5Å; N65-F68 WeakPolarHBondContact CB-O 3.36Å; H66-F68 PolarHBondContact O-N 3Å; H66-F68 VanDerWaalsContact O-N 3.15Å; F68-K70 PolarHBondContact O-N 3.06Å
69	N	62.1	Low	80.3	Confident	52 Å²	52	72 Å²	72	28%	0.278	34%	0.339	S	S	.	.	S	Bend	trans	55.7	21.6	170.2	-155.8	30.9	0	0	0	117	E71 N72 M73	N69-E71 PolarHBondContact O-N 2.98Å; N69-E71 VanDerWaalsContact O-N 3.1Å; N69-N72 PolarHBondContact O-N 3.05Å; N69-N72 WeakPolarHBondContact OD1-CB 3.35Å; N69-N72 PolarHBondContact OD1-ND2 2.85Å; N69-M73 PolarHBondContact O-N 2.96Å
70	K	65.1	Low	80.5	Confident	111 Å²	111	72 Å²	72	48%	0.483	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-30.1	-175.9	-72.7	-168.6	173	173.5	0	114.4	H67 F68 N72	H67-K70 PolarHBondContact CD2-NZ 3.31Å; H67-K70 PolarHBondContact NE2-NZ 3.14Å; H67-K70 VanDerWaalsContact NE2-NZ 3.17Å; F68-K70 PolarHBondContact O-N 3.06Å; K70-N72 VanDerWaalsContact C-N 3.31Å; K70-N72 PolarHBondContact O-N 3.26Å
71	E	64.8	Low	80.6	Confident	185 Å²	185	66.6 Å²	66.6	86%	0.864	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-22.8	179.7	-65.1	167.9	-165.1	0	0	113.6	N69	N69-E71 PolarHBondContact O-N 2.98Å; N69-E71 VanDerWaalsContact O-N 3.1Å
72	N	67.4	Low	80.8	Confident	26 Å²	26	66.5 Å²	66.5	14%	0.139	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-26.6	-169.4	-48	-78.3	0	0	0	112.9	L19 R21 N69 K70	L19-N72 HydrophobicContact CD2-CB 3.95Å; R21-N72 HydrophobicContact CG-CB 4.44Å; R21-N72 VanDerWaalsContact CZ-OD1 3.31Å; R21-N72 PolarHBondContact NE-OD1 2.75Å; R21-N72 PolarHBondContact NH2-OD1 3.3Å; N69-N72 PolarHBondContact O-N 3.05Å; N69-N72 WeakPolarHBondContact OD1-CB 3.35Å; N69-N72 PolarHBondContact OD1-ND2 2.85Å; K70-N72 VanDerWaalsContact C-N 3.31Å; K70-N72 PolarHBondContact O-N 3.26Å
73	M	81.5	Confident	80.9	Confident	12 Å²	12	60.6 Å²	60.6	6%	0.059	29%	0.286	C	S	.	.	S	Bend	trans	-136.7	148.1	-179.9	-70.9	-65.4	-69.5	0	0	111.1	V29 W32 N69 F77	V29-M73 HydrophobicContact CG2-CE 3.88Å; W32-M73 HydrophobicContact CB-CE 3.59Å; W32-M73 HydrophobicContact CB-SD 4.19Å; W32-M73 HydrophobicContact CD2-CE 4.24Å; W32-M73 HydrophobicContact CG-CE 3.66Å; N69-M73 PolarHBondContact O-N 2.96Å; M73-F77 HydrophobicContact CB-CE1 4.36Å; M73-F77 HydrophobicContact CE-CD1 4.24Å; M73-F77 HydrophobicContact CE-CE1 3.47Å; M73-F77 VanDerWaalsContact CE-CE1 3.47Å; M73-F77 HydrophobicContact CE-CE2 3.98Å; M73-F77 HydrophobicContact CE-CZ 3.31Å
74	P	83.1	Confident	81.3	Confident	17 Å²	17	60.2 Å²	60.2	11%	0.11	28%	0.284	C	S	.	.			trans	-55.8	143.2	172.8	-25.7	37.3	0	0	0	111.7	P25 V29 R76 F77 V175	P25-P74 HydrophobicContact CB-CG 3.84Å; V29-P74 HydrophobicContact CG2-CG 3.87Å; P74-R76 PolarHBondContact O-N 2.93Å; P74-F77 HydrophobicContact CB-CD1 4.2Å; P74-F77 WeakPolarHBondContact O-CD1 3.48Å; P74-V175 HydrophobicContact CB-CG1 4.19Å; P74-V175 HydrophobicContact CG-CG1 3.85Å
75	S	83.5	Confident	81.7	Confident	51 Å²	51	57.3 Å²	57.3	36%	0.357	27%	0.268	S	S	.	.	S	Bend	trans	-64.1	-25.7	179	-62.9	0	0	0	0	112.8	N64 N65	N64-S75 CarbonylContact C-O 3.54Å; N65-S75 PolarHBondContact N-O 3.26Å
76	R	89.4	Confident	82.7	Confident	131 Å²	131	55.5 Å²	55.5	49%	0.494	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	126.9	174.6	179.7	170.6	-66.8	-149.2	-1	109.8	V63 N64 P74	V63-R76 WeakPolarHBondContact O-CA 3.21Å; N64-R76 PolarHBondContact OD1-NE 3.28Å; P74-R76 PolarHBondContact O-N 2.93Å
77	F	93.3	Very high	84.4	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.009	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	163.1	170.4	63.2	-89	0	0	0	111.3	V29 W32 V63 M73 P74 T174 V175	V29-F77 HydrophobicContact CB-CD2 4.37Å; V29-F77 HydrophobicContact CG1-CB 4.28Å; V29-F77 HydrophobicContact CG1-CD2 3.62Å; V29-F77 HydrophobicContact CG1-CE2 4.24Å; V29-F77 HydrophobicContact CG1-CG 4.15Å; V29-F77 HydrophobicContact CG2-CB 3.89Å; V29-F77 HydrophobicContact CG2-CD1 4.06Å; V29-F77 HydrophobicContact CG2-CD2 3.84Å; V29-F77 HydrophobicContact CG2-CE2 4.37Å; V29-F77 HydrophobicContact CG2-CG 3.66Å; W32-F77 HydrophobicContact CD2-CE2 4.03Å; W32-F77 AromaticContact CD2-CZ 3.99Å; W32-F77 HydrophobicContact CD2-CZ 3.99Å; W32-F77 AromaticContact CE3-CE2 3.51Å; W32-F77 HydrophobicContact CE3-CE2 3.51Å; W32-F77 AromaticContact CE3-CZ 3.96Å; W32-F77 HydrophobicContact CE3-CZ 3.96Å; W32-F77 HydrophobicContact CH2-CE2 4.23Å; W32-F77 HydrophobicContact CH2-CZ 4.48Å; W32-F77 HydrophobicContact CZ2-CZ 4.47Å; W32-F77 AromaticContact CZ3-CE2 3.65Å; W32-F77 HydrophobicContact CZ3-CE2 3.65Å; W32-F77 HydrophobicContact CZ3-CZ 4.23Å; V63-F77 HydrophobicContact CB-CD1 4.1Å; V63-F77 HydrophobicContact CB-CD2 4.27Å; V63-F77 HydrophobicContact CB-CE1 3.64Å; V63-F77 HydrophobicContact CB-CE2 3.82Å; V63-F77 HydrophobicContact CB-CG 4.4Å; V63-F77 HydrophobicContact CB-CZ 3.49Å; V63-F77 VanDerWaalsContact CB-CZ 3.49Å; V63-F77 HydrophobicContact CG1-CD1 4.36Å; V63-F77 HydrophobicContact CG1-CE1 3.59Å; V63-F77 HydrophobicContact CG1-CZ 3.69Å; V63-F77 HydrophobicContact CG2-CD2 4.39Å; V63-F77 HydrophobicContact CG2-CE1 4.22Å; V63-F77 HydrophobicContact CG2-CE2 3.63Å; V63-F77 HydrophobicContact CG2-CZ 3.54Å; V63-F77 PolarHBondContact N-O 3.42Å; V63-F77 PolarHBondContact O-N 2.84Å; V63-F77 VanDerWaalsContact O-N 3.14Å; M73-F77 HydrophobicContact CB-CE1 4.36Å; M73-F77 HydrophobicContact CE-CD1 4.24Å; M73-F77 HydrophobicContact CE-CE1 3.47Å; M73-F77 VanDerWaalsContact CE-CE1 3.47Å; M73-F77 HydrophobicContact CE-CE2 3.98Å; M73-F77 HydrophobicContact CE-CZ 3.31Å; P74-F77 HydrophobicContact CB-CD1 4.2Å; P74-F77 WeakPolarHBondContact O-CD1 3.48Å; F77-T174 CarbonylContact C-O 3.52Å; F77-T174 WeakPolarHBondContact CA-O 3.49Å; F77-T174 VanDerWaalsContact CB-O 3.29Å; F77-T174 WeakPolarHBondContact CB-O 3.26Å; F77-V175 HydrophobicContact CB-CG2 4.37Å
78	K	95.4	Very high	86.1	Confident	60 Å²	60	44 Å²	44	26%	0.261	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.7	170.6	-45	172.3	-159.1	156.9	0	108.7	V61 K62 T174	V61-K78 WeakPolarHBondContact O-CA 3.46Å; K62-K78 HydrophobicContact CB-CG 4.5Å; K62-K78 HydrophobicContact CG-CG 4.29Å; K78-T174 HydrophobicContact CD-CG2 4.19Å; K78-T174 HydrophobicContact CG-CG2 4.42Å; K78-T174 PolarHBondContact N-O 2.87Å; K78-T174 PolarHBondContact O-N 2.75Å
79	F	97.2	Very high	88	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.4	169.2	173.6	-93.1	0	0	0	108.3	W32 G33 K60 V61 E81 Y171 L173	W32-F79 HydrophobicContact CZ3-CB 4.39Å; G33-F79 VanDerWaalsContact CA-CD2 3.47Å; G33-F79 VanDerWaalsContact CA-CE2 3.49Å; G33-F79 WeakPolarHBondContact O-CE1 3.34Å; G33-F79 WeakPolarHBondContact O-CZ 3.38Å; K60-F79 CarbonylContact C-O 3.57Å; K60-F79 WeakPolarHBondContact CA-O 3.49Å; V61-F79 HydrophobicContact CG1-CB 3.87Å; V61-F79 HydrophobicContact CG1-CD1 4.21Å; V61-F79 PolarHBondContact N-O 3.06Å; V61-F79 PolarHBondContact O-N 3.5Å; F79-E81 HydrophobicContact CE1-CB 3.98Å; F79-E81 HydrophobicContact CZ-CB 4.19Å; F79-Y171 HydrophobicContact CE1-CD1 4.41Å; F79-Y171 AromaticContact CE2-CD1 3.58Å; F79-Y171 HydrophobicContact CE2-CD1 3.58Å; F79-Y171 HydrophobicContact CE2-CE1 4.23Å; F79-Y171 HydrophobicContact CE2-CG 4.17Å; F79-Y171 AromaticContact CZ-CD1 3.35Å; F79-Y171 HydrophobicContact CZ-CD1 3.35Å; F79-Y171 AromaticContact CZ-CE1 3.67Å; F79-Y171 HydrophobicContact CZ-CE1 3.67Å; F79-Y171 HydrophobicContact CZ-CG 4.36Å; F79-L173 HydrophobicContact CD2-CD2 3.43Å; F79-L173 VanDerWaalsContact CD2-CD2 3.43Å; F79-L173 HydrophobicContact CE2-CD2 3.92Å
80	K	98	Very high	89.6	Confident	28 Å²	28	35.3 Å²	35.3	12%	0.122	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	125.9	171.3	179.4	175.4	179.9	168.7	0	109	Y58 M59 K60 Y82 Y171 R172	Y58-K80 HydrophobicContact CD2-CD 4.37Å; Y58-K80 HydrophobicContact CG-CD 4.43Å; M59-K80 CarbonylContact O-C 3.58Å; M59-K80 WeakPolarHBondContact O-CA 3.18Å; K60-K80 HydrophobicContact CB-CB 4.42Å; K60-K80 HydrophobicContact CB-CG 4.34Å; K60-K80 HydrophobicContact CG-CB 4.5Å; K80-Y82 HydrophobicContact CD-CE1 4.03Å; K80-Y82 HydrophobicContact CD-CE2 4.18Å; K80-Y82 VanDerWaalsContact CE-CE1 3.47Å; K80-Y82 HydrophobicContact CG-CD2 4.44Å; K80-Y82 HydrophobicContact CG-CE2 4.17Å; K80-Y171 CarbonylContact O-C 3.59Å; K80-Y171 VanDerWaalsContact O-CA 3.3Å; K80-Y171 WeakPolarHBondContact O-CA 3.36Å; K80-R172 HydrophobicContact CB-CB 4.31Å; K80-R172 PolarHBondContact N-O 2.78Å; K80-R172 PolarHBondContact O-N 3.08Å
81	E	98.1	Very high	91.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.5	166	-179	170.9	-138.2	0	0	108.5	S37 Y58 M59 F79 P84 Y171	S37-E81 VanDerWaalsContact CB-OE2 3.24Å; S37-E81 WeakPolarHBondContact CB-OE2 3.44Å; S37-E81 PolarHBondContact OG-OE1 3.1Å; S37-E81 PolarHBondContact OG-OE2 3.28Å; Y58-E81 CarbonylContact C-O 3.56Å; Y58-E81 VanDerWaalsContact CA-O 3.28Å; Y58-E81 WeakPolarHBondContact CA-O 3.11Å; Y58-E81 WeakPolarHBondContact CB-O 3.19Å; M59-E81 HydrophobicContact CE-CB 4.35Å; M59-E81 WeakPolarHBondContact CE-OE2 3.29Å; M59-E81 PolarHBondContact N-O 3.47Å; M59-E81 PolarHBondContact O-N 3.05Å; F79-E81 HydrophobicContact CE1-CB 3.98Å; F79-E81 HydrophobicContact CZ-CB 4.19Å; E81-P84 HydrophobicContact CG-CB 4.08Å; E81-Y171 HydrophobicContact CB-CD1 3.92Å; E81-Y171 HydrophobicContact CB-CE1 3.88Å; E81-Y171 HydrophobicContact CG-CD1 3.98Å; E81-Y171 HydrophobicContact CG-CE1 3.54Å; E81-Y171 VanDerWaalsContact OE1-CE1 3.22Å; E81-Y171 WeakPolarHBondContact OE1-CE1 3.48Å; E81-Y171 PolarHBondContact OE1-OH 3.27Å
82	Y	98.3	Very high	92.5	Very high	23 Å²	23	25.5 Å²	25.5	9%	0.09	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	143	177	-64.3	-97.7	0	0	0	109.8	K80 F87 H145 L170 R172	K80-Y82 HydrophobicContact CD-CE1 4.03Å; K80-Y82 HydrophobicContact CD-CE2 4.18Å; K80-Y82 VanDerWaalsContact CE-CE1 3.47Å; K80-Y82 HydrophobicContact CG-CD2 4.44Å; K80-Y82 HydrophobicContact CG-CE2 4.17Å; Y82-F87 WeakPolarHBondContact O-CD2 3.4Å; Y82-F87 WeakPolarHBondContact O-CE2 3.31Å; Y82-H145 AromaticContact CD1-CE1 3.71Å; Y82-H145 AromaticContact CD1-NE2 3.12Å; Y82-H145 WeakPolarHBondContact CD1-NE2 3.4Å; Y82-H145 AromaticContact CE1-NE2 3.73Å; Y82-H145 AromaticContact CG-NE2 3.74Å; Y82-L170 HydrophobicContact CD2-CD2 4.3Å; Y82-L170 HydrophobicContact CD2-CG 3.93Å; Y82-L170 HydrophobicContact CG-CD2 4.24Å; Y82-L170 HydrophobicContact CG-CG 4.3Å; Y82-L170 PolarHBondContact N-O 3.04Å; Y82-R172 HydrophobicContact CE2-CB 3.75Å
83	C	97.3	Very high	93.7	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	46.9	48.6	173.8	-48.2	0	0	0	0	114.4	D54 F55 A57 M85 V86 F87 H145 L148	D54-C83 WeakPolarHBondContact O-CA 3.18Å; D54-C83 WeakPolarHBondContact O-CB 3.04Å; F55-C83 VanDerWaalsContact C-SG 3.57Å; F55-C83 PolarHBondContact O-SG 3.33Å; A57-C83 WeakPolarHBondContact O-CA 3.33Å; A57-C83 PolarHBondContact O-N 2.9Å; C83-M85 VanDerWaalsContact C-N 3.28Å; C83-M85 PolarHBondContact O-N 3.13Å; C83-M85 VanDerWaalsContact O-N 3.16Å; C83-V86 HydrophobicContact CB-CB 3.94Å; C83-V86 HydrophobicContact CB-CG2 3.83Å; C83-V86 WeakPolarHBondContact O-CA 3.46Å; C83-V86 WeakPolarHBondContact O-CB 3.24Å; C83-V86 PolarHBondContact O-N 2.94Å; C83-F87 HydrophobicContact CB-CD2 4.12Å; C83-F87 HydrophobicContact CB-CE2 4.07Å; C83-F87 WeakPolarHBondContact O-CD2 3.35Å; C83-F87 PolarHBondContact O-N 3.23Å; C83-H145 PolarHBondContact SG-CE1 3.46Å; C83-L148 HydrophobicContact CB-CD2 3.7Å; C83-L148 WeakPolarHBondContact SG-CD2 3.4Å
84	P	96.1	Very high	94.3	Very high	12 Å²	12	29.1 Å²	29.1	8%	0.078	14%	0.135	C	C	.	.	H	α-helix	trans	-60.9	-33.9	-165.8	24.3	-35.3	0	0	0	113.5	L41 E81 K88	L41-P84 HydrophobicContact CD1-CB 4.18Å; L41-P84 HydrophobicContact CD2-CB 4.08Å; E81-P84 HydrophobicContact CG-CB 4.08Å; P84-K88 VanDerWaalsContact O-CB 3.31Å; P84-K88 WeakPolarHBondContact O-CB 3.3Å; P84-K88 PolarHBondContact O-N 3.3Å
85	M	94.6	Very high	94.9	Very high	20 Å²	20	30.5 Å²	30.5	10%	0.099	15%	0.153	C	C	.	.	H	α-helix	trans	-71	-34.2	175.4	-62.9	-53.9	-66.4	0	0	112.7	L41 V44 L50 D54 C83 S89	L41-M85 HydrophobicContact CD2-SD 4.03Å; V44-M85 HydrophobicContact CG1-CE 4.16Å; V44-M85 HydrophobicContact CG1-SD 3.99Å; L50-M85 HydrophobicContact CD2-CB 4.04Å; D54-M85 HydrophobicContact CB-CB 4.39Å; C83-M85 VanDerWaalsContact C-N 3.28Å; C83-M85 PolarHBondContact O-N 3.13Å; C83-M85 VanDerWaalsContact O-N 3.16Å; M85-S89 PolarHBondContact O-N 3.3Å
86	V	96.6	Very high	95.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-67.2	-50.6	175.9	-171.5	0	0	0	0	109.8	L50 D54 F55 C83 K88 S89 L90 L148 Y152	L50-V86 HydrophobicContact CD1-CB 4.32Å; L50-V86 HydrophobicContact CD1-CG1 4.22Å; L50-V86 HydrophobicContact CD1-CG2 4.18Å; D54-V86 HydrophobicContact CB-CG2 4.03Å; D54-V86 WeakPolarHBondContact O-CG2 3.43Å; F55-V86 HydrophobicContact CD1-CG1 4.15Å; F55-V86 HydrophobicContact CD1-CG2 3.92Å; F55-V86 HydrophobicContact CD2-CG2 4.29Å; F55-V86 HydrophobicContact CE1-CB 4.49Å; F55-V86 HydrophobicContact CE1-CG1 3.63Å; F55-V86 HydrophobicContact CE1-CG2 3.97Å; F55-V86 HydrophobicContact CE2-CG2 4.35Å; F55-V86 HydrophobicContact CG-CG2 4.07Å; F55-V86 HydrophobicContact CZ-CG1 4.16Å; F55-V86 HydrophobicContact CZ-CG2 4.19Å; C83-V86 HydrophobicContact CB-CB 3.94Å; C83-V86 HydrophobicContact CB-CG2 3.83Å; C83-V86 WeakPolarHBondContact O-CA 3.46Å; C83-V86 WeakPolarHBondContact O-CB 3.24Å; C83-V86 PolarHBondContact O-N 2.94Å; V86-K88 VanDerWaalsContact C-N 3.33Å; V86-K88 PolarHBondContact O-N 2.83Å; V86-S89 PolarHBondContact O-N 2.93Å; V86-S89 VanDerWaalsContact O-N 3.11Å; V86-L90 HydrophobicContact CG1-CD1 4.32Å; V86-L90 WeakPolarHBondContact O-CG 3.2Å; V86-L90 PolarHBondContact O-N 2.89Å; V86-L148 HydrophobicContact CB-CD2 4.45Å; V86-L148 HydrophobicContact CG1-CD1 4.08Å; V86-L148 HydrophobicContact CG1-CD2 4.14Å; V86-L148 HydrophobicContact CG1-CG 4.09Å; V86-Y152 HydrophobicContact CG1-CD2 4.12Å; V86-Y152 HydrophobicContact CG1-CG 4.45Å
87	F	97	Very high	95.5	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-67.2	-31.4	177.6	-72.6	-70.8	0	0	0	113.2	Y82 C83 L90 R91 M144 L148 F167 L170	Y82-F87 WeakPolarHBondContact O-CD2 3.4Å; Y82-F87 WeakPolarHBondContact O-CE2 3.31Å; C83-F87 HydrophobicContact CB-CD2 4.12Å; C83-F87 HydrophobicContact CB-CE2 4.07Å; C83-F87 WeakPolarHBondContact O-CD2 3.35Å; C83-F87 PolarHBondContact O-N 3.23Å; F87-L90 HydrophobicContact CD1-CD1 3.89Å; F87-L90 HydrophobicContact CE1-CD1 4.17Å; F87-L90 PolarHBondContact O-N 2.64Å; F87-R91 WeakPolarHBondContact O-CG 3.38Å; F87-R91 PolarHBondContact O-N 3.3Å; F87-M144 HydrophobicContact CZ-CE 4.34Å; F87-L148 HydrophobicContact CZ-CD1 4.23Å; F87-F167 HydrophobicContact CE1-CB 3.96Å; F87-L170 HydrophobicContact CD2-CB 4.47Å; F87-L170 HydrophobicContact CE2-CB 3.57Å; F87-L170 HydrophobicContact CZ-CB 3.61Å
88	K	94.8	Very high	95.5	Very high	48 Å²	48	32.3 Å²	32.3	21%	0.209	16%	0.16	C	C	.	.	H	α-helix	trans	-58	-52	166.8	-172.6	-168.7	175.1	-67.7	0	110.8	Q46 P84 V86 L90 R91 D92	Q46-K88 VanDerWaalsContact OE1-CE 3.22Å; P84-K88 VanDerWaalsContact O-CB 3.31Å; P84-K88 WeakPolarHBondContact O-CB 3.3Å; P84-K88 PolarHBondContact O-N 3.3Å; V86-K88 VanDerWaalsContact C-N 3.33Å; V86-K88 PolarHBondContact O-N 2.83Å; K88-L90 VanDerWaalsContact C-N 3.31Å; K88-L90 PolarHBondContact O-N 2.74Å; K88-R91 PolarHBondContact O-N 2.88Å; K88-D92 IonicContact NZ-OD1 2.68Å; K88-D92 IonicContact NZ-OD2 3.59Å; K88-D92 PolarHBondContact NZ-OD2 3.43Å; K88-D92 PolarHBondContact O-N 3.21Å
89	S	94.4	Very high	95.3	Very high	15 Å²	15	34.8 Å²	34.8	11%	0.105	17%	0.174	C	C	.	.	H	α-helix	trans	-65.6	-32.3	-179.7	-173.4	0	0	0	0	113.1	M85 V86 D92 R93 Y152	M85-S89 PolarHBondContact O-N 3.3Å; V86-S89 PolarHBondContact O-N 2.93Å; V86-S89 VanDerWaalsContact O-N 3.11Å; S89-D92 PolarHBondContact O-N 2.94Å; S89-R93 WeakPolarHBondContact O-CB 3.03Å; S89-R93 VanDerWaalsContact O-CG 3.26Å; S89-R93 WeakPolarHBondContact O-CG 3.07Å; S89-R93 PolarHBondContact O-N 3.15Å; S89-Y152 PolarHBondContact OG-OH 3.21Å
90	L	96.4	Very high	95.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.1	-46.7	171.7	-73.8	170.1	0	0	0	111.5	V86 F87 K88 D92 R93 F94 L148 Y151 Y152 I155	V86-L90 HydrophobicContact CG1-CD1 4.32Å; V86-L90 WeakPolarHBondContact O-CG 3.2Å; V86-L90 PolarHBondContact O-N 2.89Å; F87-L90 HydrophobicContact CD1-CD1 3.89Å; F87-L90 HydrophobicContact CE1-CD1 4.17Å; F87-L90 PolarHBondContact O-N 2.64Å; K88-L90 VanDerWaalsContact C-N 3.31Å; K88-L90 PolarHBondContact O-N 2.74Å; L90-D92 VanDerWaalsContact C-N 3.33Å; L90-D92 PolarHBondContact O-N 3.04Å; L90-R93 PolarHBondContact O-N 2.78Å; L90-R93 VanDerWaalsContact O-N 3.11Å; L90-F94 HydrophobicContact CB-CD2 4.23Å; L90-F94 HydrophobicContact CB-CE2 3.98Å; L90-F94 HydrophobicContact CD2-CE2 4.03Å; L90-F94 HydrophobicContact CD2-CZ 4.29Å; L90-F94 WeakPolarHBondContact O-CD2 3.32Å; L90-F94 WeakPolarHBondContact O-CG 3.18Å; L90-F94 PolarHBondContact O-N 2.9Å; L90-L148 HydrophobicContact CD1-CD1 4.38Å; L90-Y151 HydrophobicContact CD1-CD1 4.33Å; L90-Y151 HydrophobicContact CD1-CE1 3.97Å; L90-Y151 HydrophobicContact CD2-CD1 4.31Å; L90-Y151 HydrophobicContact CD2-CE1 3.88Å; L90-Y152 HydrophobicContact CD2-CD2 3.86Å; L90-Y152 HydrophobicContact CG-CD2 4.1Å; L90-I155 HydrophobicContact CD2-CB 4.2Å; L90-I155 HydrophobicContact CD2-CG1 4.24Å; L90-I155 HydrophobicContact CD2-CG2 4.01Å
91	R	95.8	Very high	95	Very high	9 Å²	9	37.3 Å²	37.3	3%	0.034	19%	0.189	C	C	.	.	H	α-helix	trans	-56.1	-47.3	173.5	-74.7	-177.3	-66.8	-129.1	3.4	111.7	F87 K88 R93 F94 G95 V96 L168	F87-R91 WeakPolarHBondContact O-CG 3.38Å; F87-R91 PolarHBondContact O-N 3.3Å; K88-R91 PolarHBondContact O-N 2.88Å; R91-R93 VanDerWaalsContact C-N 3.28Å; R91-R93 PolarHBondContact O-N 2.97Å; R91-F94 PolarHBondContact O-N 3.03Å; R91-G95 PolarHBondContact O-N 2.87Å; R91-V96 HydrophobicContact CB-CB 4.09Å; R91-V96 HydrophobicContact CB-CG1 4.32Å; R91-V96 HydrophobicContact CG-CB 4.31Å; R91-V96 HydrophobicContact CG-CG1 4.15Å; R91-V96 PolarHBondContact O-N 2.61Å; R91-L168 HydrophobicContact CG-CB 4Å; R91-L168 HydrophobicContact CG-CD2 4.05Å; R91-L168 PolarHBondContact NH1-O 2.8Å
92	D	93.3	Very high	94.8	Very high	82 Å²	82	39.7 Å²	39.7	44%	0.439	20%	0.198	S	C	.	.	H	α-helix	trans	-58.8	-38.7	177	-59.8	-28.3	0	0	0	111.3	K88 S89 L90	K88-D92 IonicContact NZ-OD1 2.68Å; K88-D92 IonicContact NZ-OD2 3.59Å; K88-D92 PolarHBondContact NZ-OD2 3.43Å; K88-D92 PolarHBondContact O-N 3.21Å; S89-D92 PolarHBondContact O-N 2.94Å; L90-D92 VanDerWaalsContact C-N 3.33Å; L90-D92 PolarHBondContact O-N 3.04Å
93	R	93.5	Very high	94.6	Very high	101 Å²	101	40 Å²	40	38%	0.381	20%	0.201	S	C	.	.	H	α-helix	trans	-75.1	-28.7	177.7	-73.6	174.5	-171.9	-68.9	-6.8	114.7	S89 L90 R91 G95 Y152 I155 V156	S89-R93 WeakPolarHBondContact O-CB 3.03Å; S89-R93 VanDerWaalsContact O-CG 3.26Å; S89-R93 WeakPolarHBondContact O-CG 3.07Å; S89-R93 PolarHBondContact O-N 3.15Å; L90-R93 PolarHBondContact O-N 2.78Å; L90-R93 VanDerWaalsContact O-N 3.11Å; R91-R93 VanDerWaalsContact C-N 3.28Å; R91-R93 PolarHBondContact O-N 2.97Å; R93-G95 VanDerWaalsContact C-N 3.3Å; R93-Y152 PolarHBondContact NE-OH 2.74Å; R93-Y152 PolarHBondContact NH2-OH 3.06Å; R93-I155 HydrophobicContact CB-CG2 4.34Å; R93-V156 VanDerWaalsContact CZ-CG2 3.5Å
94	F	95.2	Very high	94.4	Very high	12 Å²	12	40 Å²	40	5%	0.053	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	7.5	178.3	-66.4	-48.1	0	0	0	113.8	L90 R91 V96 Y151 I155 Q166 L168 R186	L90-F94 HydrophobicContact CB-CD2 4.23Å; L90-F94 HydrophobicContact CB-CE2 3.98Å; L90-F94 HydrophobicContact CD2-CE2 4.03Å; L90-F94 HydrophobicContact CD2-CZ 4.29Å; L90-F94 WeakPolarHBondContact O-CD2 3.32Å; L90-F94 WeakPolarHBondContact O-CG 3.18Å; L90-F94 PolarHBondContact O-N 2.9Å; R91-F94 PolarHBondContact O-N 3.03Å; F94-V96 HydrophobicContact CB-CG2 4.11Å; F94-V96 PolarHBondContact O-N 3.48Å; F94-Y151 HydrophobicContact CZ-CE1 4.5Å; F94-Y151 WeakPolarHBondContact CZ-OH 3.03Å; F94-I155 HydrophobicContact CD1-CG2 4.41Å; F94-I155 HydrophobicContact CE1-CD1 3.82Å; F94-I155 HydrophobicContact CE1-CG1 4.19Å; F94-I155 HydrophobicContact CE1-CG2 3.62Å; F94-I155 HydrophobicContact CZ-CB 4.43Å; F94-I155 HydrophobicContact CZ-CD1 3.75Å; F94-I155 HydrophobicContact CZ-CG1 3.8Å; F94-I155 HydrophobicContact CZ-CG2 3.73Å; F94-Q166 HydrophobicContact CD1-CB 4.09Å; F94-Q166 HydrophobicContact CD1-CG 3.61Å; F94-Q166 HydrophobicContact CD2-CB 3.86Å; F94-Q166 HydrophobicContact CD2-CG 4.32Å; F94-Q166 HydrophobicContact CE1-CB 4.01Å; F94-Q166 HydrophobicContact CE1-CG 3.51Å; F94-Q166 HydrophobicContact CE2-CB 3.76Å; F94-Q166 HydrophobicContact CE2-CG 4.22Å; F94-Q166 HydrophobicContact CG-CB 4.02Å; F94-Q166 HydrophobicContact CG-CG 4.03Å; F94-Q166 HydrophobicContact CZ-CB 3.84Å; F94-Q166 HydrophobicContact CZ-CG 3.82Å; F94-L168 HydrophobicContact CB-CD2 4.46Å; F94-L168 HydrophobicContact CD2-CD2 3.65Å; F94-L168 HydrophobicContact CE2-CD2 4.36Å; F94-L168 HydrophobicContact CG-CD2 4.47Å; F94-R186 PolarHBondContact O-NH2 2.83Å
95	G	93.8	Very high	94.2	Very high	46 Å²	46	39.5 Å²	39.5	47%	0.474	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	32.7	-175.5	0	0	0	0	0	112.5	R91 R93	R91-G95 PolarHBondContact O-N 2.87Å; R93-G95 VanDerWaalsContact C-N 3.3Å
96	V	94.3	Very high	94	Very high	7 Å²	7	38.9 Å²	38.9	4%	0.042	20%	0.195	C	C	.	.			trans	-94.8	102.6	175.7	174.3	0	0	0	0	108.1	R91 F94 Y101 F131 L168 R186	R91-V96 HydrophobicContact CB-CB 4.09Å; R91-V96 HydrophobicContact CB-CG1 4.32Å; R91-V96 HydrophobicContact CG-CB 4.31Å; R91-V96 HydrophobicContact CG-CG1 4.15Å; R91-V96 PolarHBondContact O-N 2.61Å; F94-V96 HydrophobicContact CB-CG2 4.11Å; F94-V96 PolarHBondContact O-N 3.48Å; V96-Y101 HydrophobicContact CG1-CD2 3.93Å; V96-Y101 HydrophobicContact CG1-CG 4.32Å; V96-F131 HydrophobicContact CG1-CE1 4.04Å; V96-F131 HydrophobicContact CG1-CZ 3.81Å; V96-F131 HydrophobicContact CG2-CE1 4.16Å; V96-L168 HydrophobicContact CG2-CD1 4.17Å; V96-L168 HydrophobicContact CG2-CD2 3.96Å; V96-R186 VanDerWaalsContact CG2-NH2 3.26Å
97	E	92.3	Very high	93.6	Very high	129 Å²	129	45.8 Å²	45.8	60%	0.603	22%	0.221	S	C	*	.			trans	-63	141.3	178.1	-69.6	-156.5	-167.7	0	0	112	M99 D100 Y101	E97-M99 VanDerWaalsContact C-N 3.3Å; E97-M99 PolarHBondContact O-N 3.03Å; E97-D100 HydrophobicContact CB-CB 4.2Å; E97-D100 PolarHBondContact O-N 2.92Å; E97-Y101 PolarHBondContact O-N 3.13Å
98	K	92.3	Very high	93.3	Very high	86 Å²	86	50.6 Å²	50.6	37%	0.374	24%	0.243	S	C	.	.	H	α-helix	trans	-55.3	-44.5	179.3	177.3	-169.9	158.1	-170.7	0	111.9	F38 N42 W102	F38-K98 HydrophobicContact CD1-CG 3.74Å; F38-K98 HydrophobicContact CE1-CB 4.38Å; F38-K98 HydrophobicContact CE1-CG 3.55Å; F38-K98 VanDerWaalsContact CE1-O 3.26Å; F38-K98 WeakPolarHBondContact CE1-O 3.36Å; N42-K98 WeakPolarHBondContact OD1-CE 3.32Å; N42-K98 PolarHBondContact OD1-NZ 3.01Å; K98-W102 WeakPolarHBondContact O-CB 3.31Å; K98-W102 PolarHBondContact O-N 3.27Å; K98-W102 VanDerWaalsContact O-N 3.13Å
99	M	93	Very high	93.1	Very high	113 Å²	113	51 Å²	51	56%	0.557	25%	0.246	S	C	*	.	H	α-helix	trans	-73.2	-40.6	-177.4	-64.9	-55.6	176.9	0	0	111.6	E97 Y101 W102 D103	E97-M99 VanDerWaalsContact C-N 3.3Å; E97-M99 PolarHBondContact O-N 3.03Å; M99-Y101 PolarHBondContact O-N 3.42Å; M99-W102 PolarHBondContact O-N 2.62Å; M99-D103 VanDerWaalsContact O-CB 3.25Å; M99-D103 WeakPolarHBondContact O-CB 3.35Å; M99-D103 PolarHBondContact O-N 3.45Å
100	D	92.7	Very high	93	Very high	80 Å²	80	50.4 Å²	50.4	43%	0.428	24%	0.242	S	C	.	.	H	α-helix	trans	-61	-46	176.2	-69.8	-7.1	0	0	0	112	E97 D103 S104	E97-D100 HydrophobicContact CB-CB 4.2Å; E97-D100 PolarHBondContact O-N 2.92Å; D100-D103 PolarHBondContact O-N 3.48Å; D100-S104 VanDerWaalsContact O-CB 3.23Å; D100-S104 WeakPolarHBondContact O-CB 3.45Å; D100-S104 PolarHBondContact O-N 3.12Å; D100-S104 PolarHBondContact O-OG 3.26Å
101	Y	95.3	Very high	92.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-60.9	-48	175.9	-173.9	-88.3	0	0	0	111.7	I34 F38 V96 E97 M99 F105 F131 L168 Y171 V184	I34-Y101 HydrophobicContact CG2-CE1 4.17Å; F38-Y101 HydrophobicContact CE1-CD1 4.28Å; F38-Y101 AromaticContact CE2-CD1 3.81Å; F38-Y101 HydrophobicContact CE2-CD1 3.81Å; F38-Y101 AromaticContact CE2-CE1 3.95Å; F38-Y101 HydrophobicContact CE2-CE1 3.95Å; F38-Y101 AromaticContact CZ-CD1 3.37Å; F38-Y101 HydrophobicContact CZ-CD1 3.37Å; F38-Y101 AromaticContact CZ-CE1 3.95Å; F38-Y101 HydrophobicContact CZ-CE1 3.95Å; F38-Y101 HydrophobicContact CZ-CG 4.25Å; V96-Y101 HydrophobicContact CG1-CD2 3.93Å; V96-Y101 HydrophobicContact CG1-CG 4.32Å; E97-Y101 PolarHBondContact O-N 3.13Å; M99-Y101 PolarHBondContact O-N 3.42Å; Y101-F105 HydrophobicContact CD1-CD2 4.35Å; Y101-F105 HydrophobicContact CD2-CE2 4.34Å; Y101-F105 HydrophobicContact CE1-CD2 4.09Å; Y101-F105 HydrophobicContact CE1-CE2 4.21Å; Y101-F105 HydrophobicContact CE2-CD2 4.39Å; Y101-F105 AromaticContact CE2-CE2 3.82Å; Y101-F105 HydrophobicContact CE2-CE2 3.82Å; Y101-F105 AromaticContact CZ-CE2 3.77Å; Y101-F105 WeakPolarHBondContact O-CD2 3.34Å; Y101-F105 PolarHBondContact O-N 2.86Å; Y101-F131 HydrophobicContact CD2-CD1 4.47Å; Y101-F131 HydrophobicContact CD2-CD2 4.21Å; Y101-F131 HydrophobicContact CD2-CE1 4.3Å; Y101-F131 HydrophobicContact CD2-CE2 4.03Å; Y101-F131 HydrophobicContact CD2-CG 4.44Å; Y101-F131 HydrophobicContact CD2-CZ 4.09Å; Y101-L168 HydrophobicContact CD2-CB 4.39Å; Y101-L168 HydrophobicContact CD2-CD1 4.24Å; Y101-L168 HydrophobicContact CE2-CB 3.63Å; Y101-L168 HydrophobicContact CE2-CD1 4.01Å; Y101-L168 HydrophobicContact CE2-CG 4.49Å; Y101-Y171 PolarHBondContact OH-OH 3.18Å; Y101-V184 HydrophobicContact CE2-CG1 3.8Å; Y101-V184 WeakPolarHBondContact OH-CG1 3.36Å
102	W	94.2	Very high	92.1	Very high	51 Å²	51	55.6 Å²	55.6	19%	0.193	27%	0.267	C	S	.	.	H	α-helix	trans	-61.8	-46.7	178.8	176.4	87	0	0	0	111.7	K18 N35 F38 K98 M99 S104 F105 T106	K18-W102 HydrophobicContact CD-CH2 4.34Å; N35-W102 WeakPolarHBondContact OD1-CZ2 3.45Å; N35-W102 PolarHBondContact OD1-NE1 3.23Å; F38-W102 HydrophobicContact CD1-CB 3.87Å; F38-W102 HydrophobicContact CD1-CG 4.35Å; F38-W102 HydrophobicContact CE1-CB 4.01Å; F38-W102 HydrophobicContact CG-CB 4.5Å; K98-W102 WeakPolarHBondContact O-CB 3.31Å; K98-W102 PolarHBondContact O-N 3.27Å; K98-W102 VanDerWaalsContact O-N 3.13Å; M99-W102 PolarHBondContact O-N 2.62Å; W102-S104 PolarHBondContact O-N 3.39Å; W102-F105 PolarHBondContact O-N 3.15Å; W102-T106 HydrophobicContact CD2-CG2 4.42Å; W102-T106 HydrophobicContact CG-CG2 4.37Å; W102-T106 VanDerWaalsContact O-CB 3.29Å; W102-T106 WeakPolarHBondContact O-CB 3.49Å; W102-T106 VanDerWaalsContact O-CG2 3.25Å; W102-T106 WeakPolarHBondContact O-CG2 3.18Å; W102-T106 PolarHBondContact O-N 2.81Å; W102-T106 PolarHBondContact O-OG1 3.27Å
103	D	93.5	Very high	91.2	Very high	28 Å²	28	52.9 Å²	52.9	15%	0.15	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-42	-178	-163.8	62.3	0	0	0	111.3	M99 D100 F105 T106 R107 Y127	M99-D103 VanDerWaalsContact O-CB 3.25Å; M99-D103 WeakPolarHBondContact O-CB 3.35Å; M99-D103 PolarHBondContact O-N 3.45Å; D100-D103 PolarHBondContact O-N 3.48Å; D103-F105 PolarHBondContact O-N 2.96Å; D103-T106 PolarHBondContact O-N 3.11Å; D103-T106 VanDerWaalsContact O-N 3.1Å; D103-R107 VanDerWaalsContact CG-NE 3.34Å; D103-R107 WeakPolarHBondContact O-CB 3.46Å; D103-R107 PolarHBondContact O-N 2.71Å; D103-R107 IonicContact OD1-CZ 3.88Å; D103-R107 IonicContact OD1-NE 2.84Å; D103-R107 PolarHBondContact OD1-NE 3.17Å; D103-R107 IonicContact OD1-NH2 2.72Å; D103-R107 PolarHBondContact OD1-NH2 3.29Å; D103-R107 IonicContact OD2-CZ 2.66Å; D103-R107 IonicContact OD2-NE 2.69Å; D103-R107 PolarHBondContact OD2-NE 3.12Å; D103-R107 IonicContact OD2-NH2 3Å; D103-R107 PolarHBondContact OD2-NH2 2.79Å; D103-Y127 WeakPolarHBondContact O-CE1 3.39Å; D103-Y127 PolarHBondContact OD2-OH 3.14Å
104	S	93.3	Very high	89.3	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.014	27%	0.266	C	S	.	.	H	α-helix	trans	-54.1	-35.5	176.9	-62	0	0	0	0	113.8	D100 W102 T126 Y127 N128 F131	D100-S104 VanDerWaalsContact O-CB 3.23Å; D100-S104 WeakPolarHBondContact O-CB 3.45Å; D100-S104 PolarHBondContact O-N 3.12Å; D100-S104 PolarHBondContact O-OG 3.26Å; W102-S104 PolarHBondContact O-N 3.39Å; S104-T126 WeakPolarHBondContact O-CB 3.42Å; S104-T126 WeakPolarHBondContact O-CG2 2.79Å; S104-Y127 WeakPolarHBondContact O-CD1 3.03Å; S104-Y127 WeakPolarHBondContact O-CE1 3.45Å; S104-N128 PolarHBondContact OG-ND2 3.49Å; S104-F131 WeakPolarHBondContact OG-CE2 3.15Å
105	F	92.7	Very high	87.2	Confident	1 Å²	1	53 Å²	53	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-92.7	-25.9	176.7	-79.6	-79.5	0	0	0	114	L30 M31 I34 Y101 W102 D103 T126 F131 A133 V184	L30-F105 HydrophobicContact CD2-CD1 4.47Å; L30-F105 HydrophobicContact CD2-CE1 4.38Å; M31-F105 WeakPolarHBondContact CG-O 3.37Å; I34-F105 HydrophobicContact CD1-CB 3.89Å; I34-F105 HydrophobicContact CD1-CD1 3.63Å; I34-F105 HydrophobicContact CD1-CD2 3.94Å; I34-F105 HydrophobicContact CD1-CE1 4.15Å; I34-F105 HydrophobicContact CD1-CE2 4.43Å; I34-F105 HydrophobicContact CD1-CG 3.52Å; I34-F105 HydrophobicContact CG2-CB 4.33Å; Y101-F105 HydrophobicContact CD1-CD2 4.35Å; Y101-F105 HydrophobicContact CD2-CE2 4.34Å; Y101-F105 HydrophobicContact CE1-CD2 4.09Å; Y101-F105 HydrophobicContact CE1-CE2 4.21Å; Y101-F105 HydrophobicContact CE2-CD2 4.39Å; Y101-F105 AromaticContact CE2-CE2 3.82Å; Y101-F105 HydrophobicContact CE2-CE2 3.82Å; Y101-F105 AromaticContact CZ-CE2 3.77Å; Y101-F105 WeakPolarHBondContact O-CD2 3.34Å; Y101-F105 PolarHBondContact O-N 2.86Å; W102-F105 PolarHBondContact O-N 3.15Å; D103-F105 PolarHBondContact O-N 2.96Å; F105-T126 HydrophobicContact CD1-CG2 3.9Å; F105-T126 HydrophobicContact CD2-CG2 4.03Å; F105-T126 HydrophobicContact CE1-CG2 3.68Å; F105-T126 HydrophobicContact CE2-CG2 3.8Å; F105-T126 HydrophobicContact CG-CG2 4.07Å; F105-T126 HydrophobicContact CZ-CG2 3.61Å; F105-F131 HydrophobicContact CE2-CB 3.97Å; F105-F131 HydrophobicContact CE2-CD2 4.11Å; F105-F131 HydrophobicContact CE2-CG 4.27Å; F105-F131 HydrophobicContact CZ-CB 4.04Å; F105-A133 HydrophobicContact CE1-CB 4.45Å; F105-V184 HydrophobicContact CE1-CG2 4.39Å; F105-V184 HydrophobicContact CE2-CG1 3.83Å; F105-V184 HydrophobicContact CE2-CG2 4.49Å; F105-V184 HydrophobicContact CZ-CB 4.4Å; F105-V184 HydrophobicContact CZ-CG1 3.58Å; F105-V184 HydrophobicContact CZ-CG2 3.83Å
106	T	90.5	Very high	84.9	Confident	7 Å²	7	59.3 Å²	59.3	4%	0.043	28%	0.279	C	S	.	.	H	α-helix	trans	-109	-19.4	-166.9	64	0	0	0	0	115.2	F20 N35 W102 D103	F20-T106 HydrophobicContact CE1-CG2 4.07Å; F20-T106 HydrophobicContact CZ-CG2 4.46Å; N35-T106 HydrophobicContact CB-CG2 4.16Å; W102-T106 HydrophobicContact CD2-CG2 4.42Å; W102-T106 HydrophobicContact CG-CG2 4.37Å; W102-T106 VanDerWaalsContact O-CB 3.29Å; W102-T106 WeakPolarHBondContact O-CB 3.49Å; W102-T106 VanDerWaalsContact O-CG2 3.25Å; W102-T106 WeakPolarHBondContact O-CG2 3.18Å; W102-T106 PolarHBondContact O-N 2.81Å; W102-T106 PolarHBondContact O-OG1 3.27Å; D103-T106 PolarHBondContact O-N 3.11Å; D103-T106 VanDerWaalsContact O-N 3.1Å
107	R	88.6	Confident	82.7	Confident	144 Å²	144	60 Å²	60	54%	0.543	29%	0.287	S	S	.	.	S	Bend	trans	-71.1	-45.7	178.5	-172.9	-175.5	-65.2	-105.3	-2.1	112.3	D103 Y127	D103-R107 VanDerWaalsContact CG-NE 3.34Å; D103-R107 WeakPolarHBondContact O-CB 3.46Å; D103-R107 PolarHBondContact O-N 2.71Å; D103-R107 IonicContact OD1-CZ 3.88Å; D103-R107 IonicContact OD1-NE 2.84Å; D103-R107 PolarHBondContact OD1-NE 3.17Å; D103-R107 IonicContact OD1-NH2 2.72Å; D103-R107 PolarHBondContact OD1-NH2 3.29Å; D103-R107 IonicContact OD2-CZ 2.66Å; D103-R107 IonicContact OD2-NE 2.69Å; D103-R107 PolarHBondContact OD2-NE 3.12Å; D103-R107 IonicContact OD2-NH2 3Å; D103-R107 PolarHBondContact OD2-NH2 2.79Å; R107-Y127 HydrophobicContact CB-CE1 3.81Å; R107-Y127 WeakPolarHBondContact CD-OH 3.46Å; R107-Y127 PolarHBondContact NE-OH 3.09Å
108	H	89.3	Confident	80.4	Confident	101 Å²	101	61.5 Å²	61.5	47%	0.468	29%	0.292	S	S	.	.	S	Bend	trans	-135.6	154.3	176.2	-57.1	110.1	0	0	0	110	Y127	H108-Y127 HydrophobicContact CB-CD1 3.73Å; H108-Y127 HydrophobicContact CB-CD2 4.46Å; H108-Y127 HydrophobicContact CB-CE1 4.5Å; H108-Y127 HydrophobicContact CB-CG 3.73Å; H108-Y127 AromaticContact ND1-CD1 3.84Å; H108-Y127 AromaticContact ND1-CD2 3.36Å; H108-Y127 WeakPolarHBondContact ND1-CD2 3.49Å; H108-Y127 AromaticContact ND1-CE2 3.6Å; H108-Y127 AromaticContact ND1-CG 3.52Å; H108-Y127 AromaticContact ND1-CZ 3.95Å
109	Q	90.9	Very high	78.5	Confident	58 Å²	58	62.1 Å²	62.1	27%	0.271	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-58.6	140.5	175.9	63.1	174.1	-5	0	0	111.4	A22 N23 M31	A22-Q109 HydrophobicContact CB-CB 3.71Å; N23-Q109 PolarHBondContact OD1-OE1 3.41Å; M31-Q109 HydrophobicContact SD-CB 4.11Å
110	P	91.5	Very high	77.1	Confident	1 Å²	1	59.6 Å²	59.6	1%	0.006	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-67	143.7	168.1	29	-33.8	0	0	0	110.1	K27 L124 V125	K27-P110 WeakPolarHBondContact CD-O 3.48Å; K27-P110 WeakPolarHBondContact CE-O 3.25Å; K27-P110 HydrophobicContact CG-CG 4.39Å; K27-P110 PolarHBondContact NZ-O 2.65Å; P110-L124 HydrophobicContact CB-CB 4.22Å; P110-L124 HydrophobicContact CB-CD2 4.24Å; P110-L124 HydrophobicContact CG-CD1 4.33Å; P110-L124 HydrophobicContact CG-CD2 4.29Å; P110-V125 CarbonylContact C-O 3.49Å; P110-V125 VanDerWaalsContact CA-O 3.31Å; P110-V125 WeakPolarHBondContact CA-O 3.48Å; P110-V125 WeakPolarHBondContact CB-O 3.31Å
111	L	89.5	Confident	76.2	Confident	73 Å²	73	56.5 Å²	56.5	38%	0.382	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	141.6	178.8	-60.1	179.7	0	0	0	109.2	D113 L124 V125 L399	L111-D113 PolarHBondContact O-N 2.95Å; L111-L124 CarbonylContact O-C 3.53Å; L111-L124 WeakPolarHBondContact O-CA 3.22Å; L111-V125 PolarHBondContact N-O 2.89Å; L111-V125 PolarHBondContact O-N 2.66Å; L111-L399 HydrophobicContact CD1-CD1 3.71Å
112	W	85.2	Confident	75.7	Confident	46 Å²	46	61.2 Å²	61.2	17%	0.174	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	128.5	165.7	-74.9	120.7	0	0	0	107.6	E24 L26 K27 S114 K122 L124	E24-W112 PolarHBondContact OE1-NE1 3.07Å; E24-W112 PolarHBondContact OE2-NE1 3.48Å; L26-W112 HydrophobicContact CD2-CH2 4.05Å; L26-W112 HydrophobicContact CD2-CZ2 4.04Å; K27-W112 VanDerWaalsContact CE-CD1 3.41Å; K27-W112 VanDerWaalsContact CE-NE1 3.34Å; W112-S114 PolarHBondContact O-N 2.99Å; W112-K122 HydrophobicContact CE3-CB 3.84Å; W112-K122 HydrophobicContact CE3-CD 4.29Å; W112-K122 HydrophobicContact CH2-CB 4.24Å; W112-K122 HydrophobicContact CH2-CD 4.08Å; W112-K122 HydrophobicContact CZ3-CB 3.4Å; W112-K122 VanDerWaalsContact CZ3-CB 3.4Å; W112-K122 HydrophobicContact CZ3-CD 3.92Å; W112-K122 HydrophobicContact CZ3-CG 4.35Å; W112-L124 HydrophobicContact CD2-CD2 3.46Å; W112-L124 VanDerWaalsContact CD2-CD2 3.46Å; W112-L124 HydrophobicContact CD2-CG 4.1Å; W112-L124 HydrophobicContact CE3-CD2 3.53Å; W112-L124 HydrophobicContact CE3-CG 3.65Å; W112-L124 HydrophobicContact CG-CD2 3.96Å; W112-L124 HydrophobicContact CH2-CD1 4.13Å; W112-L124 HydrophobicContact CH2-CD2 4.18Å; W112-L124 HydrophobicContact CH2-CG 3.92Å; W112-L124 HydrophobicContact CZ2-CD2 4.15Å; W112-L124 HydrophobicContact CZ2-CG 4.38Å; W112-L124 HydrophobicContact CZ3-CD1 4.23Å; W112-L124 HydrophobicContact CZ3-CD2 3.89Å; W112-L124 HydrophobicContact CZ3-CG 3.54Å
113	D	73.1	Confident	75.5	Confident	24 Å²	24	61.7 Å²	61.7	13%	0.128	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-62.9	117.4	152.5	157.9	32.3	0	0	0	108	L111 T115 F123 V125 G395	L111-D113 PolarHBondContact O-N 2.95Å; D113-T115 PolarHBondContact O-N 2.88Å; D113-T115 WeakPolarHBondContact OD1-CB 2.98Å; D113-T115 WeakPolarHBondContact OD1-CG2 3.35Å; D113-T115 PolarHBondContact OD1-N 3.44Å; D113-T115 PolarHBondContact OD1-OG1 2.76Å; D113-T115 PolarHBondContact OD2-OG1 3.45Å; D113-F123 HydrophobicContact CB-CB 4.02Å; D113-F123 WeakPolarHBondContact CB-O 3.46Å; D113-F123 PolarHBondContact N-O 2.66Å; D113-V125 HydrophobicContact CB-CG2 4.46Å; D113-G395 WeakPolarHBondContact OD1-CA 3.37Å; D113-G395 WeakPolarHBondContact OD2-CA 3.23Å; D113-G395 PolarHBondContact OD2-N 2.96Å
114	S	55.4	Low	75.4	Confident	97 Å²	97	60.4 Å²	60.4	68%	0.678	31%	0.312	S	S	*	.			trans	-71.6	-3.6	-176.9	-63.4	0	0	0	0	113.7	W112 R116	W112-S114 PolarHBondContact O-N 2.99Å; S114-R116 VanDerWaalsContact C-N 3.32Å; S114-R116 PolarHBondContact O-N 3.34Å
115	T	50.8	Low	75.4	Confident	20 Å²	20	61.1 Å²	61.1	12%	0.123	32%	0.316	C	S	.	.			trans	-92.7	53.5	-164.8	71.9	0	0	0	0	113.3	D113 G117 A392 G393 D394	D113-T115 PolarHBondContact O-N 2.88Å; D113-T115 WeakPolarHBondContact OD1-CB 2.98Å; D113-T115 WeakPolarHBondContact OD1-CG2 3.35Å; D113-T115 PolarHBondContact OD1-N 3.44Å; D113-T115 PolarHBondContact OD1-OG1 2.76Å; D113-T115 PolarHBondContact OD2-OG1 3.45Å; T115-G117 PolarHBondContact O-N 3.17Å; T115-A392 VanDerWaalsContact C-N 3.31Å; T115-A392 CarbonylContact O-C 3.51Å; T115-A392 WeakPolarHBondContact O-CA 3.44Å; T115-A392 PolarHBondContact O-N 2.85Å; T115-G393 PolarHBondContact O-N 2.84Å; T115-D394 HydrophobicContact CG2-CB 3.59Å; T115-D394 VanDerWaalsContact CG2-OD2 3.3Å; T115-D394 WeakPolarHBondContact CG2-OD2 3.33Å; T115-D394 WeakPolarHBondContact OG1-CA 3.35Å; T115-D394 PolarHBondContact OG1-N 2.85Å
116	R	44.1	Very low	75.4	Confident	177 Å²	177	61.2 Å²	61.2	67%	0.668	32%	0.317	S	S	*	.			trans	-16	89.1	172.3	-106.1	-175.4	-175.9	-117	8.1	115.8	S114 S391 A392	S114-R116 VanDerWaalsContact C-N 3.32Å; S114-R116 PolarHBondContact O-N 3.34Å; R116-S391 CarbonylContact O-C 3.59Å; R116-S391 WeakPolarHBondContact O-CA 3.34Å; R116-S391 PolarHBondContact O-OG 2.89Å; R116-A392 VanDerWaalsContact C-N 3.31Å; R116-A392 WeakPolarHBondContact O-CA 3.24Å; R116-A392 VanDerWaalsContact O-CB 3.24Å; R116-A392 WeakPolarHBondContact O-CB 3.33Å; R116-A392 PolarHBondContact O-N 2.8Å
117	G	48.5	Very low	75.4	Confident	22 Å²	22	64.3 Å²	64.3	23%	0.227	33%	0.328	C	S	.	.			trans	-51.4	147.2	178.8	0	0	0	0	0	113.5	T115 S119 G120	T115-G117 PolarHBondContact O-N 3.17Å; G117-S119 PolarHBondContact O-N 2.53Å; G117-G120 PolarHBondContact O-N 2.93Å
118	K	44.6	Very low	75.5	Confident	160 Å²	160	59.1 Å²	59.1	70%	0.696	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-27.4	169.3	-84.3	-167.6	177.7	-168.5	0	111.8	G120 D270 A392	K118-G120 VanDerWaalsContact C-N 3.35Å; K118-D270 IonicContact NZ-OD1 2.83Å; K118-D270 PolarHBondContact NZ-OD1 3.3Å; K118-A392 HydrophobicContact CG-CB 4.38Å
119	S	52	Low	75.6	Confident	99 Å²	99	58.5 Å²	58.5	69%	0.692	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-1.9	-178.5	-150.5	0	0	0	0	115.2	G117 S121	G117-S119 PolarHBondContact O-N 2.53Å; S119-S121 PolarHBondContact O-N 3.5Å
120	G	63	Low	75.7	Confident	61 Å²	61	57.6 Å²	57.6	63%	0.629	30%	0.301	S	S	*	.	S	Bend	trans	72.1	-22.2	-176.8	0	0	0	0	0	115.3	G117 K118 K122	G117-G120 PolarHBondContact O-N 2.93Å; K118-G120 VanDerWaalsContact C-N 3.35Å; G120-K122 PolarHBondContact O-N 3.1Å
121	S	75	Confident	75.9	Confident	14 Å²	14	57.7 Å²	57.7	10%	0.098	30%	0.301	C	S	.	.			trans	-49.6	130.2	164.4	167.6	0	0	0	0	111.2	S119 K134 T135	S119-S121 PolarHBondContact O-N 3.5Å; S121-K134 WeakPolarHBondContact OG-CE 3.22Å; S121-K134 WeakPolarHBondContact OG-CG 3.24Å; S121-T135 WeakPolarHBondContact CB-O 3.33Å; S121-T135 PolarHBondContact OG-O 3.49Å; S121-T135 VanDerWaalsContact OG-O 3.04Å
122	K	84.8	Confident	76.1	Confident	100 Å²	100	54.8 Å²	54.8	44%	0.435	29%	0.286	S	S	.	.			trans	-110.8	146.1	175.7	-57.3	178.5	-175.9	175.9	0	110.2	W112 G120 T135	W112-K122 HydrophobicContact CE3-CB 3.84Å; W112-K122 HydrophobicContact CE3-CD 4.29Å; W112-K122 HydrophobicContact CH2-CB 4.24Å; W112-K122 HydrophobicContact CH2-CD 4.08Å; W112-K122 HydrophobicContact CZ3-CB 3.4Å; W112-K122 VanDerWaalsContact CZ3-CB 3.4Å; W112-K122 HydrophobicContact CZ3-CD 3.92Å; W112-K122 HydrophobicContact CZ3-CG 4.35Å; G120-K122 PolarHBondContact O-N 3.1Å; K122-T135 WeakPolarHBondContact O-CB 3.24Å; K122-T135 PolarHBondContact O-N 3.44Å; K122-T135 PolarHBondContact O-OG1 3.17Å
123	F	89.8	Confident	76.5	Confident	60 Å²	60	52.7 Å²	52.7	26%	0.263	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	135.6	176.4	-62.2	-87	0	0	0	111.4	D113 V132 A133 K134	D113-F123 HydrophobicContact CB-CB 4.02Å; D113-F123 WeakPolarHBondContact CB-O 3.46Å; D113-F123 PolarHBondContact N-O 2.66Å; F123-V132 HydrophobicContact CB-CG1 4.21Å; F123-V132 HydrophobicContact CD1-CG1 3.61Å; F123-V132 HydrophobicContact CE1-CG1 4.44Å; F123-V132 HydrophobicContact CG-CG1 4.33Å; F123-A133 WeakPolarHBondContact CA-O 3.38Å; F123-K134 HydrophobicContact CD1-CB 3.81Å; F123-K134 HydrophobicContact CD1-CG 3.92Å; F123-K134 HydrophobicContact CE1-CB 3.69Å; F123-K134 HydrophobicContact CE1-CD 3.75Å; F123-K134 HydrophobicContact CE1-CG 3.46Å; F123-K134 VanDerWaalsContact CE1-CG 3.46Å; F123-K134 HydrophobicContact CZ-CD 4.09Å; F123-K134 HydrophobicContact CZ-CG 4.02Å
124	L	91.8	Very high	77.5	Confident	1 Å²	1	52 Å²	52	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.5	164.7	-77.4	170.1	0	0	0	108.4	K27 L30 P110 L111 W112 V132 A133 I182	K27-L124 HydrophobicContact CD-CD2 4.41Å; K27-L124 HydrophobicContact CG-CD2 4.19Å; L30-L124 HydrophobicContact CD2-CD1 3.88Å; P110-L124 HydrophobicContact CB-CB 4.22Å; P110-L124 HydrophobicContact CB-CD2 4.24Å; P110-L124 HydrophobicContact CG-CD1 4.33Å; P110-L124 HydrophobicContact CG-CD2 4.29Å; L111-L124 CarbonylContact O-C 3.53Å; L111-L124 WeakPolarHBondContact O-CA 3.22Å; W112-L124 HydrophobicContact CD2-CD2 3.46Å; W112-L124 VanDerWaalsContact CD2-CD2 3.46Å; W112-L124 HydrophobicContact CD2-CG 4.1Å; W112-L124 HydrophobicContact CE3-CD2 3.53Å; W112-L124 HydrophobicContact CE3-CG 3.65Å; W112-L124 HydrophobicContact CG-CD2 3.96Å; W112-L124 HydrophobicContact CH2-CD1 4.13Å; W112-L124 HydrophobicContact CH2-CD2 4.18Å; W112-L124 HydrophobicContact CH2-CG 3.92Å; W112-L124 HydrophobicContact CZ2-CD2 4.15Å; W112-L124 HydrophobicContact CZ2-CG 4.38Å; W112-L124 HydrophobicContact CZ3-CD1 4.23Å; W112-L124 HydrophobicContact CZ3-CD2 3.89Å; W112-L124 HydrophobicContact CZ3-CG 3.54Å; L124-V132 CarbonylContact O-C 3.53Å; L124-V132 WeakPolarHBondContact O-CA 3.46Å; L124-A133 HydrophobicContact CB-CB 3.76Å; L124-A133 PolarHBondContact N-O 3.23Å; L124-A133 PolarHBondContact O-N 2.9Å; L124-I182 HydrophobicContact CD1-CD1 4.46Å
125	V	92.5	Very high	79.3	Confident	17 Å²	17	48.8 Å²	48.8	10%	0.103	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.2	174.9	-173.2	0	0	0	0	108.6	P110 L111 D113 R129 V132 G395	P110-V125 CarbonylContact C-O 3.49Å; P110-V125 VanDerWaalsContact CA-O 3.31Å; P110-V125 WeakPolarHBondContact CA-O 3.48Å; P110-V125 WeakPolarHBondContact CB-O 3.31Å; L111-V125 PolarHBondContact N-O 2.89Å; L111-V125 PolarHBondContact O-N 2.66Å; D113-V125 HydrophobicContact CB-CG2 4.46Å; V125-R129 HydrophobicContact CG1-CB 4.25Å; V125-R129 HydrophobicContact CG1-CG 4.23Å; V125-V132 HydrophobicContact CG2-CG2 4.5Å; V125-G395 WeakPolarHBondContact CG2-O 3.37Å
126	T	93.7	Very high	81.4	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.018	25%	0.247	C	C	.	.			trans	-64.3	153.7	174.9	56.1	0	0	0	0	110.8	S104 F105 N128 R129 Q130 F131	S104-T126 WeakPolarHBondContact O-CB 3.42Å; S104-T126 WeakPolarHBondContact O-CG2 2.79Å; F105-T126 HydrophobicContact CD1-CG2 3.9Å; F105-T126 HydrophobicContact CD2-CG2 4.03Å; F105-T126 HydrophobicContact CE1-CG2 3.68Å; F105-T126 HydrophobicContact CE2-CG2 3.8Å; F105-T126 HydrophobicContact CG-CG2 4.07Å; F105-T126 HydrophobicContact CZ-CG2 3.61Å; T126-N128 WeakPolarHBondContact CB-OD1 3.28Å; T126-N128 PolarHBondContact O-N 3.4Å; T126-N128 VanDerWaalsContact O-N 3.16Å; T126-N128 PolarHBondContact OG1-OD1 2.87Å; T126-R129 WeakPolarHBondContact O-CA 3.23Å; T126-R129 PolarHBondContact O-N 2.9Å; T126-Q130 PolarHBondContact OG1-N 3.03Å; T126-F131 HydrophobicContact CG2-CB 3.92Å; T126-F131 HydrophobicContact CG2-CD2 4.28Å; T126-F131 PolarHBondContact N-O 2.82Å; T126-F131 VanDerWaalsContact N-O 3.08Å; T126-F131 PolarHBondContact OG1-N 2.96Å; T126-F131 VanDerWaalsContact OG1-N 3.17Å; T126-F131 PolarHBondContact OG1-O 3.49Å
127	Y	90	Very high	83.7	Confident	72 Å²	72	42 Å²	42	28%	0.282	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-32.4	-174.9	72.8	-85.8	0	0	0	113.1	D103 S104 R107 H108 R129	D103-Y127 WeakPolarHBondContact O-CE1 3.39Å; D103-Y127 PolarHBondContact OD2-OH 3.14Å; S104-Y127 WeakPolarHBondContact O-CD1 3.03Å; S104-Y127 WeakPolarHBondContact O-CE1 3.45Å; R107-Y127 HydrophobicContact CB-CE1 3.81Å; R107-Y127 WeakPolarHBondContact CD-OH 3.46Å; R107-Y127 PolarHBondContact NE-OH 3.09Å; H108-Y127 HydrophobicContact CB-CD1 3.73Å; H108-Y127 HydrophobicContact CB-CD2 4.46Å; H108-Y127 HydrophobicContact CB-CE1 4.5Å; H108-Y127 HydrophobicContact CB-CG 3.73Å; H108-Y127 AromaticContact ND1-CD1 3.84Å; H108-Y127 AromaticContact ND1-CD2 3.36Å; H108-Y127 WeakPolarHBondContact ND1-CD2 3.49Å; H108-Y127 AromaticContact ND1-CE2 3.6Å; H108-Y127 AromaticContact ND1-CG 3.52Å; H108-Y127 AromaticContact ND1-CZ 3.95Å; Y127-R129 VanDerWaalsContact C-N 3.3Å
128	N	90.2	Very high	85.9	Confident	36 Å²	36	43.9 Å²	43.9	19%	0.193	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	4.9	175.5	68.6	-12.3	0	0	0	113.8	S104 T126 Q130 P191	S104-N128 PolarHBondContact OG-ND2 3.49Å; T126-N128 WeakPolarHBondContact CB-OD1 3.28Å; T126-N128 PolarHBondContact O-N 3.4Å; T126-N128 VanDerWaalsContact O-N 3.16Å; T126-N128 PolarHBondContact OG1-OD1 2.87Å; N128-Q130 VanDerWaalsContact ND2-CD 3.3Å; N128-Q130 PolarHBondContact ND2-NE2 3.32Å; N128-Q130 PolarHBondContact O-N 3.24Å; N128-Q130 VanDerWaalsContact O-N 3.08Å; N128-Q130 PolarHBondContact OD1-N 3.32Å; N128-P191 WeakPolarHBondContact O-CB 3.33Å
129	R	91.1	Very high	88.1	Confident	88 Å²	88	40.6 Å²	40.6	33%	0.332	23%	0.227	S	C	.	.	S	Bend	trans	55.6	21.5	179.1	-51.2	-177.8	-173.3	-171.9	6	115.5	V125 T126 Y127 N187 P191 L399	V125-R129 HydrophobicContact CG1-CB 4.25Å; V125-R129 HydrophobicContact CG1-CG 4.23Å; T126-R129 WeakPolarHBondContact O-CA 3.23Å; T126-R129 PolarHBondContact O-N 2.9Å; Y127-R129 VanDerWaalsContact C-N 3.3Å; R129-N187 WeakPolarHBondContact O-CB 3.34Å; R129-N187 PolarHBondContact O-ND2 3.46Å; R129-P191 HydrophobicContact CB-CB 3.97Å; R129-L399 VanDerWaalsContact NH2-CB 3.32Å; R129-L399 PolarHBondContact NH2-O 2.98Å
130	Q	92.8	Very high	90.1	Very high	39 Å²	39	37.4 Å²	37.4	18%	0.182	20%	0.202	C	C	.	.	S	Bend	trans	-80.9	-29.1	177.9	-67.9	-173.9	10.5	0	0	113.4	T126 N128 N187 P191 L495	T126-Q130 PolarHBondContact OG1-N 3.03Å; N128-Q130 VanDerWaalsContact ND2-CD 3.3Å; N128-Q130 PolarHBondContact ND2-NE2 3.32Å; N128-Q130 PolarHBondContact O-N 3.24Å; N128-Q130 VanDerWaalsContact O-N 3.08Å; N128-Q130 PolarHBondContact OD1-N 3.32Å; Q130-N187 VanDerWaalsContact O-CB 3.31Å; Q130-N187 WeakPolarHBondContact O-CB 3.26Å; Q130-N187 PolarHBondContact O-N 3.38Å; Q130-P191 HydrophobicContact CG-CB 4.5Å; Q130-P191 HydrophobicContact CG-CG 4.33Å; Q130-L495 HydrophobicContact CG-CD2 4.08Å
131	F	95.2	Very high	91.7	Very high	2 Å²	2	35 Å²	35	1%	0.009	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	147.9	-173.9	-50.8	-63.4	0	0	0	112.3	V96 Y101 S104 F105 T126 L168 V184 M185	V96-F131 HydrophobicContact CG1-CE1 4.04Å; V96-F131 HydrophobicContact CG1-CZ 3.81Å; V96-F131 HydrophobicContact CG2-CE1 4.16Å; Y101-F131 HydrophobicContact CD2-CD1 4.47Å; Y101-F131 HydrophobicContact CD2-CD2 4.21Å; Y101-F131 HydrophobicContact CD2-CE1 4.3Å; Y101-F131 HydrophobicContact CD2-CE2 4.03Å; Y101-F131 HydrophobicContact CD2-CG 4.44Å; Y101-F131 HydrophobicContact CD2-CZ 4.09Å; S104-F131 WeakPolarHBondContact OG-CE2 3.15Å; F105-F131 HydrophobicContact CE2-CB 3.97Å; F105-F131 HydrophobicContact CE2-CD2 4.11Å; F105-F131 HydrophobicContact CE2-CG 4.27Å; F105-F131 HydrophobicContact CZ-CB 4.04Å; T126-F131 HydrophobicContact CG2-CB 3.92Å; T126-F131 HydrophobicContact CG2-CD2 4.28Å; T126-F131 PolarHBondContact N-O 2.82Å; T126-F131 VanDerWaalsContact N-O 3.08Å; T126-F131 PolarHBondContact OG1-N 2.96Å; T126-F131 VanDerWaalsContact OG1-N 3.17Å; T126-F131 PolarHBondContact OG1-O 3.49Å; F131-L168 HydrophobicContact CD1-CD1 3.27Å; F131-L168 HydrophobicContact CE1-CD1 3.39Å; F131-L168 HydrophobicContact CG-CD1 4.31Å; F131-L168 HydrophobicContact CZ-CD1 4.49Å; F131-V184 HydrophobicContact CB-CG1 4.2Å; F131-M185 WeakPolarHBondContact CA-O 3.35Å
132	V	94.3	Very high	92.7	Very high	13 Å²	13	39.9 Å²	39.9	8%	0.079	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.8	177.7	179.8	0	0	0	0	109	F123 L124 V125 V184 M185 N187 L396	F123-V132 HydrophobicContact CB-CG1 4.21Å; F123-V132 HydrophobicContact CD1-CG1 3.61Å; F123-V132 HydrophobicContact CE1-CG1 4.44Å; F123-V132 HydrophobicContact CG-CG1 4.33Å; L124-V132 CarbonylContact O-C 3.53Å; L124-V132 WeakPolarHBondContact O-CA 3.46Å; V125-V132 HydrophobicContact CG2-CG2 4.5Å; V132-V184 CarbonylContact O-C 3.57Å; V132-V184 WeakPolarHBondContact O-CA 3.44Å; V132-M185 HydrophobicContact CB-CG 4.32Å; V132-M185 PolarHBondContact N-O 3.24Å; V132-M185 PolarHBondContact O-N 2.94Å; V132-N187 HydrophobicContact CG2-CB 4.03Å; V132-L396 HydrophobicContact CG2-CD2 4.3Å
133	A	94.9	Very high	93.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.008	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	103.2	175.6	0	0	0	0	0	109.2	F105 F123 L124 I182 V184	F105-A133 HydrophobicContact CE1-CB 4.45Å; F123-A133 WeakPolarHBondContact CA-O 3.38Å; L124-A133 HydrophobicContact CB-CB 3.76Å; L124-A133 PolarHBondContact N-O 3.23Å; L124-A133 PolarHBondContact O-N 2.9Å; A133-I182 HydrophobicContact CB-CG2 3.55Å; A133-V184 HydrophobicContact CB-CG2 4.15Å
134	K	93.5	Very high	93.3	Very high	10 Å²	10	33.1 Å²	33.1	4%	0.043	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	131.4	177	-174.4	-177.3	179	-166.6	0	110.1	S121 F123 I136 E140 I182 L183 M185 D518	S121-K134 WeakPolarHBondContact OG-CE 3.22Å; S121-K134 WeakPolarHBondContact OG-CG 3.24Å; F123-K134 HydrophobicContact CD1-CB 3.81Å; F123-K134 HydrophobicContact CD1-CG 3.92Å; F123-K134 HydrophobicContact CE1-CB 3.69Å; F123-K134 HydrophobicContact CE1-CD 3.75Å; F123-K134 HydrophobicContact CE1-CG 3.46Å; F123-K134 VanDerWaalsContact CE1-CG 3.46Å; F123-K134 HydrophobicContact CZ-CD 4.09Å; F123-K134 HydrophobicContact CZ-CG 4.02Å; K134-I136 HydrophobicContact CB-CG2 4.34Å; K134-I136 HydrophobicContact CD-CG2 3.8Å; K134-I136 HydrophobicContact CG-CG2 3.86Å; K134-E140 IonicContact NZ-OE1 2.65Å; K134-E140 PolarHBondContact NZ-OE1 3.11Å; K134-E140 VanDerWaalsContact NZ-OE1 3.16Å; K134-I182 WeakPolarHBondContact O-CA 3.24Å; K134-L183 PolarHBondContact N-O 2.69Å; K134-L183 PolarHBondContact O-N 2.84Å; K134-M185 HydrophobicContact CB-CE 3.78Å; K134-M185 HydrophobicContact CD-CE 4.5Å; K134-D518 IonicContact NZ-OD1 2.89Å; K134-D518 PolarHBondContact NZ-OD1 3.28Å
135	T	93.7	Very high	93.5	Very high	29 Å²	29	36 Å²	36	18%	0.178	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	120.6	167.3	-48.8	0	0	0	0	109	S121 K122 Y181	S121-T135 WeakPolarHBondContact CB-O 3.33Å; S121-T135 PolarHBondContact OG-O 3.49Å; S121-T135 VanDerWaalsContact OG-O 3.04Å; K122-T135 WeakPolarHBondContact O-CB 3.24Å; K122-T135 PolarHBondContact O-N 3.44Å; K122-T135 PolarHBondContact O-OG1 3.17Å; T135-Y181 CarbonylContact C-O 3.54Å; T135-Y181 WeakPolarHBondContact CA-O 3.23Å
136	I	94	Very high	93.6	Very high	9 Å²	9	39 Å²	39	5%	0.046	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	161.7	-177.1	62	167.2	0	0	0	112.3	K134 E140 V141 L170 Y181 L183 L520	K134-I136 HydrophobicContact CB-CG2 4.34Å; K134-I136 HydrophobicContact CD-CG2 3.8Å; K134-I136 HydrophobicContact CG-CG2 3.86Å; I136-E140 HydrophobicContact CB-CB 3.9Å; I136-E140 HydrophobicContact CD1-CB 4.14Å; I136-E140 HydrophobicContact CG1-CB 4.47Å; I136-V141 HydrophobicContact CD1-CG2 3.53Å; I136-V141 HydrophobicContact CG1-CG2 3.92Å; I136-L170 HydrophobicContact CD1-CD1 3.96Å; I136-Y181 PolarHBondContact N-O 3.32Å; I136-L183 HydrophobicContact CD1-CB 3.94Å; I136-L183 HydrophobicContact CD1-CD2 4.31Å; I136-L183 HydrophobicContact CG1-CB 4.37Å; I136-L183 HydrophobicContact CG2-CB 4.29Å; I136-L520 HydrophobicContact CD1-CD1 4.41Å; I136-L520 HydrophobicContact CG2-CD1 4.49Å
137	S	93.3	Very high	93.6	Very high	45 Å²	45	38.8 Å²	38.8	32%	0.315	19%	0.192	S	C	.	.			trans	-77.3	162.5	174.8	57	0	0	0	0	112.9	E139 E140 V141	S137-E139 VanDerWaalsContact C-N 3.26Å; S137-E139 PolarHBondContact O-N 3.34Å; S137-E140 WeakPolarHBondContact CB-OE2 3.01Å; S137-E140 PolarHBondContact N-OE2 2.9Å; S137-E140 PolarHBondContact O-N 3.24Å; S137-E140 WeakPolarHBondContact OG-CB 3.49Å; S137-E140 VanDerWaalsContact OG-CG 3.3Å; S137-E140 WeakPolarHBondContact OG-CG 3.2Å; S137-E140 PolarHBondContact OG-N 3.37Å; S137-E140 PolarHBondContact OG-OE2 3.33Å; S137-V141 WeakPolarHBondContact O-CG2 3.44Å; S137-V141 PolarHBondContact O-N 3.29Å; S137-V141 VanDerWaalsContact O-N 3.08Å
138	S	93.4	Very high	93.9	Very high	62 Å²	62	35.5 Å²	35.5	43%	0.434	18%	0.179	S	C	.	.	H	α-helix	trans	-55.3	-40	170.4	28.9	0	0	0	0	112.7	V141 E142	S138-V141 WeakPolarHBondContact O-CB 3.47Å; S138-V141 PolarHBondContact O-N 2.84Å; S138-E142 PolarHBondContact O-N 3.19Å
139	E	91.9	Very high	94.2	Very high	91 Å²	91	37.7 Å²	37.7	43%	0.425	19%	0.188	S	C	.	.	H	α-helix	trans	-69.6	-36	178.4	-62.3	98.1	122.2	0	0	112.5	S137 V141 E142 Q143 R526	S137-E139 VanDerWaalsContact C-N 3.26Å; S137-E139 PolarHBondContact O-N 3.34Å; E139-V141 VanDerWaalsContact C-N 3.32Å; E139-E142 PolarHBondContact O-N 3.06Å; E139-Q143 WeakPolarHBondContact O-CB 3.3Å; E139-Q143 PolarHBondContact O-N 3.03Å; E139-R526 IonicContact OE1-NH1 2.61Å; E139-R526 IonicContact OE1-NH2 2.87Å
140	E	94.1	Very high	94.4	Very high	33 Å²	33	37.8 Å²	37.8	15%	0.154	19%	0.192	C	C	.	.	H	α-helix	trans	-66.5	-32.6	171.4	-80.1	169	112.4	0	0	112.1	K134 I136 S137 M144 L520	K134-E140 IonicContact NZ-OE1 2.65Å; K134-E140 PolarHBondContact NZ-OE1 3.11Å; K134-E140 VanDerWaalsContact NZ-OE1 3.16Å; I136-E140 HydrophobicContact CB-CB 3.9Å; I136-E140 HydrophobicContact CD1-CB 4.14Å; I136-E140 HydrophobicContact CG1-CB 4.47Å; S137-E140 WeakPolarHBondContact CB-OE2 3.01Å; S137-E140 PolarHBondContact N-OE2 2.9Å; S137-E140 PolarHBondContact O-N 3.24Å; S137-E140 WeakPolarHBondContact OG-CB 3.49Å; S137-E140 VanDerWaalsContact OG-CG 3.3Å; S137-E140 WeakPolarHBondContact OG-CG 3.2Å; S137-E140 PolarHBondContact OG-N 3.37Å; S137-E140 PolarHBondContact OG-OE2 3.33Å; E140-M144 WeakPolarHBondContact O-CB 3.43Å; E140-M144 PolarHBondContact O-N 3.01Å; E140-L520 HydrophobicContact CB-CB 4.29Å; E140-L520 HydrophobicContact CB-CD1 3.93Å; E140-L520 HydrophobicContact CG-CB 3.92Å; E140-L520 HydrophobicContact CG-CD1 4.21Å
141	V	96	Very high	94.7	Very high	9 Å²	9	35.9 Å²	35.9	6%	0.055	18%	0.183	C	C	.	.	H	α-helix	trans	-68	-44.9	173.6	171.3	0	0	0	0	111.3	I136 S137 S138 E139 Q143 M144 H145 L170 Y181	I136-V141 HydrophobicContact CD1-CG2 3.53Å; I136-V141 HydrophobicContact CG1-CG2 3.92Å; S137-V141 WeakPolarHBondContact O-CG2 3.44Å; S137-V141 PolarHBondContact O-N 3.29Å; S137-V141 VanDerWaalsContact O-N 3.08Å; S138-V141 WeakPolarHBondContact O-CB 3.47Å; S138-V141 PolarHBondContact O-N 2.84Å; E139-V141 VanDerWaalsContact C-N 3.32Å; V141-Q143 VanDerWaalsContact C-N 3.31Å; V141-Q143 PolarHBondContact O-N 3.13Å; V141-M144 PolarHBondContact O-N 3.31Å; V141-H145 PolarHBondContact O-CD2 3.48Å; V141-H145 PolarHBondContact O-N 3.41Å; V141-L170 HydrophobicContact CG1-CD2 4.41Å; V141-L170 HydrophobicContact CG2-CD1 4.33Å; V141-Y181 HydrophobicContact CB-CD1 4.48Å; V141-Y181 HydrophobicContact CG1-CD1 4.48Å; V141-Y181 HydrophobicContact CG2-CD1 3.6Å; V141-Y181 HydrophobicContact CG2-CD2 4.43Å; V141-Y181 HydrophobicContact CG2-CE1 4.28Å; V141-Y181 HydrophobicContact CG2-CG 3.66Å
142	E	94.9	Very high	94.8	Very high	118 Å²	118	37.2 Å²	37.2	55%	0.551	19%	0.188	S	C	*	.	H	α-helix	trans	-59.8	-44.6	174.3	-163.8	-163.9	155.3	0	0	110.6	S138 E139 M144 H145 Q146	S138-E142 PolarHBondContact O-N 3.19Å; E139-E142 PolarHBondContact O-N 3.06Å; E142-M144 PolarHBondContact O-N 2.97Å; E142-H145 PolarHBondContact O-N 2.79Å; E142-Q146 WeakPolarHBondContact O-CG 3.34Å; E142-Q146 PolarHBondContact O-N 3.27Å; E142-Q146 PolarHBondContact OE1-NE2 3.12Å
143	Q	93.6	Very high	94.8	Very high	16 Å²	16	38.9 Å²	38.9	8%	0.075	20%	0.201	C	C	.	.	H	α-helix	trans	-64.1	-38.7	176.9	-173.9	52.8	53.3	0	0	112.9	E139 V141 H145 Q146 M147 L323 L520 R522	E139-Q143 WeakPolarHBondContact O-CB 3.3Å; E139-Q143 PolarHBondContact O-N 3.03Å; V141-Q143 VanDerWaalsContact C-N 3.31Å; V141-Q143 PolarHBondContact O-N 3.13Å; Q143-H145 VanDerWaalsContact C-N 3.33Å; Q143-H145 PolarHBondContact O-N 3.1Å; Q143-Q146 PolarHBondContact O-N 3.07Å; Q143-M147 WeakPolarHBondContact O-CG 3.49Å; Q143-M147 PolarHBondContact O-N 3.12Å; Q143-L323 HydrophobicContact CG-CD2 4.23Å; Q143-L520 WeakPolarHBondContact CG-O 3.25Å; Q143-R522 HydrophobicContact CG-CB 4.3Å
144	M	95.3	Very high	94.9	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-60.3	-43.9	174.6	-175.1	68.7	-141.4	0	0	110.8	F87 E140 V141 E142 M147 L148 F167 L170 L183 L520	F87-M144 HydrophobicContact CZ-CE 4.34Å; E140-M144 WeakPolarHBondContact O-CB 3.43Å; E140-M144 PolarHBondContact O-N 3.01Å; V141-M144 PolarHBondContact O-N 3.31Å; E142-M144 PolarHBondContact O-N 2.97Å; M144-M147 HydrophobicContact CE-CE 4.29Å; M144-M147 PolarHBondContact O-N 3.08Å; M144-M147 HydrophobicContact SD-CE 3.78Å; M144-L148 HydrophobicContact CE-CD1 3.56Å; M144-L148 WeakPolarHBondContact O-CB 3.33Å; M144-L148 PolarHBondContact O-N 3.07Å; M144-L148 VanDerWaalsContact O-N 3.14Å; M144-F167 HydrophobicContact CE-CD2 3.6Å; M144-F167 HydrophobicContact CE-CE2 4.04Å; M144-F167 HydrophobicContact CE-CG 4.21Å; M144-F167 HydrophobicContact SD-CD2 3.93Å; M144-F167 HydrophobicContact SD-CE2 3.88Å; M144-F167 HydrophobicContact SD-CG 4.41Å; M144-F167 HydrophobicContact SD-CZ 4.33Å; M144-L170 HydrophobicContact CB-CD2 4.46Å; M144-L170 HydrophobicContact CG-CD2 4.04Å; M144-L183 HydrophobicContact SD-CD1 4.44Å; M144-L183 HydrophobicContact SD-CD2 4.46Å; M144-L520 HydrophobicContact CB-CD2 4.2Å; M144-L520 HydrophobicContact SD-CD2 3.97Å
145	H	95.4	Very high	95.1	Very high	61 Å²	61	40.4 Å²	40.4	28%	0.282	21%	0.206	S	C	.	.	H	α-helix	trans	-64.4	-39.3	174.3	-84.1	-74	0	0	0	113	Y82 C83 V141 E142 Q143 M147	Y82-H145 AromaticContact CD1-CE1 3.71Å; Y82-H145 AromaticContact CD1-NE2 3.12Å; Y82-H145 WeakPolarHBondContact CD1-NE2 3.4Å; Y82-H145 AromaticContact CE1-NE2 3.73Å; Y82-H145 AromaticContact CG-NE2 3.74Å; C83-H145 PolarHBondContact SG-CE1 3.46Å; V141-H145 PolarHBondContact O-CD2 3.48Å; V141-H145 PolarHBondContact O-N 3.41Å; E142-H145 PolarHBondContact O-N 2.79Å; Q143-H145 VanDerWaalsContact C-N 3.33Å; Q143-H145 PolarHBondContact O-N 3.1Å; H145-M147 PolarHBondContact O-N 3.34Å
146	Q	93.7	Very high	95.2	Very high	80 Å²	80	41.3 Å²	41.3	37%	0.374	21%	0.212	S	C	.	.	H	α-helix	trans	-65.3	-19.6	178.8	-74.4	178.1	29.1	0	0	114.2	E142 Q143	E142-Q146 WeakPolarHBondContact O-CG 3.34Å; E142-Q146 PolarHBondContact O-N 3.27Å; E142-Q146 PolarHBondContact OE1-NE2 3.12Å; Q143-Q146 PolarHBondContact O-N 3.07Å
147	M	94.4	Very high	95.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.8	2.6	-178.1	75.6	-176.6	-151.8	0	0	113.9	Q143 M144 H145 Y151 F167 L323 I519 L520	Q143-M147 WeakPolarHBondContact O-CG 3.49Å; Q143-M147 PolarHBondContact O-N 3.12Å; M144-M147 HydrophobicContact CE-CE 4.29Å; M144-M147 PolarHBondContact O-N 3.08Å; M144-M147 HydrophobicContact SD-CE 3.78Å; H145-M147 PolarHBondContact O-N 3.34Å; M147-Y151 WeakPolarHBondContact O-CB 3.34Å; M147-Y151 PolarHBondContact O-N 3.5Å; M147-F167 HydrophobicContact CE-CE2 3.74Å; M147-F167 HydrophobicContact CE-CZ 4.31Å; M147-L323 HydrophobicContact SD-CD1 3.76Å; M147-L323 HydrophobicContact SD-CD2 4.49Å; M147-I519 HydrophobicContact CE-CD1 3.89Å; M147-I519 HydrophobicContact CE-CG1 4.31Å; M147-L520 HydrophobicContact CE-CD2 3.45Å; M147-L520 VanDerWaalsContact CE-CD2 3.45Å; M147-L520 HydrophobicContact SD-CD2 3.99Å
148	L	96.7	Very high	95.1	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-70.9	-34.7	-170.2	-177.6	65.2	0	0	0	112.8	F55 C83 V86 F87 L90 M144 Y152	F55-L148 HydrophobicContact CD1-CB 4.29Å; F55-L148 HydrophobicContact CD1-CD2 3.96Å; F55-L148 HydrophobicContact CD1-CG 3.79Å; F55-L148 HydrophobicContact CE1-CG 4.14Å; C83-L148 HydrophobicContact CB-CD2 3.7Å; C83-L148 WeakPolarHBondContact SG-CD2 3.4Å; V86-L148 HydrophobicContact CB-CD2 4.45Å; V86-L148 HydrophobicContact CG1-CD1 4.08Å; V86-L148 HydrophobicContact CG1-CD2 4.14Å; V86-L148 HydrophobicContact CG1-CG 4.09Å; F87-L148 HydrophobicContact CZ-CD1 4.23Å; L90-L148 HydrophobicContact CD1-CD1 4.38Å; M144-L148 HydrophobicContact CE-CD1 3.56Å; M144-L148 WeakPolarHBondContact O-CB 3.33Å; M144-L148 PolarHBondContact O-N 3.07Å; M144-L148 VanDerWaalsContact O-N 3.14Å; L148-Y152 VanDerWaalsContact O-CB 3.25Å; L148-Y152 WeakPolarHBondContact O-CB 3.11Å; L148-Y152 PolarHBondContact O-N 3.31Å
149	E	96.3	Very high	95	Very high	82 Å²	82	52.1 Å²	52.1	38%	0.383	26%	0.255	S	S	.	.	H	α-helix	trans	-70.1	-44.5	179.1	-168.7	171	166.8	0	0	110.3	K52 F55 S153	K52-E149 WeakPolarHBondContact CE-OE1 3.09Å; K52-E149 IonicContact NZ-OE1 2.76Å; F55-E149 HydrophobicContact CD1-CB 4.06Å; F55-E149 HydrophobicContact CE1-CB 4.18Å; F55-E149 HydrophobicContact CE1-CG 4.45Å; F55-E149 HydrophobicContact CG-CB 4.49Å; F55-E149 HydrophobicContact CZ-CG 4.46Å; E149-S153 WeakPolarHBondContact O-CB 3.07Å; E149-S153 PolarHBondContact O-N 3.04Å
150	E	96	Very high	94.8	Very high	89 Å²	89	48 Å²	48	42%	0.416	24%	0.237	S	C	.	.	H	α-helix	trans	-64.3	-47.4	174.6	-64	74.6	-167.4	0	0	111.4	S153 Y154 F317	E150-S153 WeakPolarHBondContact O-CB 3.45Å; E150-S153 PolarHBondContact O-N 3.05Å; E150-Y154 WeakPolarHBondContact O-CB 3.49Å; E150-Y154 PolarHBondContact O-N 3.44Å; E150-F317 HydrophobicContact CB-CE2 4.06Å
151	Y	97.4	Very high	94.6	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-59.9	-48	176.4	175.6	-95.5	0	0	0	111	L90 F94 M147 S153 Y154 I155 P165 Q166 F167 F317	L90-Y151 HydrophobicContact CD1-CD1 4.33Å; L90-Y151 HydrophobicContact CD1-CE1 3.97Å; L90-Y151 HydrophobicContact CD2-CD1 4.31Å; L90-Y151 HydrophobicContact CD2-CE1 3.88Å; F94-Y151 HydrophobicContact CZ-CE1 4.5Å; F94-Y151 WeakPolarHBondContact CZ-OH 3.03Å; M147-Y151 WeakPolarHBondContact O-CB 3.34Å; M147-Y151 PolarHBondContact O-N 3.5Å; Y151-S153 VanDerWaalsContact C-N 3.33Å; Y151-S153 PolarHBondContact O-N 3.47Å; Y151-Y154 WeakPolarHBondContact O-CB 3.21Å; Y151-Y154 PolarHBondContact O-N 3.03Å; Y151-I155 HydrophobicContact CD1-CG1 4.15Å; Y151-I155 HydrophobicContact CD2-CG1 4.42Å; Y151-I155 HydrophobicContact CE1-CG1 3.77Å; Y151-I155 HydrophobicContact CE2-CD1 4.1Å; Y151-I155 HydrophobicContact CE2-CG1 4.1Å; Y151-I155 HydrophobicContact CG-CG1 4.46Å; Y151-I155 WeakPolarHBondContact O-CG1 3.13Å; Y151-I155 PolarHBondContact O-N 2.84Å; Y151-P165 PolarHBondContact OH-O 3.37Å; Y151-Q166 WeakPolarHBondContact OH-CA 3.34Å; Y151-F167 HydrophobicContact CD1-CD2 4.36Å; Y151-F167 HydrophobicContact CD2-CD2 4.41Å; Y151-F167 HydrophobicContact CD2-CE2 4.4Å; Y151-F167 HydrophobicContact CE1-CB 4.44Å; Y151-F167 AromaticContact CE1-CD2 3.79Å; Y151-F167 HydrophobicContact CE1-CD2 3.79Å; Y151-F167 AromaticContact CE2-CD2 3.82Å; Y151-F167 HydrophobicContact CE2-CD2 3.82Å; Y151-F167 AromaticContact CE2-CE2 3.96Å; Y151-F167 HydrophobicContact CE2-CE2 3.96Å; Y151-F167 AromaticContact CZ-CD2 3.47Å; Y151-F167 VanDerWaalsContact CZ-CD2 3.47Å; Y151-F167 PolarHBondContact OH-N 2.89Å; Y151-F317 HydrophobicContact CD2-CE1 4.35Å; Y151-F317 HydrophobicContact CD2-CZ 4.23Å
152	Y	97	Very high	94.6	Very high	30 Å²	30	51 Å²	51	12%	0.118	25%	0.25	C	S	.	.	H	α-helix	trans	-59.8	-44.6	176.5	178	-95.3	0	0	0	111.4	L50 F55 V86 S89 L90 R93 L148 Y154 I155 V156	L50-Y152 HydrophobicContact CD1-CD1 4.26Å; L50-Y152 HydrophobicContact CD1-CD2 4.06Å; L50-Y152 HydrophobicContact CD1-CE1 3.78Å; L50-Y152 HydrophobicContact CD1-CE2 3.56Å; L50-Y152 HydrophobicContact CD1-CG 4.39Å; L50-Y152 VanDerWaalsContact CD1-CZ 3.41Å; F55-Y152 HydrophobicContact CE1-CD1 4.48Å; F55-Y152 HydrophobicContact CE1-CG 4.23Å; F55-Y152 AromaticContact CZ-CD1 3.86Å; F55-Y152 HydrophobicContact CZ-CD1 3.86Å; F55-Y152 HydrophobicContact CZ-CG 4.02Å; V86-Y152 HydrophobicContact CG1-CD2 4.12Å; V86-Y152 HydrophobicContact CG1-CG 4.45Å; S89-Y152 PolarHBondContact OG-OH 3.21Å; L90-Y152 HydrophobicContact CD2-CD2 3.86Å; L90-Y152 HydrophobicContact CG-CD2 4.1Å; R93-Y152 PolarHBondContact NE-OH 2.74Å; R93-Y152 PolarHBondContact NH2-OH 3.06Å; L148-Y152 VanDerWaalsContact O-CB 3.25Å; L148-Y152 WeakPolarHBondContact O-CB 3.11Å; L148-Y152 PolarHBondContact O-N 3.31Å; Y152-Y154 VanDerWaalsContact C-N 3.33Å; Y152-Y154 PolarHBondContact O-N 2.95Å; Y152-I155 PolarHBondContact O-N 2.97Å; Y152-V156 HydrophobicContact CD1-CG2 3.91Å; Y152-V156 HydrophobicContact CE1-CG2 3.52Å; Y152-V156 HydrophobicContact CE2-CG2 4.17Å; Y152-V156 HydrophobicContact CG-CG2 4.38Å; Y152-V156 WeakPolarHBondContact O-CG2 3.31Å; Y152-V156 PolarHBondContact O-N 2.6Å
153	S	96.2	Very high	94.7	Very high	48 Å²	48	46.1 Å²	46.1	34%	0.336	23%	0.228	S	C	.	.	H	α-helix	trans	-58.8	-41.7	175	-171.9	0	0	0	0	112.4	E149 E150 Y151 V156 K157	E149-S153 WeakPolarHBondContact O-CB 3.07Å; E149-S153 PolarHBondContact O-N 3.04Å; E150-S153 WeakPolarHBondContact O-CB 3.45Å; E150-S153 PolarHBondContact O-N 3.05Å; Y151-S153 VanDerWaalsContact C-N 3.33Å; Y151-S153 PolarHBondContact O-N 3.47Å; S153-V156 PolarHBondContact O-N 2.84Å; S153-K157 VanDerWaalsContact O-CG 3.29Å; S153-K157 WeakPolarHBondContact O-CG 3.33Å; S153-K157 PolarHBondContact O-N 2.73Å; S153-K157 VanDerWaalsContact O-N 3.08Å
154	Y	96.9	Very high	94.9	Very high	40 Å²	40	45.3 Å²	45.3	16%	0.157	23%	0.225	C	C	.	.	H	α-helix	trans	-63.8	-48.9	175.9	-176.1	-104.1	0	0	0	112	E150 Y151 Y152 V156 K157 G158 L164 C313 D314 F317	E150-Y154 WeakPolarHBondContact O-CB 3.49Å; E150-Y154 PolarHBondContact O-N 3.44Å; Y151-Y154 WeakPolarHBondContact O-CB 3.21Å; Y151-Y154 PolarHBondContact O-N 3.03Å; Y152-Y154 VanDerWaalsContact C-N 3.33Å; Y152-Y154 PolarHBondContact O-N 2.95Å; Y154-V156 VanDerWaalsContact C-N 3.3Å; Y154-V156 PolarHBondContact O-N 2.68Å; Y154-K157 PolarHBondContact O-N 2.92Å; Y154-G158 PolarHBondContact O-N 3.06Å; Y154-L164 HydrophobicContact CD1-CD1 3.91Å; Y154-L164 HydrophobicContact CE1-CD1 3.64Å; Y154-C313 WeakPolarHBondContact OH-CB 3.16Å; Y154-C313 PolarHBondContact OH-O 2.74Å; Y154-D314 VanDerWaalsContact CE1-OD1 3.28Å; Y154-D314 WeakPolarHBondContact CE1-OD1 3.42Å; Y154-D314 VanDerWaalsContact CZ-OD1 3.32Å; Y154-D314 WeakPolarHBondContact OH-CA 3.31Å; Y154-D314 PolarHBondContact OH-N 3.03Å; Y154-D314 VanDerWaalsContact OH-N 3.11Å; Y154-D314 PolarHBondContact OH-OD1 2.86Å; Y154-F317 HydrophobicContact CD1-CD2 4.29Å; Y154-F317 HydrophobicContact CD1-CG 4.21Å; Y154-F317 HydrophobicContact CD2-CB 3.94Å; Y154-F317 AromaticContact CD2-CD2 3.89Å; Y154-F317 HydrophobicContact CD2-CD2 3.89Å; Y154-F317 HydrophobicContact CD2-CG 4.1Å; Y154-F317 HydrophobicContact CE1-CB 4.5Å; Y154-F317 HydrophobicContact CE2-CB 3.89Å; Y154-F317 HydrophobicContact CE2-CG 4.46Å; Y154-F317 HydrophobicContact CG-CB 4.3Å; Y154-F317 AromaticContact CG-CD2 3.7Å; Y154-F317 HydrophobicContact CG-CD2 3.7Å; Y154-F317 HydrophobicContact CG-CE2 4.25Å; Y154-F317 AromaticContact CG-CG 3.99Å; Y154-F317 HydrophobicContact CG-CG 3.99Å
155	I	96.9	Very high	94.9	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	23%	0.227	C	C	.	.	H	α-helix	trans	-61.3	-36.8	176.8	-64	-52.2	0	0	0	112.2	L90 R93 F94 Y151 Y152 H159 G160 T162	L90-I155 HydrophobicContact CD2-CB 4.2Å; L90-I155 HydrophobicContact CD2-CG1 4.24Å; L90-I155 HydrophobicContact CD2-CG2 4.01Å; R93-I155 HydrophobicContact CB-CG2 4.34Å; F94-I155 HydrophobicContact CD1-CG2 4.41Å; F94-I155 HydrophobicContact CE1-CD1 3.82Å; F94-I155 HydrophobicContact CE1-CG1 4.19Å; F94-I155 HydrophobicContact CE1-CG2 3.62Å; F94-I155 HydrophobicContact CZ-CB 4.43Å; F94-I155 HydrophobicContact CZ-CD1 3.75Å; F94-I155 HydrophobicContact CZ-CG1 3.8Å; F94-I155 HydrophobicContact CZ-CG2 3.73Å; Y151-I155 HydrophobicContact CD1-CG1 4.15Å; Y151-I155 HydrophobicContact CD2-CG1 4.42Å; Y151-I155 HydrophobicContact CE1-CG1 3.77Å; Y151-I155 HydrophobicContact CE2-CD1 4.1Å; Y151-I155 HydrophobicContact CE2-CG1 4.1Å; Y151-I155 HydrophobicContact CG-CG1 4.46Å; Y151-I155 WeakPolarHBondContact O-CG1 3.13Å; Y151-I155 PolarHBondContact O-N 2.84Å; Y152-I155 PolarHBondContact O-N 2.97Å; I155-H159 PolarHBondContact O-N 3.19Å; I155-G160 PolarHBondContact O-N 3.35Å; I155-T162 HydrophobicContact CD1-CG2 3.62Å
156	V	95	Very high	95	Very high	48 Å²	48	42.9 Å²	42.9	29%	0.291	21%	0.214	S	C	.	.	H	α-helix	trans	-63.2	-47.8	174.8	174.9	0	0	0	0	110.9	R93 Y152 S153 Y154 H159	R93-V156 VanDerWaalsContact CZ-CG2 3.5Å; Y152-V156 HydrophobicContact CD1-CG2 3.91Å; Y152-V156 HydrophobicContact CE1-CG2 3.52Å; Y152-V156 HydrophobicContact CE2-CG2 4.17Å; Y152-V156 HydrophobicContact CG-CG2 4.38Å; Y152-V156 WeakPolarHBondContact O-CG2 3.31Å; Y152-V156 PolarHBondContact O-N 2.6Å; S153-V156 PolarHBondContact O-N 2.84Å; Y154-V156 VanDerWaalsContact C-N 3.3Å; Y154-V156 PolarHBondContact O-N 2.68Å; V156-H159 PolarHBondContact O-N 3.42Å
157	K	94.4	Very high	95.2	Very high	158 Å²	158	39.2 Å²	39.2	69%	0.687	20%	0.197	S	C	*	.	H	α-helix	trans	-67.9	-42	-179.1	-69.9	167.6	-176.1	176.2	0	112.7	S153 Y154 H159	S153-K157 VanDerWaalsContact O-CG 3.29Å; S153-K157 WeakPolarHBondContact O-CG 3.33Å; S153-K157 PolarHBondContact O-N 2.73Å; S153-K157 VanDerWaalsContact O-N 3.08Å; Y154-K157 PolarHBondContact O-N 2.92Å; K157-H159 VanDerWaalsContact C-N 3.27Å; K157-H159 PolarHBondContact O-CD2 2.83Å; K157-H159 PolarHBondContact O-N 2.87Å
158	G	91.4	Very high	95.4	Very high	29 Å²	29	39.2 Å²	39.2	30%	0.299	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	3.8	179.3	0	0	0	0	0	114.7	Y154 G160 Q161	Y154-G158 PolarHBondContact O-N 3.06Å; G158-G160 PolarHBondContact O-N 3.01Å; G158-G160 VanDerWaalsContact O-N 3.12Å; G158-Q161 WeakPolarHBondContact O-CB 3.24Å; G158-Q161 PolarHBondContact O-N 3.29Å
159	H	91.3	Very high	95.4	Very high	156 Å²	156	39.1 Å²	39.1	72%	0.722	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.8	36.4	-175.5	-60.6	-85.2	0	0	0	113.7	I155 V156 K157 Q161	I155-H159 PolarHBondContact O-N 3.19Å; V156-H159 PolarHBondContact O-N 3.42Å; K157-H159 VanDerWaalsContact C-N 3.27Å; K157-H159 PolarHBondContact O-CD2 2.83Å; K157-H159 PolarHBondContact O-N 2.87Å; H159-Q161 PolarHBondContact O-N 2.97Å
160	G	87.6	Confident	95.5	Very high	4 Å²	4	35.3 Å²	35.3	4%	0.041	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	1.1	-176	0	0	0	0	0	116.1	I155 G158 T162 H497	I155-G160 PolarHBondContact O-N 3.35Å; G158-G160 PolarHBondContact O-N 3.01Å; G158-G160 VanDerWaalsContact O-N 3.12Å; G160-T162 PolarHBondContact O-N 3.23Å; G160-T162 VanDerWaalsContact O-N 3.16Å; G160-H497 PolarHBondContact O-CE1 3.2Å
161	Q	91.3	Very high	95.6	Very high	102 Å²	102	31 Å²	31	48%	0.477	16%	0.159	S	C	.	.			trans	-80.8	91.7	175.3	-60.8	-63.7	-70.2	0	0	109.9	G158 H159	G158-Q161 WeakPolarHBondContact O-CB 3.24Å; G158-Q161 PolarHBondContact O-N 3.29Å; H159-Q161 PolarHBondContact O-N 2.97Å
162	T	95.7	Very high	95.7	Very high	3 Å²	3	33.1 Å²	33.1	2%	0.018	17%	0.166	C	C	.	.			trans	-150.1	152.5	-178.5	176.9	0	0	0	0	110.2	I155 G160 L164 D314 H497	I155-T162 HydrophobicContact CD1-CG2 3.62Å; G160-T162 PolarHBondContact O-N 3.23Å; G160-T162 VanDerWaalsContact O-N 3.16Å; T162-L164 HydrophobicContact CG2-CB 4.28Å; T162-L164 VanDerWaalsContact OG1-CB 3.27Å; T162-L164 WeakPolarHBondContact OG1-CB 3.24Å; T162-L164 VanDerWaalsContact OG1-CG 3.28Å; T162-L164 WeakPolarHBondContact OG1-CG 3.14Å; T162-L164 PolarHBondContact OG1-N 2.79Å; T162-D314 WeakPolarHBondContact CB-OD1 3.28Å; T162-D314 PolarHBondContact OG1-OD1 2.98Å; T162-D314 PolarHBondContact OG1-OD2 2.77Å; T162-H497 PolarHBondContact O-NE2 2.74Å
163	L	96.2	Very high	95.7	Very high	16 Å²	16	31.7 Å²	31.7	8%	0.084	16%	0.161	C	C	.	.	S	Bend	trans	-87.3	-8.2	168.1	-54.3	178	0	0	0	112	M307 T310 L311 D314 A515 I516	L163-M307 HydrophobicContact CD1-CG 4.23Å; L163-T310 HydrophobicContact CG-CG2 4.01Å; L163-L311 HydrophobicContact CD1-CB 3.96Å; L163-L311 HydrophobicContact CD1-CD1 4.18Å; L163-D314 WeakPolarHBondContact CA-OD2 3.43Å; L163-D314 VanDerWaalsContact CB-OD2 3.28Å; L163-D314 WeakPolarHBondContact CB-OD2 3.41Å; L163-D314 PolarHBondContact N-OD2 3.38Å; L163-A515 CarbonylContact O-C 3.53Å; L163-A515 WeakPolarHBondContact O-CA 3.43Å; L163-I516 HydrophobicContact CB-CG1 4.26Å; L163-I516 PolarHBondContact O-N 2.9Å
164	L	97	Very high	95.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.146	C	C	.	.	S	Bend	trans	-61.5	157.9	173	-62.7	172	0	0	0	111.4	Y154 T162 Q166 D314 F317 L318 Y498 I516 I519	Y154-L164 HydrophobicContact CD1-CD1 3.91Å; Y154-L164 HydrophobicContact CE1-CD1 3.64Å; T162-L164 HydrophobicContact CG2-CB 4.28Å; T162-L164 VanDerWaalsContact OG1-CB 3.27Å; T162-L164 WeakPolarHBondContact OG1-CB 3.24Å; T162-L164 VanDerWaalsContact OG1-CG 3.28Å; T162-L164 WeakPolarHBondContact OG1-CG 3.14Å; T162-L164 PolarHBondContact OG1-N 2.79Å; L164-Q166 PolarHBondContact O-N 2.64Å; L164-D314 HydrophobicContact CD2-CB 4.22Å; L164-D314 HydrophobicContact CG-CB 4.03Å; L164-F317 HydrophobicContact CD1-CD1 3.61Å; L164-F317 HydrophobicContact CD1-CE1 3.98Å; L164-F317 HydrophobicContact CD1-CG 4.41Å; L164-L318 HydrophobicContact CD2-CD1 3.87Å; L164-L318 HydrophobicContact CD2-CD2 3.91Å; L164-L318 HydrophobicContact CD2-CG 3.96Å; L164-Y498 PolarHBondContact O-OH 3.17Å; L164-I516 HydrophobicContact CD2-CB 4.37Å; L164-I516 HydrophobicContact CD2-CD1 3.98Å; L164-I516 HydrophobicContact CD2-CG2 4.48Å; L164-I519 HydrophobicContact CD2-CD1 4.29Å; L164-I519 HydrophobicContact CD2-CG2 4.23Å
165	P	96.8	Very high	95.5	Very high	8 Å²	8	28.1 Å²	28.1	5%	0.052	14%	0.141	C	C	.	.			trans	-59.9	128.6	172.1	-19.9	32.3	0	0	0	110.6	Y151 F167 M185 I516 I519	Y151-P165 PolarHBondContact OH-O 3.37Å; P165-F167 HydrophobicContact CB-CD1 4.23Å; P165-F167 HydrophobicContact CB-CE1 3.66Å; P165-F167 HydrophobicContact CB-CZ 3.91Å; P165-F167 HydrophobicContact CG-CE1 4.32Å; P165-F167 HydrophobicContact CG-CZ 4.22Å; P165-F167 PolarHBondContact O-N 3Å; P165-M185 HydrophobicContact CB-SD 4.27Å; P165-I516 VanDerWaalsContact CD-O 3.24Å; P165-I516 WeakPolarHBondContact CD-O 3.47Å; P165-I516 VanDerWaalsContact CG-O 3.3Å; P165-I516 WeakPolarHBondContact CG-O 3.25Å; P165-I519 HydrophobicContact CG-CD1 4.47Å; P165-I519 HydrophobicContact CG-CG1 4.4Å
166	Q	97.1	Very high	95	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.009	17%	0.171	C	C	.	.			trans	-80.7	101	172.8	-66.3	-174.5	-3.5	0	0	109.7	F94 Y151 L164 L168 M185 R186 H497 Y498	F94-Q166 HydrophobicContact CD1-CB 4.09Å; F94-Q166 HydrophobicContact CD1-CG 3.61Å; F94-Q166 HydrophobicContact CD2-CB 3.86Å; F94-Q166 HydrophobicContact CD2-CG 4.32Å; F94-Q166 HydrophobicContact CE1-CB 4.01Å; F94-Q166 HydrophobicContact CE1-CG 3.51Å; F94-Q166 HydrophobicContact CE2-CB 3.76Å; F94-Q166 HydrophobicContact CE2-CG 4.22Å; F94-Q166 HydrophobicContact CG-CB 4.02Å; F94-Q166 HydrophobicContact CG-CG 4.03Å; F94-Q166 HydrophobicContact CZ-CB 3.84Å; F94-Q166 HydrophobicContact CZ-CG 3.82Å; Y151-Q166 WeakPolarHBondContact OH-CA 3.34Å; L164-Q166 PolarHBondContact O-N 2.64Å; Q166-L168 WeakPolarHBondContact O-CG 3.43Å; Q166-M185 CarbonylContact O-C 3.5Å; Q166-M185 WeakPolarHBondContact O-CA 3.21Å; Q166-M185 WeakPolarHBondContact O-CB 3.21Å; Q166-R186 HydrophobicContact CB-CB 3.96Å; Q166-R186 PolarHBondContact O-N 3.26Å; Q166-H497 PolarHBondContact NE2-CD2 3Å; Q166-H497 PolarHBondContact NE2-CE1 2.86Å; Q166-H497 PolarHBondContact NE2-ND1 2.98Å; Q166-H497 PolarHBondContact NE2-NE2 2.81Å; Q166-Y498 PolarHBondContact N-OH 2.76Å
167	F	97.8	Very high	94.7	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.018	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	131.2	-178.6	-56.1	-58.1	0	0	0	112.1	F87 M144 M147 Y151 P165 L183 M185 I519	F87-F167 HydrophobicContact CE1-CB 3.96Å; M144-F167 HydrophobicContact CE-CD2 3.6Å; M144-F167 HydrophobicContact CE-CE2 4.04Å; M144-F167 HydrophobicContact CE-CG 4.21Å; M144-F167 HydrophobicContact SD-CD2 3.93Å; M144-F167 HydrophobicContact SD-CE2 3.88Å; M144-F167 HydrophobicContact SD-CG 4.41Å; M144-F167 HydrophobicContact SD-CZ 4.33Å; M147-F167 HydrophobicContact CE-CE2 3.74Å; M147-F167 HydrophobicContact CE-CZ 4.31Å; Y151-F167 HydrophobicContact CD1-CD2 4.36Å; Y151-F167 HydrophobicContact CD2-CD2 4.41Å; Y151-F167 HydrophobicContact CD2-CE2 4.4Å; Y151-F167 HydrophobicContact CE1-CB 4.44Å; Y151-F167 AromaticContact CE1-CD2 3.79Å; Y151-F167 HydrophobicContact CE1-CD2 3.79Å; Y151-F167 AromaticContact CE2-CD2 3.82Å; Y151-F167 HydrophobicContact CE2-CD2 3.82Å; Y151-F167 AromaticContact CE2-CE2 3.96Å; Y151-F167 HydrophobicContact CE2-CE2 3.96Å; Y151-F167 AromaticContact CZ-CD2 3.47Å; Y151-F167 VanDerWaalsContact CZ-CD2 3.47Å; Y151-F167 PolarHBondContact OH-N 2.89Å; P165-F167 HydrophobicContact CB-CD1 4.23Å; P165-F167 HydrophobicContact CB-CE1 3.66Å; P165-F167 HydrophobicContact CB-CZ 3.91Å; P165-F167 HydrophobicContact CG-CE1 4.32Å; P165-F167 HydrophobicContact CG-CZ 4.22Å; P165-F167 PolarHBondContact O-N 3Å; F167-L183 HydrophobicContact CB-CD1 4.36Å; F167-L183 HydrophobicContact CD1-CD1 3.88Å; F167-L183 HydrophobicContact CD1-CD2 3.76Å; F167-L183 HydrophobicContact CD1-CG 3.87Å; F167-L183 HydrophobicContact CE1-CD1 4.5Å; F167-L183 HydrophobicContact CE1-CD2 3.55Å; F167-L183 HydrophobicContact CE1-CG 4.16Å; F167-L183 HydrophobicContact CG-CD1 4.28Å; F167-L183 HydrophobicContact CZ-CD2 4.31Å; F167-M185 HydrophobicContact CD1-CB 4.2Å; F167-M185 HydrophobicContact CE1-CE 4.29Å; F167-I519 HydrophobicContact CE2-CD1 3.94Å; F167-I519 HydrophobicContact CZ-CD1 3.9Å; F167-I519 HydrophobicContact CZ-CG1 4.03Å
168	L	97.7	Very high	94.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	-9.2	-167.6	-51.4	178.5	0	0	0	114.3	R91 F94 V96 Y101 F131 Q166 V184 R186	R91-L168 HydrophobicContact CG-CB 4Å; R91-L168 HydrophobicContact CG-CD2 4.05Å; R91-L168 PolarHBondContact NH1-O 2.8Å; F94-L168 HydrophobicContact CB-CD2 4.46Å; F94-L168 HydrophobicContact CD2-CD2 3.65Å; F94-L168 HydrophobicContact CE2-CD2 4.36Å; F94-L168 HydrophobicContact CG-CD2 4.47Å; V96-L168 HydrophobicContact CG2-CD1 4.17Å; V96-L168 HydrophobicContact CG2-CD2 3.96Å; Y101-L168 HydrophobicContact CD2-CB 4.39Å; Y101-L168 HydrophobicContact CD2-CD1 4.24Å; Y101-L168 HydrophobicContact CE2-CB 3.63Å; Y101-L168 HydrophobicContact CE2-CD1 4.01Å; Y101-L168 HydrophobicContact CE2-CG 4.49Å; F131-L168 HydrophobicContact CD1-CD1 3.27Å; F131-L168 HydrophobicContact CE1-CD1 3.39Å; F131-L168 HydrophobicContact CG-CD1 4.31Å; F131-L168 HydrophobicContact CZ-CD1 4.49Å; Q166-L168 WeakPolarHBondContact O-CG 3.43Å; L168-V184 HydrophobicContact CB-CG1 4.25Å; L168-V184 PolarHBondContact N-O 3.08Å; L168-R186 HydrophobicContact CD1-CB 4.48Å
169	G	97.9	Very high	94.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.9	144	176.8	0	0	0	0	0	112.2	V184	G169-V184 PolarHBondContact O-N 3.28Å
170	L	98.4	Very high	95.1	Very high	2 Å²	2	33 Å²	33	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.8	176.6	176.2	61.6	0	0	0	110	Y82 F87 I136 V141 M144 L183	Y82-L170 HydrophobicContact CD2-CD2 4.3Å; Y82-L170 HydrophobicContact CD2-CG 3.93Å; Y82-L170 HydrophobicContact CG-CD2 4.24Å; Y82-L170 HydrophobicContact CG-CG 4.3Å; Y82-L170 PolarHBondContact N-O 3.04Å; F87-L170 HydrophobicContact CD2-CB 4.47Å; F87-L170 HydrophobicContact CE2-CB 3.57Å; F87-L170 HydrophobicContact CZ-CB 3.61Å; I136-L170 HydrophobicContact CD1-CD1 3.96Å; V141-L170 HydrophobicContact CG1-CD2 4.41Å; V141-L170 HydrophobicContact CG2-CD1 4.33Å; M144-L170 HydrophobicContact CB-CD2 4.46Å; M144-L170 HydrophobicContact CG-CD2 4.04Å; L170-L183 HydrophobicContact CB-CD1 4.29Å; L170-L183 HydrophobicContact CD1-CB 4.27Å; L170-L183 HydrophobicContact CD1-CD1 4.17Å
171	Y	98.3	Very high	95.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	142.9	-169.6	-54.4	-69.7	0	0	0	111.6	L30 I34 F79 K80 E81 Y101 Y181 I182 V184	L30-Y171 HydrophobicContact CD1-CD2 4.27Å; I34-Y171 HydrophobicContact CD1-CE2 4.4Å; I34-Y171 HydrophobicContact CG1-CE1 4.45Å; I34-Y171 HydrophobicContact CG1-CE2 4.36Å; F79-Y171 HydrophobicContact CE1-CD1 4.41Å; F79-Y171 AromaticContact CE2-CD1 3.58Å; F79-Y171 HydrophobicContact CE2-CD1 3.58Å; F79-Y171 HydrophobicContact CE2-CE1 4.23Å; F79-Y171 HydrophobicContact CE2-CG 4.17Å; F79-Y171 AromaticContact CZ-CD1 3.35Å; F79-Y171 HydrophobicContact CZ-CD1 3.35Å; F79-Y171 AromaticContact CZ-CE1 3.67Å; F79-Y171 HydrophobicContact CZ-CE1 3.67Å; F79-Y171 HydrophobicContact CZ-CG 4.36Å; K80-Y171 CarbonylContact O-C 3.59Å; K80-Y171 VanDerWaalsContact O-CA 3.3Å; K80-Y171 WeakPolarHBondContact O-CA 3.36Å; E81-Y171 HydrophobicContact CB-CD1 3.92Å; E81-Y171 HydrophobicContact CB-CE1 3.88Å; E81-Y171 HydrophobicContact CG-CD1 3.98Å; E81-Y171 HydrophobicContact CG-CE1 3.54Å; E81-Y171 VanDerWaalsContact OE1-CE1 3.22Å; E81-Y171 WeakPolarHBondContact OE1-CE1 3.48Å; E81-Y171 PolarHBondContact OE1-OH 3.27Å; Y101-Y171 PolarHBondContact OH-OH 3.18Å; Y171-Y181 CarbonylContact O-C 3.47Å; Y171-Y181 VanDerWaalsContact O-CA 3.31Å; Y171-Y181 WeakPolarHBondContact O-CA 3.43Å; Y171-I182 PolarHBondContact N-O 3.13Å; Y171-I182 PolarHBondContact O-N 3.39Å; Y171-V184 HydrophobicContact CD2-CG2 4.03Å; Y171-V184 HydrophobicContact CE2-CB 4.46Å; Y171-V184 HydrophobicContact CE2-CG2 3.7Å
172	R	98.2	Very high	95.8	Very high	43 Å²	43	30 Å²	30	16%	0.162	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.3	159.9	178.9	-179.3	76	169.6	-9.3	109.3	K80 Y82 E179 S180 Y181	K80-R172 HydrophobicContact CB-CB 4.31Å; K80-R172 PolarHBondContact N-O 2.78Å; K80-R172 PolarHBondContact O-N 3.08Å; Y82-R172 HydrophobicContact CE2-CB 3.75Å; R172-E179 VanDerWaalsContact CD-OE2 3.3Å; R172-E179 WeakPolarHBondContact CD-OE2 3.38Å; R172-E179 IonicContact CZ-OE1 3.66Å; R172-E179 IonicContact CZ-OE2 3.42Å; R172-E179 IonicContact NE-OE1 3.17Å; R172-E179 IonicContact NE-OE2 3.17Å; R172-E179 VanDerWaalsContact NH1-CD 3.34Å; R172-E179 IonicContact NH1-OE1 3.87Å; R172-E179 PolarHBondContact NH1-OE1 2.85Å; R172-E179 IonicContact NH1-OE2 2.74Å; R172-E179 PolarHBondContact NH1-OE2 2.8Å; R172-S180 WeakPolarHBondContact CA-O 3.47Å; R172-Y181 HydrophobicContact CB-CD1 3.78Å; R172-Y181 HydrophobicContact CB-CE1 4.01Å; R172-Y181 VanDerWaalsContact CD-CE1 3.47Å; R172-Y181 HydrophobicContact CG-CD1 3.89Å; R172-Y181 HydrophobicContact CG-CE1 3.79Å
173	L	97.2	Very high	95.9	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	135.3	173.4	-46	-173.8	0	0	0	108.1	L26 V29 L30 F79 E179 S180 I182	L26-L173 HydrophobicContact CD1-CB 3.86Å; L26-L173 HydrophobicContact CD1-CD1 3.62Å; L26-L173 HydrophobicContact CD1-CG 4.32Å; L26-L173 HydrophobicContact CG-CD1 4.01Å; V29-L173 HydrophobicContact CG1-CB 4.43Å; V29-L173 HydrophobicContact CG1-CD2 4.29Å; L30-L173 HydrophobicContact CB-CD1 3.86Å; L30-L173 HydrophobicContact CD1-CD1 4.32Å; F79-L173 HydrophobicContact CD2-CD2 3.43Å; F79-L173 VanDerWaalsContact CD2-CD2 3.43Å; F79-L173 HydrophobicContact CE2-CD2 3.92Å; L173-E179 CarbonylContact O-C 3.5Å; L173-E179 WeakPolarHBondContact O-CA 3.22Å; L173-S180 PolarHBondContact N-O 3.16Å; L173-S180 PolarHBondContact O-N 3.49Å; L173-I182 HydrophobicContact CD1-CD1 3.6Å; L173-I182 HydrophobicContact CG-CD1 4.3Å
174	T	96.2	Very high	96	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.018	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	117.9	166.7	-47.6	0	0	0	0	108.2	F77 K78 Q178 E179	F77-T174 CarbonylContact C-O 3.52Å; F77-T174 WeakPolarHBondContact CA-O 3.49Å; F77-T174 VanDerWaalsContact CB-O 3.29Å; F77-T174 WeakPolarHBondContact CB-O 3.26Å; K78-T174 HydrophobicContact CD-CG2 4.19Å; K78-T174 HydrophobicContact CG-CG2 4.42Å; K78-T174 PolarHBondContact N-O 2.87Å; K78-T174 PolarHBondContact O-N 2.75Å; T174-Q178 CarbonylContact C-O 3.55Å; T174-Q178 VanDerWaalsContact CA-O 3.31Å; T174-Q178 WeakPolarHBondContact CA-O 3.26Å; T174-E179 HydrophobicContact CG2-CG 4.03Å; T174-E179 PolarHBondContact OG1-OE1 3.07Å
175	V	92.5	Very high	96	Very high	10 Å²	10	30.5 Å²	30.5	6%	0.061	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	128.3	-179.8	-174.3	0	0	0	0	108.4	P25 L26 V29 P74 F77 D177 Q178	P25-V175 HydrophobicContact CB-CG1 3.66Å; L26-V175 HydrophobicContact CD1-CG2 4.25Å; V29-V175 HydrophobicContact CB-CG2 4.06Å; V29-V175 HydrophobicContact CG1-CG2 4.13Å; V29-V175 HydrophobicContact CG2-CG2 3.91Å; P74-V175 HydrophobicContact CB-CG1 4.19Å; P74-V175 HydrophobicContact CG-CG1 3.85Å; F77-V175 HydrophobicContact CB-CG2 4.37Å; V175-D177 PolarHBondContact O-N 3.19Å; V175-Q178 PolarHBondContact N-O 3.01Å; V175-Q178 PolarHBondContact O-N 2.92Å
176	N	87.9	Confident	95.9	Very high	119 Å²	119	30.8 Å²	30.8	64%	0.636	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	42.8	-174	-55.5	-20.5	0	0	0	112.2	Q178	N176-Q178 PolarHBondContact O-N 3.36Å
177	D	88	Confident	95.8	Very high	123 Å²	123	31 Å²	31	66%	0.658	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	7.1	-176.8	-57.2	-54.3	0	0	0	116.5	V175	V175-D177 PolarHBondContact O-N 3.19Å
178	Q	93.7	Very high	95.6	Very high	149 Å²	149	31.7 Å²	31.7	70%	0.696	16%	0.158	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	128	166.1	-63.3	-173.4	-21.9	0	0	110.1	T174 V175 N176	T174-Q178 CarbonylContact C-O 3.55Å; T174-Q178 VanDerWaalsContact CA-O 3.31Å; T174-Q178 WeakPolarHBondContact CA-O 3.26Å; V175-Q178 PolarHBondContact N-O 3.01Å; V175-Q178 PolarHBondContact O-N 2.92Å; N176-Q178 PolarHBondContact O-N 3.36Å
179	E	95.6	Very high	95.3	Very high	73 Å²	73	31.9 Å²	31.9	34%	0.341	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	142.2	173	-54.4	-153.1	145.8	0	0	110.8	R172 L173 T174	R172-E179 VanDerWaalsContact CD-OE2 3.3Å; R172-E179 WeakPolarHBondContact CD-OE2 3.38Å; R172-E179 IonicContact CZ-OE1 3.66Å; R172-E179 IonicContact CZ-OE2 3.42Å; R172-E179 IonicContact NE-OE1 3.17Å; R172-E179 IonicContact NE-OE2 3.17Å; R172-E179 VanDerWaalsContact NH1-CD 3.34Å; R172-E179 IonicContact NH1-OE1 3.87Å; R172-E179 PolarHBondContact NH1-OE1 2.85Å; R172-E179 IonicContact NH1-OE2 2.74Å; R172-E179 PolarHBondContact NH1-OE2 2.8Å; L173-E179 CarbonylContact O-C 3.5Å; L173-E179 WeakPolarHBondContact O-CA 3.22Å; T174-E179 HydrophobicContact CG2-CG 4.03Å; T174-E179 PolarHBondContact OG1-OE1 3.07Å
180	S	95.4	Very high	94.9	Very high	31 Å²	31	32.3 Å²	32.3	22%	0.217	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	130.6	177.3	-66.8	0	0	0	0	109.6	R172 L173	R172-S180 WeakPolarHBondContact CA-O 3.47Å; L173-S180 PolarHBondContact N-O 3.16Å; L173-S180 PolarHBondContact O-N 3.49Å
181	Y	97.5	Very high	94.3	Very high	44 Å²	44	33.8 Å²	33.8	17%	0.173	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.6	-179.9	-52.2	-91.1	0	0	0	109.7	T135 I136 V141 Y171 R172	T135-Y181 CarbonylContact C-O 3.54Å; T135-Y181 WeakPolarHBondContact CA-O 3.23Å; I136-Y181 PolarHBondContact N-O 3.32Å; V141-Y181 HydrophobicContact CB-CD1 4.48Å; V141-Y181 HydrophobicContact CG1-CD1 4.48Å; V141-Y181 HydrophobicContact CG2-CD1 3.6Å; V141-Y181 HydrophobicContact CG2-CD2 4.43Å; V141-Y181 HydrophobicContact CG2-CE1 4.28Å; V141-Y181 HydrophobicContact CG2-CG 3.66Å; Y171-Y181 CarbonylContact O-C 3.47Å; Y171-Y181 VanDerWaalsContact O-CA 3.31Å; Y171-Y181 WeakPolarHBondContact O-CA 3.43Å; R172-Y181 HydrophobicContact CB-CD1 3.78Å; R172-Y181 HydrophobicContact CB-CE1 4.01Å; R172-Y181 VanDerWaalsContact CD-CE1 3.47Å; R172-Y181 HydrophobicContact CG-CD1 3.89Å; R172-Y181 HydrophobicContact CG-CE1 3.79Å
182	I	97.1	Very high	93.7	Very high	1 Å²	1	37.6 Å²	37.6	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	120.8	-176.4	-60.4	-174.5	0	0	0	108.9	L30 L124 A133 K134 Y171 L173 V184	L30-I182 HydrophobicContact CD1-CD1 4.31Å; L30-I182 HydrophobicContact CD2-CD1 4.08Å; L124-I182 HydrophobicContact CD1-CD1 4.46Å; A133-I182 HydrophobicContact CB-CG2 3.55Å; K134-I182 WeakPolarHBondContact O-CA 3.24Å; Y171-I182 PolarHBondContact N-O 3.13Å; Y171-I182 PolarHBondContact O-N 3.39Å; L173-I182 HydrophobicContact CD1-CD1 3.6Å; L173-I182 HydrophobicContact CG-CD1 4.3Å; I182-V184 HydrophobicContact CG2-CG2 4.4Å
183	L	97.6	Very high	93.2	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	115.9	173.7	179.9	61.8	0	0	0	109	K134 I136 M144 F167 L170 M185 L520	K134-L183 PolarHBondContact N-O 2.69Å; K134-L183 PolarHBondContact O-N 2.84Å; I136-L183 HydrophobicContact CD1-CB 3.94Å; I136-L183 HydrophobicContact CD1-CD2 4.31Å; I136-L183 HydrophobicContact CG1-CB 4.37Å; I136-L183 HydrophobicContact CG2-CB 4.29Å; M144-L183 HydrophobicContact SD-CD1 4.44Å; M144-L183 HydrophobicContact SD-CD2 4.46Å; F167-L183 HydrophobicContact CB-CD1 4.36Å; F167-L183 HydrophobicContact CD1-CD1 3.88Å; F167-L183 HydrophobicContact CD1-CD2 3.76Å; F167-L183 HydrophobicContact CD1-CG 3.87Å; F167-L183 HydrophobicContact CE1-CD1 4.5Å; F167-L183 HydrophobicContact CE1-CD2 3.55Å; F167-L183 HydrophobicContact CE1-CG 4.16Å; F167-L183 HydrophobicContact CG-CD1 4.28Å; F167-L183 HydrophobicContact CZ-CD2 4.31Å; L170-L183 HydrophobicContact CB-CD1 4.29Å; L170-L183 HydrophobicContact CD1-CB 4.27Å; L170-L183 HydrophobicContact CD1-CD1 4.17Å; L183-M185 HydrophobicContact CD2-CE 4.22Å; L183-M185 HydrophobicContact CG-CE 4.11Å; L183-L520 HydrophobicContact CD2-CD1 3.76Å
184	V	97.7	Very high	92.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	133.6	176.9	-178.7	0	0	0	0	109.9	Y101 F105 F131 V132 A133 L168 G169 Y171 I182	Y101-V184 HydrophobicContact CE2-CG1 3.8Å; Y101-V184 WeakPolarHBondContact OH-CG1 3.36Å; F105-V184 HydrophobicContact CE1-CG2 4.39Å; F105-V184 HydrophobicContact CE2-CG1 3.83Å; F105-V184 HydrophobicContact CE2-CG2 4.49Å; F105-V184 HydrophobicContact CZ-CB 4.4Å; F105-V184 HydrophobicContact CZ-CG1 3.58Å; F105-V184 HydrophobicContact CZ-CG2 3.83Å; F131-V184 HydrophobicContact CB-CG1 4.2Å; V132-V184 CarbonylContact O-C 3.57Å; V132-V184 WeakPolarHBondContact O-CA 3.44Å; A133-V184 HydrophobicContact CB-CG2 4.15Å; L168-V184 HydrophobicContact CB-CG1 4.25Å; L168-V184 PolarHBondContact N-O 3.08Å; G169-V184 PolarHBondContact O-N 3.28Å; Y171-V184 HydrophobicContact CD2-CG2 4.03Å; Y171-V184 HydrophobicContact CE2-CB 4.46Å; Y171-V184 HydrophobicContact CE2-CG2 3.7Å; I182-V184 HydrophobicContact CG2-CG2 4.4Å
185	M	97	Very high	92.5	Very high	27 Å²	27	39.1 Å²	39.1	13%	0.133	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	161.8	175	63.4	-159.4	75.6	0	0	111.7	F131 V132 K134 P165 Q166 F167 L183	F131-M185 WeakPolarHBondContact CA-O 3.35Å; V132-M185 HydrophobicContact CB-CG 4.32Å; V132-M185 PolarHBondContact N-O 3.24Å; V132-M185 PolarHBondContact O-N 2.94Å; K134-M185 HydrophobicContact CB-CE 3.78Å; K134-M185 HydrophobicContact CD-CE 4.5Å; P165-M185 HydrophobicContact CB-SD 4.27Å; Q166-M185 CarbonylContact O-C 3.5Å; Q166-M185 WeakPolarHBondContact O-CA 3.21Å; Q166-M185 WeakPolarHBondContact O-CB 3.21Å; F167-M185 HydrophobicContact CD1-CB 4.2Å; F167-M185 HydrophobicContact CE1-CE 4.29Å; L183-M185 HydrophobicContact CD2-CE 4.22Å; L183-M185 HydrophobicContact CG-CE 4.11Å
186	R	95.7	Very high	92.2	Very high	14 Å²	14	41.1 Å²	41.1	5%	0.053	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	142.1	167.7	-171.9	-179.5	-71.2	-78.9	14.7	109.7	F94 V96 Q166 L168 T494	F94-R186 PolarHBondContact O-NH2 2.83Å; V96-R186 VanDerWaalsContact CG2-NH2 3.26Å; Q166-R186 HydrophobicContact CB-CB 3.96Å; Q166-R186 PolarHBondContact O-N 3.26Å; L168-R186 HydrophobicContact CD1-CB 4.48Å; R186-T494 PolarHBondContact NH1-O 3.48Å
187	N	93.6	Very high	92.2	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.037	20%	0.2	C	C	.	.			trans	-64.8	136.3	169.9	-174.2	-0.5	0	0	0	111.2	R129 Q130 V132 F189 L396	R129-N187 WeakPolarHBondContact O-CB 3.34Å; R129-N187 PolarHBondContact O-ND2 3.46Å; Q130-N187 VanDerWaalsContact O-CB 3.31Å; Q130-N187 WeakPolarHBondContact O-CB 3.26Å; Q130-N187 PolarHBondContact O-N 3.38Å; V132-N187 HydrophobicContact CG2-CB 4.03Å; N187-F189 PolarHBondContact ND2-O 3.47Å; N187-F189 PolarHBondContact OD1-N 3.02Å; N187-F189 PolarHBondContact OD1-O 3.05Å; N187-L396 WeakPolarHBondContact ND2-CD2 3.14Å; N187-L396 WeakPolarHBondContact OD1-CD1 3.29Å; N187-L396 WeakPolarHBondContact OD1-CD2 3.44Å
188	V	93.7	Very high	92.2	Very high	19 Å²	19	33.9 Å²	33.9	12%	0.115	17%	0.17	C	C	.	.	S	Bend	trans	-71.4	-37.7	175.9	178.8	0	0	0	0	111.8	L329 Y498 F513 A515	V188-L329 HydrophobicContact CB-CD2 4.19Å; V188-L329 HydrophobicContact CG1-CD2 4.15Å; V188-L329 HydrophobicContact CG2-CD2 4.26Å; V188-Y498 HydrophobicContact CB-CD2 4.39Å; V188-Y498 HydrophobicContact CG1-CD2 4.35Å; V188-Y498 HydrophobicContact CG1-CG 4.34Å; V188-Y498 HydrophobicContact CG2-CE2 4.42Å; V188-F513 WeakPolarHBondContact O-CD1 3.45Å; V188-A515 HydrophobicContact CB-CB 4.22Å; V188-A515 HydrophobicContact CG1-CB 3.45Å; V188-A515 VanDerWaalsContact CG1-CB 3.45Å; V188-A515 HydrophobicContact CG2-CB 3.69Å
189	F	92	Very high	92	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.018	14%	0.136	C	C	.	.	S	Bend	trans	-98.2	149.6	-177.6	-54.4	-19.3	0	0	0	110.6	N187 I195 K198 L329 L396 F513	N187-F189 PolarHBondContact ND2-O 3.47Å; N187-F189 PolarHBondContact OD1-N 3.02Å; N187-F189 PolarHBondContact OD1-O 3.05Å; F189-I195 HydrophobicContact CB-CD1 4.14Å; F189-I195 HydrophobicContact CB-CG1 3.88Å; F189-I195 HydrophobicContact CD2-CB 4.31Å; F189-I195 HydrophobicContact CD2-CD1 4.31Å; F189-I195 HydrophobicContact CD2-CG1 3.55Å; F189-I195 HydrophobicContact CD2-CG2 4.34Å; F189-I195 HydrophobicContact CE2-CG1 4.29Å; F189-I195 HydrophobicContact CE2-CG2 4.27Å; F189-I195 HydrophobicContact CG-CD1 4.11Å; F189-I195 HydrophobicContact CG-CG1 3.78Å; F189-K198 HydrophobicContact CE2-CD 3.74Å; F189-K198 HydrophobicContact CE2-CG 3.94Å; F189-K198 HydrophobicContact CZ-CD 4.03Å; F189-K198 HydrophobicContact CZ-CG 3.85Å; F189-L329 HydrophobicContact CE1-CD2 3.91Å; F189-L329 HydrophobicContact CE1-CG 3.95Å; F189-L329 HydrophobicContact CZ-CD1 3.98Å; F189-L329 HydrophobicContact CZ-CD2 3.72Å; F189-L329 HydrophobicContact CZ-CG 3.73Å; F189-L396 HydrophobicContact CB-CB 4.35Å; F189-L396 HydrophobicContact CB-CD1 4.02Å; F189-L396 HydrophobicContact CD1-CD1 4.31Å; F189-L396 HydrophobicContact CD2-CB 3.25Å; F189-L396 HydrophobicContact CD2-CD1 3.41Å; F189-L396 VanDerWaalsContact CD2-CD1 3.41Å; F189-L396 HydrophobicContact CD2-CG 3.95Å; F189-L396 HydrophobicContact CE2-CB 3.79Å; F189-L396 HydrophobicContact CE2-CD1 3.81Å; F189-L396 HydrophobicContact CE2-CG 4.44Å; F189-L396 HydrophobicContact CG-CB 4.13Å; F189-L396 HydrophobicContact CG-CD1 3.65Å; F189-L396 HydrophobicContact CZ-CD1 4.4Å; F189-F513 HydrophobicContact CD1-CB 3.54Å; F189-F513 HydrophobicContact CD1-CG 4.11Å; F189-F513 HydrophobicContact CE1-CB 4.01Å
190	S	88.7	Confident	91.6	Very high	9 Å²	9	25.2 Å²	25.2	6%	0.063	13%	0.131	C	C	.	.			trans	-55.9	141.3	179.2	175	0	0	0	0	111.9	R192 L193 E496	S190-R192 PolarHBondContact O-N 3.38Å; S190-R192 PolarHBondContact OG-N 2.99Å; S190-L193 PolarHBondContact OG-N 2.96Å; S190-L193 VanDerWaalsContact OG-N 3.1Å; S190-E496 WeakPolarHBondContact CB-OE1 3.44Å; S190-E496 PolarHBondContact OG-OE1 3.25Å
191	P	86.3	Confident	91.1	Very high	33 Å²	33	23.8 Å²	23.8	21%	0.214	12%	0.121	C	C	.	.	S	Bend	trans	-67.8	-16.3	167	29.4	-34.7	0	0	0	113.2	N128 R129 Q130 L495	N128-P191 WeakPolarHBondContact O-CB 3.33Å; R129-P191 HydrophobicContact CB-CB 3.97Å; Q130-P191 HydrophobicContact CG-CB 4.5Å; Q130-P191 HydrophobicContact CG-CG 4.33Å; P191-L495 HydrophobicContact CG-CB 4.29Å; P191-L495 HydrophobicContact CG-CD1 4.47Å; P191-L495 HydrophobicContact CG-CD2 4.26Å
192	R	87	Confident	90.1	Very high	80 Å²	80	24.3 Å²	24.3	30%	0.302	12%	0.124	S	C	.	.	S	Bend	trans	-106.3	-31.6	-174.2	-66	171	59.3	-174.9	-3.2	114.2	S190 Q485	S190-R192 PolarHBondContact O-N 3.38Å; S190-R192 PolarHBondContact OG-N 2.99Å; R192-Q485 PolarHBondContact NH2-O 2.8Å
193	L	88	Confident	88.5	Confident	15 Å²	15	24.5 Å²	24.5	8%	0.079	13%	0.125	C	C	.	.	S	Bend	trans	-101	121.3	-173	-55.7	-177.5	0	0	0	111.5	S190 H333 F487 L491 I511 F513	S190-L193 PolarHBondContact OG-N 2.96Å; S190-L193 VanDerWaalsContact OG-N 3.1Å; L193-H333 HydrophobicContact CB-CB 4.4Å; L193-F487 HydrophobicContact CD1-CD2 4.18Å; L193-F487 HydrophobicContact CD1-CE2 4.18Å; L193-F487 HydrophobicContact CD2-CB 4.29Å; L193-F487 HydrophobicContact CD2-CD2 3.92Å; L193-F487 HydrophobicContact CD2-CG 4.34Å; L193-L491 HydrophobicContact CD1-CD2 3.96Å; L193-I511 HydrophobicContact CD1-CD1 3.93Å; L193-I511 HydrophobicContact CD1-CG2 4.47Å; L193-F513 HydrophobicContact CB-CE2 4.48Å; L193-F513 HydrophobicContact CB-CZ 4.38Å; L193-F513 HydrophobicContact CD1-CZ 4.14Å
194	A	87.4	Confident	86.5	Confident	51 Å²	51	27.8 Å²	27.8	42%	0.421	14%	0.142	S	C	.	.	P	Polyproline II helix	trans	-67.4	136.8	179.3	0	0	0	0	0	111.8	H196 H333	A194-H196 PolarHBondContact O-CE1 3.47Å; A194-H333 WeakPolarHBondContact O-CB 3.31Å; A194-H333 PolarHBondContact O-ND1 2.84Å
195	I	89.3	Confident	84.2	Confident	12 Å²	12	30.1 Å²	30.1	6%	0.062	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-97.3	127.8	178.5	-58.6	-59.1	0	0	0	109	F189 K197 L282 H333 F513	F189-I195 HydrophobicContact CB-CD1 4.14Å; F189-I195 HydrophobicContact CB-CG1 3.88Å; F189-I195 HydrophobicContact CD2-CB 4.31Å; F189-I195 HydrophobicContact CD2-CD1 4.31Å; F189-I195 HydrophobicContact CD2-CG1 3.55Å; F189-I195 HydrophobicContact CD2-CG2 4.34Å; F189-I195 HydrophobicContact CE2-CG1 4.29Å; F189-I195 HydrophobicContact CE2-CG2 4.27Å; F189-I195 HydrophobicContact CG-CD1 4.11Å; F189-I195 HydrophobicContact CG-CG1 3.78Å; I195-K197 WeakPolarHBondContact CG2-O 3.37Å; I195-L282 HydrophobicContact CB-CD2 4.16Å; I195-L282 HydrophobicContact CG2-CD1 4.42Å; I195-L282 HydrophobicContact CG2-CD2 4.17Å; I195-L282 WeakPolarHBondContact O-CD1 3.07Å; I195-L282 WeakPolarHBondContact O-CD2 3.42Å; I195-H333 HydrophobicContact CD1-CB 4.26Å; I195-F513 HydrophobicContact CD1-CD2 3.52Å; I195-F513 HydrophobicContact CD1-CE2 3.76Å; I195-F513 HydrophobicContact CD1-CG 4.47Å
196	H	86.8	Confident	81.7	Confident	51 Å²	51	30.5 Å²	30.5	24%	0.236	15%	0.154	C	C	.	.	S	Bend	trans	-106.7	-22.1	-176.3	-51.3	119.1	0	0	0	112.8	A194 L282 V332 H333 D334	A194-H196 PolarHBondContact O-CE1 3.47Å; H196-L282 VanDerWaalsContact C-CD1 3.41Å; H196-L282 WeakPolarHBondContact O-CD1 3.39Å; H196-V332 PolarHBondContact N-O 3.05Å; H196-H333 AromaticContact CE1-ND1 3.81Å; H196-D334 PolarHBondContact CE1-O 3.08Å; H196-D334 VanDerWaalsContact ND1-CB 3.33Å; H196-D334 WeakPolarHBondContact ND1-CB 3.46Å; H196-D334 PolarHBondContact ND1-N 3.28Å; H196-D334 PolarHBondContact ND1-O 2.71Å
197	K	88.3	Confident	79.1	Confident	86 Å²	86	31.8 Å²	31.8	37%	0.374	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	146	170.2	-53.2	-174.7	-175	178.6	0	110.4	I195 Y199 V332	I195-K197 WeakPolarHBondContact CG2-O 3.37Å; K197-Y199 HydrophobicContact CB-CE2 3.73Å; K197-Y199 WeakPolarHBondContact CD-OH 3.47Å; K197-V332 HydrophobicContact CB-CB 4.16Å; K197-V332 HydrophobicContact CB-CG2 4.31Å; K197-V332 PolarHBondContact N-O 3.48Å; K197-V332 PolarHBondContact O-N 3.18Å
198	K	89	Confident	76.4	Confident	4 Å²	4	35.8 Å²	35.8	2%	0.017	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	134.3	-179.1	-167.8	-175.6	73.8	-103.8	0	111	F189 L282 T284 L285 L329 I330 G393 D394	F189-K198 HydrophobicContact CE2-CD 3.74Å; F189-K198 HydrophobicContact CE2-CG 3.94Å; F189-K198 HydrophobicContact CZ-CD 4.03Å; F189-K198 HydrophobicContact CZ-CG 3.85Å; K198-L282 PolarHBondContact NZ-O 3.26Å; K198-T284 WeakPolarHBondContact CE-OG1 3.45Å; K198-T284 PolarHBondContact NZ-OG1 3.26Å; K198-L285 WeakPolarHBondContact O-CB 3.32Å; K198-L285 PolarHBondContact O-N 3.24Å; K198-L329 HydrophobicContact CD-CD1 4.2Å; K198-L329 HydrophobicContact CG-CD1 3.97Å; K198-I330 CarbonylContact C-O 3.57Å; K198-I330 WeakPolarHBondContact CA-O 3.15Å; K198-G393 WeakPolarHBondContact CE-O 3.35Å; K198-G393 PolarHBondContact NZ-O 2.98Å; K198-D394 IonicContact NZ-OD1 3.46Å; K198-D394 PolarHBondContact NZ-OD1 3.35Å
199	Y	88.4	Confident	73.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	134.4	-177.5	-54.8	-93.9	0	0	0	112.1	K197 L285 F290 L294 L329 I330 V332	K197-Y199 HydrophobicContact CB-CE2 3.73Å; K197-Y199 WeakPolarHBondContact CD-OH 3.47Å; Y199-L285 CarbonylContact C-O 3.55Å; Y199-L285 VanDerWaalsContact CA-O 3.28Å; Y199-L285 WeakPolarHBondContact CA-O 3.38Å; Y199-L285 HydrophobicContact CD1-CB 3.37Å; Y199-L285 HydrophobicContact CD1-CD1 4.16Å; Y199-L285 HydrophobicContact CD1-CG 4.4Å; Y199-L285 HydrophobicContact CE1-CB 3.56Å; Y199-L285 HydrophobicContact CE1-CD1 3.47Å; Y199-L285 VanDerWaalsContact CE1-CD1 3.47Å; Y199-L285 HydrophobicContact CE1-CG 4.17Å; Y199-L285 HydrophobicContact CG-CB 4.21Å; Y199-F290 HydrophobicContact CD1-CB 3.72Å; Y199-F290 AromaticContact CD1-CD2 3.62Å; Y199-F290 HydrophobicContact CD1-CD2 3.62Å; Y199-F290 HydrophobicContact CD1-CG 4.16Å; Y199-F290 AromaticContact CD2-CD2 3.97Å; Y199-F290 HydrophobicContact CD2-CD2 3.97Å; Y199-F290 HydrophobicContact CD2-CE2 4.41Å; Y199-F290 HydrophobicContact CE1-CB 4.06Å; Y199-F290 AromaticContact CE1-CD2 3.97Å; Y199-F290 HydrophobicContact CE1-CD2 3.97Å; Y199-F290 HydrophobicContact CE1-CG 4.45Å; Y199-F290 HydrophobicContact CE2-CD2 4.3Å; Y199-F290 HydrophobicContact CG-CB 4.48Å; Y199-F290 AromaticContact CG-CD2 3.63Å; Y199-F290 HydrophobicContact CG-CD2 3.63Å; Y199-F290 HydrophobicContact CG-CE2 4.44Å; Y199-L294 HydrophobicContact CD2-CD1 4.23Å; Y199-L294 HydrophobicContact CE2-CD1 3.39Å; Y199-L294 HydrophobicContact CE2-CG 4.38Å; Y199-L329 WeakPolarHBondContact O-CA 3.47Å; Y199-I330 PolarHBondContact N-O 3.12Å; Y199-I330 PolarHBondContact O-N 3.34Å; Y199-V332 HydrophobicContact CE2-CG2 4.19Å
200	D	88.1	Confident	71.2	Confident	41 Å²	41	46 Å²	46	22%	0.219	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	106.1	172.5	176.7	-9.1	0	0	0	108.3	T284 L285 S327	D200-T284 HydrophobicContact CB-CG2 3.72Å; D200-L285 PolarHBondContact N-O 3.3Å; D200-S327 WeakPolarHBondContact OD1-CB 3.47Å; D200-S327 PolarHBondContact OD1-OG 2.89Å
201	L	85.1	Confident	68.7	Low	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	114.8	-170.8	-54.7	177.7	0	0	0	110.6	D287 F290 S327 L328 I330 F557	L201-D287 WeakPolarHBondContact CA-OD1 3.42Å; L201-F290 HydrophobicContact CD1-CD2 4.2Å; L201-F290 HydrophobicContact CD1-CE2 4.37Å; L201-F290 HydrophobicContact CD1-CG 4.47Å; L201-F290 HydrophobicContact CD2-CB 3.86Å; L201-F290 HydrophobicContact CD2-CD2 4.29Å; L201-F290 HydrophobicContact CD2-CG 4.11Å; L201-S327 CarbonylContact O-C 3.43Å; L201-S327 VanDerWaalsContact O-CA 3.24Å; L201-S327 WeakPolarHBondContact O-CA 3.35Å; L201-S327 WeakPolarHBondContact O-CB 3.46Å; L201-L328 HydrophobicContact CB-CB 4.38Å; L201-L328 WeakPolarHBondContact CB-O 3.06Å; L201-L328 PolarHBondContact N-O 3.47Å; L201-L328 PolarHBondContact O-N 2.88Å; L201-I330 HydrophobicContact CD1-CD1 3.51Å; L201-I330 HydrophobicContact CD1-CG1 4.01Å; L201-F557 HydrophobicContact CB-CE1 4.17Å; L201-F557 HydrophobicContact CD1-CE1 4.03Å; L201-F557 HydrophobicContact CD2-CE1 4.17Å; L201-F557 HydrophobicContact CG-CE1 4.35Å
202	K	76.4	Confident	66.1	Low	55 Å²	55	56.4 Å²	56.4	24%	0.239	29%	0.285	C	S	.	.			trans	-123.7	24.6	180	-68	-164.3	177.9	-162.2	0	112.3	I204 R271 D287 D325 S327	K202-I204 PolarHBondContact O-N 2.84Å; K202-R271 PolarHBondContact O-NH1 2.93Å; K202-D287 PolarHBondContact N-OD1 2.98Å; K202-D325 VanDerWaalsContact CE-O 3.23Å; K202-D325 WeakPolarHBondContact CE-O 3.4Å; K202-D325 PolarHBondContact NZ-O 3.23Å; K202-S327 WeakPolarHBondContact CE-OG 3.12Å; K202-S327 WeakPolarHBondContact CG-OG 3.25Å
203	N	63	Low	63.4	Low	5 Å²	5	63.5 Å²	63.5	3%	0.027	31%	0.312	C	S	.	.			trans	-32.1	119.3	-154.2	-158.3	-60.1	0	0	0	117.6	L205 Y206 D287 F557	N203-L205 PolarHBondContact OD1-N 2.88Å; N203-Y206 PolarHBondContact OD1-N 2.78Å; N203-Y206 VanDerWaalsContact OD1-N 3.14Å; N203-D287 VanDerWaalsContact CA-OD1 3.3Å; N203-D287 WeakPolarHBondContact CA-OD1 3.39Å; N203-D287 PolarHBondContact N-OD1 2.73Å; N203-F557 HydrophobicContact CB-CB 3.99Å; N203-F557 HydrophobicContact CB-CD1 3.51Å; N203-F557 HydrophobicContact CB-CD2 4.42Å; N203-F557 HydrophobicContact CB-CE1 4.01Å; N203-F557 HydrophobicContact CB-CG 3.71Å; N203-F557 WeakPolarHBondContact ND2-CD1 3.42Å; N203-F557 WeakPolarHBondContact ND2-CD2 3.41Å; N203-F557 WeakPolarHBondContact ND2-CE1 3.26Å; N203-F557 WeakPolarHBondContact ND2-CE2 3.4Å; N203-F557 WeakPolarHBondContact ND2-CG 3.36Å; N203-F557 WeakPolarHBondContact ND2-CZ 3.45Å
204	I	54.7	Low	60.9	Low	70 Å²	70	66.8 Å²	66.8	36%	0.359	34%	0.336	S	S	.	.			trans	-116.2	-0.6	167.8	-61.2	-171.5	0	0	0	111.7	K202 Y206 R271	K202-I204 PolarHBondContact O-N 2.84Å; I204-Y206 PolarHBondContact O-N 2.85Å; I204-R271 VanDerWaalsContact CD1-NH2 3.26Å
205	L	49.3	Very low	58.3	Low	49 Å²	49	70.2 Å²	70.2	26%	0.257	35%	0.351	S	S	.	.			trans	-64.9	-27.7	175.9	-104	76.9	0	0	0	112.2	N203 S207 F257 L291	N203-L205 PolarHBondContact OD1-N 2.88Å; L205-S207 VanDerWaalsContact C-N 3.3Å; L205-S207 PolarHBondContact O-N 3.45Å; L205-F257 HydrophobicContact CD2-CE1 4.48Å; L205-F257 HydrophobicContact CD2-CE2 4.41Å; L205-F257 HydrophobicContact CD2-CZ 3.69Å; L205-F257 HydrophobicContact CG-CZ 4.29Å; L205-L291 HydrophobicContact CD2-CD1 4.41Å
206	Y	44.9	Very low	55.4	Low	35 Å²	35	74.2 Å²	74.2	14%	0.137	38%	0.38	C	S	.	.			trans	-76.9	78.9	169.5	-98.5	-110	0	0	0	112.2	N203 I204 V211 R553 Q560	N203-Y206 PolarHBondContact OD1-N 2.78Å; N203-Y206 VanDerWaalsContact OD1-N 3.14Å; I204-Y206 PolarHBondContact O-N 2.85Å; Y206-V211 HydrophobicContact CD1-CG2 4.17Å; Y206-V211 HydrophobicContact CE1-CG2 3.33Å; Y206-R553 WeakPolarHBondContact O-CD 3.4Å; Y206-R553 PolarHBondContact O-NE 2.83Å; Y206-Q560 VanDerWaalsContact CE1-NE2 3.32Å; Y206-Q560 VanDerWaalsContact CZ-NE2 3.26Å; Y206-Q560 VanDerWaalsContact OH-CD 3.28Å; Y206-Q560 PolarHBondContact OH-NE2 3.16Å; Y206-Q560 PolarHBondContact OH-OE1 3.31Å
207	S	41.1	Very low	52.8	Low	40 Å²	40	78.9 Å²	78.9	28%	0.28	41%	0.405	S	S	.	.			trans	-93.2	134.9	144.5	-163.9	0	0	0	0	108	L205 H209 H210	L205-S207 VanDerWaalsContact C-N 3.3Å; L205-S207 PolarHBondContact O-N 3.45Å; S207-H209 PolarHBondContact O-N 2.72Å; S207-H210 PolarHBondContact O-N 3.04Å
208	S	37.6	Very low	50	Low	91 Å²	91	83.9 Å²	83.9	64%	0.636	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	1.2	-159.2	-49.4	0	0	0	0	116.8
209	H	37.1	Very low	47.1	Very low	168 Å²	168	88.1 Å²	88.1	78%	0.778	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-16.8	173.8	-77.6	-82.7	0	0	0	114.8	S207	S207-H209 PolarHBondContact O-N 2.72Å
210	H	38.8	Very low	44.1	Very low	70 Å²	70	97.4 Å²	97.4	32%	0.324	50%	0.501	S	S	.	.	S	Bend	trans	-78.1	-24.7	-173.3	-101.5	-73.9	0	0	0	115.7	S207 K212 F257 T261	S207-H210 PolarHBondContact O-N 3.04Å; H210-K212 PolarHBondContact O-N 2.98Å; H210-F257 AromaticContact CE1-CE2 3.81Å; H210-T261 VanDerWaalsContact CE1-CG2 3.42Å; H210-T261 WeakPolarHBondContact CE1-CG2 3.34Å; H210-T261 VanDerWaalsContact NE2-CG2 3.31Å; H210-T261 WeakPolarHBondContact NE2-CG2 3.41Å
211	V	35.9	Very low	41.3	Very low	58 Å²	58	102.5 Å²	102.5	35%	0.352	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-74.4	-31.6	-164.1	-162	0	0	0	0	113.8	Y206 R213	Y206-V211 HydrophobicContact CD1-CG2 4.17Å; Y206-V211 HydrophobicContact CE1-CG2 3.33Å; V211-R213 VanDerWaalsContact C-N 3.28Å; V211-R213 PolarHBondContact O-N 2.89Å
212	K	32.1	Very low	38.8	Very low	203 Å²	203	106.5 Å²	106.5	88%	0.883	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-81.7	10.9	-170	-71.5	-171.2	174.6	-178.2	0	115.5	H210	H210-K212 PolarHBondContact O-N 2.98Å
213	R	30.6	Very low	36.5	Very low	229 Å²	229	113.3 Å²	113.3	86%	0.864	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-130	-9.2	-176.4	-80.1	-175.6	168.8	142.7	-2.3	117	V211	V211-R213 VanDerWaalsContact C-N 3.28Å; V211-R213 PolarHBondContact O-N 2.89Å
214	S	34.1	Very low	35	Very low	83 Å²	83	116.7 Å²	116.7	58%	0.58	63%	0.634	S	S	*	*	S	Bend	trans	-89.5	-19.5	178	48.2	0	0	0	0	114.6
215	V	33.8	Very low	33.8	Very low	123 Å²	123	119.1 Å²	119.1	75%	0.745	66%	0.657	S	S	*	*	S	Bend	trans	-89.9	0.7	-170.4	-170.6	0	0	0	0	113.7
216	S	29.3	Very low	33	Very low	96 Å²	96	123.6 Å²	123.6	67%	0.671	69%	0.687	S	S	*	*			trans	-95.9	17	-175.3	-165.9	0	0	0	0	115.4
217	I	30.9	Very low	32.2	Very low	149 Å²	149	130.7 Å²	130.7	76%	0.764	72%	0.721	S	S	*	*			trans	-117.1	48.2	-176.7	-48.3	175.7	0	0	0	110.6
218	H	30.6	Very low	31.7	Very low	192 Å²	192	137.2 Å²	137.2	89%	0.889	75%	0.752	S	S	*	*			trans	-139	19.5	173.9	-124.8	-84	0	0	0	114.8
219	S	27.4	Very low	31.3	Very low	92 Å²	92	137.8 Å²	137.8	64%	0.643	76%	0.756	S	S	*	*			trans	-118	44.1	-179.2	66.2	0	0	0	0	113.4
220	F	26.1	Very low	30.9	Very low	196 Å²	196	135.1 Å²	135.1	86%	0.86	76%	0.756	S	S	*	*			trans	-143.3	71	171.9	-98.6	-80.1	0	0	0	112.1
221	V	28.9	Very low	30.6	Very low	148 Å²	148	137.3 Å²	137.3	90%	0.897	78%	0.779	S	S	*	*			trans	-127.4	80.4	153.4	-177.6	0	0	0	0	106.9
222	A	32.3	Very low	30.3	Very low	84 Å²	84	144.8 Å²	144.8	69%	0.694	81%	0.807	S	S	*	*			trans	-83.8	150.7	169	0	0	0	0	0	109.7
223	H	28.9	Very low	30.3	Very low	199 Å²	199	142.4 Å²	142.4	92%	0.921	80%	0.802	S	S	*	*			trans	-59.4	146.4	-167.7	-51.1	-51.9	0	0	0	114.9
224	G	30.9	Very low	30.5	Very low	75 Å²	75	136.7 Å²	136.7	77%	0.773	79%	0.789	S	S	*	*			trans	-179.2	74.6	176.5	0	0	0	0	0	113.2
225	S	28.6	Very low	30.7	Very low	121 Å²	121	138.9 Å²	138.9	85%	0.846	79%	0.793	S	S	*	*			trans	-79.7	120.5	-179.4	-50.5	0	0	0	0	112.7
226	T	32.7	Very low	30.7	Very low	144 Å²	144	139 Å²	139	88%	0.883	79%	0.789	S	S	*	*			trans	-157	131.3	152.3	1.7	0	0	0	0	111.7
227	Q	28	Very low	30.9	Very low	184 Å²	184	139.9 Å²	139.9	86%	0.86	79%	0.786	S	S	*	*			trans	-83.2	151.9	176.3	-59.4	-171.8	24.4	0	0	111.7
228	L	31.8	Very low	31	Very low	177 Å²	177	134.9 Å²	134.9	93%	0.927	77%	0.767	S	S	*	*			trans	-159	103.9	148	-110.2	144.9	0	0	0	113.7
229	S	28.5	Very low	31.2	Very low	103 Å²	103	129.7 Å²	129.7	72%	0.72	75%	0.749	S	S	*	*			trans	15	119.4	149.5	-162.4	0	0	0	0	121.6
230	S	28.2	Very low	31.6	Very low	111 Å²	111	128.2 Å²	128.2	78%	0.776	74%	0.736	S	S	*	*			trans	9.8	120	141.8	-60.9	0	0	0	0	120.7
231	S	32	Very low	32.2	Very low	116 Å²	116	123.1 Å²	123.1	81%	0.811	72%	0.721	S	S	*	*			trans	-150.6	146	137.3	-85.1	0	0	0	0	111.1	I233	S231-I233 PolarHBondContact O-N 2.94Å
232	K	31.5	Very low	32.6	Very low	216 Å²	216	121.8 Å²	121.8	94%	0.939	71%	0.708	S	S	*	*			trans	-63.6	124.5	-167	-60.6	166.7	-178.8	174	0	111.9
233	I	31.9	Very low	32.8	Very low	152 Å²	152	122.5 Å²	122.5	78%	0.779	70%	0.697	S	S	*	*			trans	-123.3	134.7	170.3	-61.6	-179.6	0	0	0	109.7	S231 I235	S231-I233 PolarHBondContact O-N 2.94Å; I233-I235 PolarHBondContact O-N 2.73Å
234	N	33.2	Very low	33.4	Very low	109 Å²	109	120 Å²	120	58%	0.583	68%	0.683	S	S	*	*			trans	-70.2	116.9	-172.9	-174.4	-16	0	0	0	111.7	N236 N237	N234-N236 VanDerWaalsContact C-N 3.28Å; N234-N236 PolarHBondContact O-N 3.13Å; N234-N236 PolarHBondContact OD1-N 3.23Å; N234-N237 PolarHBondContact O-N 3.12Å
235	I	38.5	Very low	33.9	Very low	129 Å²	129	120.3 Å²	120.3	66%	0.662	67%	0.665	S	S	*	*	H	α-helix	trans	-59.2	-35.9	-169.9	-60.8	171.2	0	0	0	112.1	I233 N237 A238 V239	I233-I235 PolarHBondContact O-N 2.73Å; I235-N237 VanDerWaalsContact C-N 3.31Å; I235-N237 PolarHBondContact O-N 3.37Å; I235-A238 WeakPolarHBondContact O-CB 3.37Å; I235-A238 PolarHBondContact O-N 3.47Å; I235-V239 PolarHBondContact O-N 2.83Å
236	N	34.5	Very low	34.5	Very low	125 Å²	125	120.2 Å²	120.2	67%	0.668	65%	0.651	S	S	*	*	H	α-helix	trans	-68.9	-26.3	-172.5	-64.4	-5.4	0	0	0	113.5	N234 T240	N234-N236 VanDerWaalsContact C-N 3.28Å; N234-N236 PolarHBondContact O-N 3.13Å; N234-N236 PolarHBondContact OD1-N 3.23Å; N236-T240 PolarHBondContact O-OG1 2.89Å
237	N	34.6	Very low	35	Very low	115 Å²	115	119.6 Å²	119.6	62%	0.615	64%	0.636	S	S	*	*	H	α-helix	trans	-82.8	-24.2	172.6	-86	2.5	0	0	0	112.8	N234 I235 T240 V241	N234-N237 PolarHBondContact O-N 3.12Å; I235-N237 VanDerWaalsContact C-N 3.31Å; I235-N237 PolarHBondContact O-N 3.37Å; N237-T240 PolarHBondContact O-OG1 2.88Å; N237-V241 WeakPolarHBondContact O-CG2 3.46Å; N237-V241 PolarHBondContact O-N 2.81Å
238	A	32.2	Very low	35.6	Very low	44 Å²	44	119.8 Å²	119.8	36%	0.364	63%	0.629	S	S	.	*	H	α-helix	trans	-69.2	-41	179.2	0	0	0	0	0	111.4	I235 T240 V241 L242	I235-A238 WeakPolarHBondContact O-CB 3.37Å; I235-A238 PolarHBondContact O-N 3.47Å; A238-T240 PolarHBondContact O-N 3.36Å; A238-V241 PolarHBondContact O-N 3.02Å; A238-L242 WeakPolarHBondContact O-CG 3.47Å; A238-L242 PolarHBondContact O-N 3.42Å
239	V	34.5	Very low	36.1	Very low	84 Å²	84	118.7 Å²	118.7	51%	0.509	61%	0.612	S	S	.	*	H	α-helix	trans	-60	-47.1	178.1	179.5	0	0	0	0	111.5	I235 V241 L242 E243	I235-V239 PolarHBondContact O-N 2.83Å; V239-V241 VanDerWaalsContact C-N 3.31Å; V239-V241 PolarHBondContact O-N 2.99Å; V239-L242 PolarHBondContact O-N 2.87Å; V239-E243 PolarHBondContact O-N 3.38Å
240	T	35.6	Very low	36.7	Very low	60 Å²	60	116.5 Å²	116.5	37%	0.368	59%	0.592	S	S	.	*	H	α-helix	trans	-68.5	-25.6	179.2	23	0	0	0	0	113.8	N236 N237 A238 K244	N236-T240 PolarHBondContact O-OG1 2.89Å; N237-T240 PolarHBondContact O-OG1 2.88Å; A238-T240 PolarHBondContact O-N 3.36Å; T240-K244 WeakPolarHBondContact O-CD 3.3Å; T240-K244 VanDerWaalsContact O-CG 3.3Å; T240-K244 WeakPolarHBondContact O-CG 3.43Å; T240-K244 PolarHBondContact O-N 3.47Å
241	V	39	Very low	37.2	Very low	90 Å²	90	120.7 Å²	120.7	55%	0.545	59%	0.591	S	S	.	*	H	α-helix	trans	-75.7	-44.3	172.5	172.2	0	0	0	0	110.7	N237 A238 V239 E243 K244 E245	N237-V241 WeakPolarHBondContact O-CG2 3.46Å; N237-V241 PolarHBondContact O-N 2.81Å; A238-V241 PolarHBondContact O-N 3.02Å; V239-V241 VanDerWaalsContact C-N 3.31Å; V239-V241 PolarHBondContact O-N 2.99Å; V241-E243 PolarHBondContact O-N 2.85Å; V241-K244 PolarHBondContact O-N 3.35Å; V241-E245 PolarHBondContact O-N 2.91Å
242	L	37.5	Very low	37.8	Very low	119 Å²	119	121 Å²	121	62%	0.623	58%	0.582	S	S	*	*	H	α-helix	trans	-62	-42.4	177.2	-72.4	170.6	0	0	0	112.2	A238 V239 K244 E245 H246	A238-L242 WeakPolarHBondContact O-CG 3.47Å; A238-L242 PolarHBondContact O-N 3.42Å; V239-L242 PolarHBondContact O-N 2.87Å; L242-K244 PolarHBondContact O-N 3.23Å; L242-E245 PolarHBondContact O-N 3.36Å; L242-H246 VanDerWaalsContact O-CB 3.32Å; L242-H246 WeakPolarHBondContact O-CB 3.24Å; L242-H246 PolarHBondContact O-N 2.93Å
243	E	36.5	Very low	38.2	Very low	100 Å²	100	118.1 Å²	118.1	47%	0.467	57%	0.57	S	S	.	*	H	α-helix	trans	-59.5	-44.2	173.2	-77.5	-159.7	117.9	0	0	112.9	V239 V241 E245 H246 K247	V239-E243 PolarHBondContact O-N 3.38Å; V241-E243 PolarHBondContact O-N 2.85Å; E243-E245 VanDerWaalsContact C-N 3.33Å; E243-H246 PolarHBondContact O-N 3.11Å; E243-K247 WeakPolarHBondContact O-CB 3.3Å; E243-K247 WeakPolarHBondContact O-CG 3.28Å; E243-K247 PolarHBondContact O-N 3.46Å
244	K	40.5	Very low	38.5	Very low	145 Å²	145	115.6 Å²	115.6	63%	0.63	55%	0.553	S	S	*	*	H	α-helix	trans	-65.7	-37.4	179.1	-78.5	173.9	-178.8	171.6	0	111.5	T240 V241 L242 R248	T240-K244 WeakPolarHBondContact O-CD 3.3Å; T240-K244 VanDerWaalsContact O-CG 3.3Å; T240-K244 WeakPolarHBondContact O-CG 3.43Å; T240-K244 PolarHBondContact O-N 3.47Å; V241-K244 PolarHBondContact O-N 3.35Å; L242-K244 PolarHBondContact O-N 3.23Å; K244-R248 WeakPolarHBondContact O-CG 3.28Å; K244-R248 PolarHBondContact O-N 3.44Å; K244-R248 VanDerWaalsContact O-N 3.11Å
245	E	41	Very low	38.6	Very low	83 Å²	83	117 Å²	117	39%	0.388	56%	0.556	S	S	.	*	H	α-helix	trans	-73.2	-38.9	176.4	-150.9	-170.5	133.1	0	0	112.1	V241 L242 E243 K247 R248 R249	V241-E245 PolarHBondContact O-N 2.91Å; L242-E245 PolarHBondContact O-N 3.36Å; E243-E245 VanDerWaalsContact C-N 3.33Å; E245-K247 PolarHBondContact O-N 2.88Å; E245-R248 WeakPolarHBondContact O-CB 3.28Å; E245-R248 PolarHBondContact O-N 2.83Å; E245-R248 VanDerWaalsContact O-N 3.13Å; E245-R249 WeakPolarHBondContact O-CG 3.47Å; E245-R249 PolarHBondContact O-N 3.35Å; E245-R249 IonicContact OE1-CZ 3.85Å; E245-R249 VanDerWaalsContact OE1-CZ 3.25Å; E245-R249 IonicContact OE1-NE 3.16Å; E245-R249 PolarHBondContact OE1-NE 3.04Å; E245-R249 IonicContact OE1-NH2 3.83Å; E245-R249 PolarHBondContact OE1-NH2 3.18Å
246	H	42.6	Very low	38.5	Very low	118 Å²	118	114.3 Å²	114.3	55%	0.546	55%	0.549	S	S	.	.	H	α-helix	trans	-60.2	-46.4	173.9	-162.8	93.5	0	0	0	111.2	L242 E243 R248 R249 L250	L242-H246 VanDerWaalsContact O-CB 3.32Å; L242-H246 WeakPolarHBondContact O-CB 3.24Å; L242-H246 PolarHBondContact O-N 2.93Å; E243-H246 PolarHBondContact O-N 3.11Å; H246-R248 VanDerWaalsContact C-N 3.3Å; H246-R248 PolarHBondContact O-N 3.18Å; H246-R249 PolarHBondContact O-N 3.38Å; H246-L250 PolarHBondContact O-N 3.17Å
247	K	43.5	Very low	38.4	Very low	132 Å²	132	112.4 Å²	112.4	57%	0.574	54%	0.535	S	S	*	.	H	α-helix	trans	-60.7	-33.3	173	-77	170.1	177.5	159.7	0	113	E243 E245 R251	E243-K247 WeakPolarHBondContact O-CB 3.3Å; E243-K247 WeakPolarHBondContact O-CG 3.28Å; E243-K247 PolarHBondContact O-N 3.46Å; E245-K247 PolarHBondContact O-N 2.88Å; K247-R251 PolarHBondContact O-N 3.38Å
248	R	39.8	Very low	38.3	Very low	187 Å²	187	113.1 Å²	113.1	71%	0.706	53%	0.534	S	S	*	.	H	α-helix	trans	-69	-46	171.7	-79.7	-177.9	172.4	-166.7	-2	112.4	K244 E245 H246 L250 R251 I252	K244-R248 WeakPolarHBondContact O-CG 3.28Å; K244-R248 PolarHBondContact O-N 3.44Å; K244-R248 VanDerWaalsContact O-N 3.11Å; E245-R248 WeakPolarHBondContact O-CB 3.28Å; E245-R248 PolarHBondContact O-N 2.83Å; E245-R248 VanDerWaalsContact O-N 3.13Å; H246-R248 VanDerWaalsContact C-N 3.3Å; H246-R248 PolarHBondContact O-N 3.18Å; R248-L250 VanDerWaalsContact C-N 3.29Å; R248-L250 PolarHBondContact O-N 3.32Å; R248-R251 PolarHBondContact O-N 3.31Å; R248-R251 VanDerWaalsContact O-N 3.17Å; R248-I252 PolarHBondContact O-N 3Å
249	R	42.2	Very low	38.3	Very low	155 Å²	155	115.9 Å²	115.9	59%	0.585	55%	0.551	S	S	*	*	H	α-helix	trans	-61.9	-36.3	177.7	-68.1	177.5	-175.7	-146.8	4.2	111.6	E245 H246 I252 K253	E245-R249 WeakPolarHBondContact O-CG 3.47Å; E245-R249 PolarHBondContact O-N 3.35Å; E245-R249 IonicContact OE1-CZ 3.85Å; E245-R249 VanDerWaalsContact OE1-CZ 3.25Å; E245-R249 IonicContact OE1-NE 3.16Å; E245-R249 PolarHBondContact OE1-NE 3.04Å; E245-R249 IonicContact OE1-NH2 3.83Å; E245-R249 PolarHBondContact OE1-NH2 3.18Å; H246-R249 PolarHBondContact O-N 3.38Å; R249-I252 PolarHBondContact O-N 3.35Å; R249-K253 PolarHBondContact O-N 2.93Å; R249-K253 VanDerWaalsContact O-N 3.09Å
250	L	41.8	Very low	38.3	Very low	57 Å²	57	117.2 Å²	117.2	30%	0.298	56%	0.559	S	S	.	*	H	α-helix	trans	-62.5	-43.7	171.5	-82.8	162	0	0	0	113.3	H246 R248 I252 K253 K254 T292	H246-L250 PolarHBondContact O-N 3.17Å; R248-L250 VanDerWaalsContact C-N 3.29Å; R248-L250 PolarHBondContact O-N 3.32Å; L250-I252 VanDerWaalsContact C-N 3.33Å; L250-I252 PolarHBondContact O-N 2.88Å; L250-K253 PolarHBondContact O-N 3.26Å; L250-K254 PolarHBondContact O-N 3.09Å; L250-T292 HydrophobicContact CD1-CG2 4.46Å; L250-T292 HydrophobicContact CD2-CG2 4.06Å
251	R	39.1	Very low	38.1	Very low	199 Å²	199	115.9 Å²	115.9	75%	0.751	55%	0.551	S	S	*	*	H	α-helix	trans	-60.2	-40.6	174.7	-90.7	-174	176.2	169.8	0.2	112.8	K247 R248 K254 H255	K247-R251 PolarHBondContact O-N 3.38Å; R248-R251 PolarHBondContact O-N 3.31Å; R248-R251 VanDerWaalsContact O-N 3.17Å; R251-K254 PolarHBondContact O-N 2.96Å; R251-H255 PolarHBondContact O-N 2.95Å; R251-H255 VanDerWaalsContact O-N 3.07Å
252	I	44.5	Very low	37.6	Very low	123 Å²	123	115.9 Å²	115.9	63%	0.631	57%	0.569	S	S	*	*	H	α-helix	trans	-64.9	-43.2	177.7	-63.5	168.3	0	0	0	110.4	R248 R249 L250 K254 H255 S256	R248-I252 PolarHBondContact O-N 3Å; R249-I252 PolarHBondContact O-N 3.35Å; L250-I252 VanDerWaalsContact C-N 3.33Å; L250-I252 PolarHBondContact O-N 2.88Å; I252-K254 PolarHBondContact O-N 3.33Å; I252-H255 PolarHBondContact O-N 3.33Å; I252-S256 PolarHBondContact O-N 3.27Å; I252-S256 VanDerWaalsContact O-N 3.07Å
253	K	39.3	Very low	37.5	Very low	155 Å²	155	112.6 Å²	112.6	67%	0.674	55%	0.554	S	S	*	*	H	α-helix	trans	-59	-44.4	172.5	-74.8	-176.8	175.5	-176.6	0	112.1	R249 L250 S256 F257	R249-K253 PolarHBondContact O-N 2.93Å; R249-K253 VanDerWaalsContact O-N 3.09Å; L250-K253 PolarHBondContact O-N 3.26Å; K253-S256 PolarHBondContact O-N 3.13Å; K253-F257 WeakPolarHBondContact O-CB 3.41Å; K253-F257 PolarHBondContact O-N 3.35Å
254	K	38.4	Very low	37.2	Very low	99 Å²	99	110.5 Å²	110.5	43%	0.43	55%	0.549	S	S	.	.	H	α-helix	trans	-64.6	-39.7	-179.2	-168.3	156.6	180	156.6	0	113.1	L250 R251 I252 F257 Q258 E272	L250-K254 PolarHBondContact O-N 3.09Å; R251-K254 PolarHBondContact O-N 2.96Å; I252-K254 PolarHBondContact O-N 3.33Å; K254-F257 PolarHBondContact O-N 3.3Å; K254-Q258 PolarHBondContact O-N 2.87Å; K254-E272 IonicContact NZ-OE1 2.67Å; K254-E272 PolarHBondContact NZ-OE1 3.49Å; K254-E272 IonicContact NZ-OE2 3.25Å; K254-E272 PolarHBondContact NZ-OE2 2.99Å
255	H	35.7	Very low	36.7	Very low	138 Å²	138	111.2 Å²	111.2	64%	0.639	56%	0.555	S	S	*	*	H	α-helix	trans	-68.5	-37.9	173.5	-87.4	-74.5	0	0	0	113.3	R251 I252 F257	R251-H255 PolarHBondContact O-N 2.95Å; R251-H255 VanDerWaalsContact O-N 3.07Å; I252-H255 PolarHBondContact O-N 3.33Å; H255-F257 VanDerWaalsContact C-N 3.33Å
256	S	35.6	Very low	36.1	Very low	73 Å²	73	110.2 Å²	110.2	51%	0.51	57%	0.566	S	S	.	*	H	α-helix	trans	-62.8	-40.7	173.7	-177	0	0	0	0	112.1	I252 K253 Q258 S259 T260	I252-S256 PolarHBondContact O-N 3.27Å; I252-S256 VanDerWaalsContact O-N 3.07Å; K253-S256 PolarHBondContact O-N 3.13Å; S256-Q258 PolarHBondContact O-N 2.79Å; S256-S259 PolarHBondContact O-N 2.93Å; S256-T260 PolarHBondContact O-OG1 2.87Å
257	F	32.4	Very low	36	Very low	85 Å²	85	107.2 Å²	107.2	37%	0.373	56%	0.559	S	S	.	*	H	α-helix	trans	-64.1	-38.1	-177.6	-169.9	-103	0	0	0	113.6	L205 H210 K253 K254 H255 T261	L205-F257 HydrophobicContact CD2-CE1 4.48Å; L205-F257 HydrophobicContact CD2-CE2 4.41Å; L205-F257 HydrophobicContact CD2-CZ 3.69Å; L205-F257 HydrophobicContact CG-CZ 4.29Å; H210-F257 AromaticContact CE1-CE2 3.81Å; K253-F257 WeakPolarHBondContact O-CB 3.41Å; K253-F257 PolarHBondContact O-N 3.35Å; K254-F257 PolarHBondContact O-N 3.3Å; H255-F257 VanDerWaalsContact C-N 3.33Å; F257-T261 PolarHBondContact O-OG1 3.09Å
258	Q	32.5	Very low	35.7	Very low	130 Å²	130	103.3 Å²	103.3	61%	0.607	55%	0.551	S	S	*	*	H	α-helix	trans	-74.3	-24.7	178.2	-73.5	-178.7	-25.4	0	0	113.9	K254 S256	K254-Q258 PolarHBondContact O-N 2.87Å; S256-Q258 PolarHBondContact O-N 2.79Å
259	S	33	Very low	35.9	Very low	102 Å²	102	100.2 Å²	100.2	71%	0.713	55%	0.553	S	S	*	*	H	α-helix	trans	-92.9	-7.9	-169.7	-169.3	0	0	0	0	115.3	S256	S256-S259 PolarHBondContact O-N 2.93Å
260	T	33.7	Very low	36.4	Very low	112 Å²	112	96.7 Å²	96.7	69%	0.687	55%	0.546	S	S	*	.	S	Bend	trans	-129.3	11.1	-169.4	46.6	0	0	0	0	114.8	S256	S256-T260 PolarHBondContact O-OG1 2.87Å
261	T	30.9	Very low	37.3	Very low	32 Å²	32	96.1 Å²	96.1	20%	0.196	54%	0.54	C	S	.	.			trans	-131.2	132.1	-172.8	63.2	0	0	0	0	111.4	H210 F257 V263	H210-T261 VanDerWaalsContact CE1-CG2 3.42Å; H210-T261 WeakPolarHBondContact CE1-CG2 3.34Å; H210-T261 VanDerWaalsContact NE2-CG2 3.31Å; H210-T261 WeakPolarHBondContact NE2-CG2 3.41Å; F257-T261 PolarHBondContact O-OG1 3.09Å; T261-V263 PolarHBondContact O-N 3.42Å; T261-V263 WeakPolarHBondContact OG1-CG2 3.47Å
262	G	29.7	Very low	38.2	Very low	89 Å²	89	90 Å²	90	92%	0.918	52%	0.52	S	S	*	.			trans	-72.9	39.5	174.2	0	0	0	0	0	113.1	C264	G262-C264 PolarHBondContact O-N 3.13Å
263	V	35.1	Very low	38.8	Very low	51 Å²	51	84.5 Å²	84.5	31%	0.309	49%	0.492	S	S	.	.			trans	-67.4	119.9	-179.1	170.9	0	0	0	0	108.5	T261 H265 A268	T261-V263 PolarHBondContact O-N 3.42Å; T261-V263 WeakPolarHBondContact OG1-CG2 3.47Å; V263-H265 PolarHBondContact O-N 2.91Å; V263-H265 PolarHBondContact O-ND1 2.76Å; V263-A268 HydrophobicContact CG1-CB 4.04Å
264	C	30.1	Very low	40.4	Very low	55 Å²	55	82 Å²	82	37%	0.372	49%	0.486	S	S	.	.			trans	-48.8	110.5	167.2	-71	0	0	0	0	108.3	G262 G266 S267	G262-C264 PolarHBondContact O-N 3.13Å; C264-G266 PolarHBondContact O-N 2.85Å; C264-S267 PolarHBondContact O-N 2.8Å
265	H	29.4	Very low	42	Very low	161 Å²	161	85.3 Å²	85.3	75%	0.745	50%	0.503	S	S	*	.	H	α-helix	trans	-59.8	-23.4	-170.1	-83.4	32.1	0	0	0	113.2	V263	V263-H265 PolarHBondContact O-N 2.91Å; V263-H265 PolarHBondContact O-ND1 2.76Å
266	G	29.7	Very low	43.5	Very low	61 Å²	61	85.8 Å²	85.8	63%	0.629	50%	0.503	S	S	*	.	H	α-helix	trans	-71.7	-24.4	171	0	0	0	0	0	115.3	C264	C264-G266 PolarHBondContact O-N 2.85Å
267	S	39.6	Very low	45.1	Very low	55 Å²	55	83.1 Å²	83.1	39%	0.385	48%	0.483	S	S	.	.	H	α-helix	trans	-80.3	-31.5	179.7	-76.3	0	0	0	0	113.3	C264 R271	C264-S267 PolarHBondContact O-N 2.8Å; S267-R271 WeakPolarHBondContact O-CG 3.47Å
268	A	37.4	Very low	47.1	Very low	51 Å²	51	83.3 Å²	83.3	42%	0.421	48%	0.484	S	S	.	.	H	α-helix	trans	-68	-39	-178.1	0	0	0	0	0	112.6	V263 D270 R271	V263-A268 HydrophobicContact CG1-CB 4.04Å; A268-D270 PolarHBondContact O-N 3.1Å; A268-R271 PolarHBondContact O-N 2.92Å
269	V	44.3	Very low	48.9	Very low	122 Å²	122	81.6 Å²	81.6	74%	0.739	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-26.2	-175.6	-178.5	0	0	0	0	112.6
270	D	53.4	Low	50.7	Low	81 Å²	81	77.8 Å²	77.8	43%	0.433	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	5.8	176.5	-99.5	-48.1	0	0	0	114.1	K118 A268 K286	K118-D270 IonicContact NZ-OD1 2.83Å; K118-D270 PolarHBondContact NZ-OD1 3.3Å; A268-D270 PolarHBondContact O-N 3.1Å; D270-K286 VanDerWaalsContact O-CD 3.31Å; D270-K286 WeakPolarHBondContact O-CD 3.27Å; D270-K286 PolarHBondContact O-NZ 3.3Å
271	R	58.8	Low	52.6	Low	45 Å²	45	78.3 Å²	78.3	17%	0.17	46%	0.462	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.7	-7.9	-172.6	-64.4	-76.3	163.2	164.5	-1.8	115.6	K202 I204 S267 A268 K286 D287 A288	K202-R271 PolarHBondContact O-NH1 2.93Å; I204-R271 VanDerWaalsContact CD1-NH2 3.26Å; S267-R271 WeakPolarHBondContact O-CG 3.47Å; A268-R271 PolarHBondContact O-N 2.92Å; R271-K286 WeakPolarHBondContact O-CB 3.42Å; R271-D287 WeakPolarHBondContact CD-OD2 3.44Å; R271-D287 IonicContact CZ-OD2 2.72Å; R271-D287 IonicContact NE-OD2 3.54Å; R271-D287 IonicContact NH1-OD2 3.96Å; R271-D287 PolarHBondContact NH1-OD2 3.16Å; R271-A288 WeakPolarHBondContact O-CB 3.42Å; R271-A288 PolarHBondContact O-N 2.83Å
272	E	59.1	Low	54.8	Low	71 Å²	71	77.2 Å²	77.2	33%	0.332	46%	0.455	S	S	.	.	S	Bend	trans	-99.5	152.9	156.8	-68.7	178.1	-162.6	0	0	108.1	K254 A288 D289	K254-E272 IonicContact NZ-OE1 2.67Å; K254-E272 PolarHBondContact NZ-OE1 3.49Å; K254-E272 IonicContact NZ-OE2 3.25Å; K254-E272 PolarHBondContact NZ-OE2 2.99Å; E272-A288 HydrophobicContact CG-CB 3.76Å; E272-D289 WeakPolarHBondContact CA-OD2 3.27Å
273	A	57.8	Low	57.2	Low	6 Å²	6	74.2 Å²	74.2	5%	0.05	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-64.8	133.6	168.5	0	0	0	0	0	109.9	E277 K278 T284 L285 D289	A273-E277 HydrophobicContact CB-CB 4.06Å; A273-E277 HydrophobicContact CB-CG 3.93Å; A273-K278 HydrophobicContact CB-CD 4.4Å; A273-K278 HydrophobicContact CB-CG 3.88Å; A273-K278 WeakPolarHBondContact O-CD 3.47Å; A273-K278 WeakPolarHBondContact O-CE 3.45Å; A273-T284 VanDerWaalsContact CB-O 3.29Å; A273-T284 WeakPolarHBondContact CB-O 3.45Å; A273-L285 HydrophobicContact CB-CD2 4.14Å; A273-D289 PolarHBondContact N-OD2 2.95Å
274	N	72.1	Confident	59.4	Low	104 Å²	104	72.3 Å²	72.3	56%	0.556	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-66.9	159.9	-178.8	-168.1	6.2	0	0	0	110.3	K276 E277 K278	N274-K276 PolarHBondContact O-N 2.87Å; N274-E277 WeakPolarHBondContact O-CA 3.4Å; N274-E277 WeakPolarHBondContact O-CB 3.41Å; N274-E277 PolarHBondContact O-N 2.78Å; N274-K278 PolarHBondContact O-N 2.57Å
275	E	71.7	Confident	61.9	Low	167 Å²	167	70.4 Å²	70.4	78%	0.78	39%	0.394	S	S	*	.	H	α-helix	trans	-57.8	-37.9	-179.1	-63.7	-177.3	160.5	0	0	112.3	E277 K278 S279	E275-E277 PolarHBondContact O-N 2.73Å; E275-K278 PolarHBondContact O-N 3.41Å; E275-S279 WeakPolarHBondContact O-CB 3.41Å; E275-S279 PolarHBondContact O-N 2.99Å; E275-S279 PolarHBondContact O-OG 2.86Å
276	K	68.2	Low	64.5	Low	148 Å²	148	64.7 Å²	64.7	64%	0.643	37%	0.367	S	S	*	.	H	α-helix	trans	-65	-21.5	172.9	-63.5	-171.9	178.1	-173	0	114.5	N274 S279	N274-K276 PolarHBondContact O-N 2.87Å; K276-S279 WeakPolarHBondContact CA-OG 3.33Å; K276-S279 PolarHBondContact O-OG 3Å; K276-S279 VanDerWaalsContact O-OG 3.13Å
277	E	68.7	Low	66.9	Low	17 Å²	17	62 Å²	62	8%	0.079	34%	0.338	C	S	.	.	H	α-helix	trans	-83.5	-48.5	174.4	-166.9	59.5	-148.6	0	0	109.5	A273 N274 E275 S279 K280 P283 T284 A392 D394	A273-E277 HydrophobicContact CB-CB 4.06Å; A273-E277 HydrophobicContact CB-CG 3.93Å; N274-E277 WeakPolarHBondContact O-CA 3.4Å; N274-E277 WeakPolarHBondContact O-CB 3.41Å; N274-E277 PolarHBondContact O-N 2.78Å; E275-E277 PolarHBondContact O-N 2.73Å; E277-S279 PolarHBondContact O-N 2.83Å; E277-K280 WeakPolarHBondContact O-CB 3.49Å; E277-K280 WeakPolarHBondContact O-CG 3.39Å; E277-K280 PolarHBondContact O-N 2.84Å; E277-K280 VanDerWaalsContact O-N 3.11Å; E277-K280 IonicContact OE1-NZ 2.69Å; E277-K280 PolarHBondContact OE1-NZ 2.94Å; E277-K280 VanDerWaalsContact OE2-CE 3.25Å; E277-K280 WeakPolarHBondContact OE2-CE 2.96Å; E277-K280 IonicContact OE2-NZ 2.63Å; E277-K280 PolarHBondContact OE2-NZ 2.89Å; E277-P283 WeakPolarHBondContact O-CB 3.38Å; E277-T284 WeakPolarHBondContact CG-O 3.36Å; E277-T284 WeakPolarHBondContact OE1-CB 3.5Å; E277-T284 PolarHBondContact OE1-N 3.04Å; E277-T284 PolarHBondContact OE1-OG1 3.35Å; E277-A392 VanDerWaalsContact CD-O 3.32Å; E277-D394 VanDerWaalsContact OE1-OD1 3.13Å
278	K	74.2	Confident	68.6	Low	90 Å²	90	60.3 Å²	60.3	39%	0.391	33%	0.327	S	S	.	.	H	α-helix	trans	-64.5	-20	178.6	-67.7	-177.4	172.6	177.9	0	113.7	A273 N274 E275 K280 D289	A273-K278 HydrophobicContact CB-CD 4.4Å; A273-K278 HydrophobicContact CB-CG 3.88Å; A273-K278 WeakPolarHBondContact O-CD 3.47Å; A273-K278 WeakPolarHBondContact O-CE 3.45Å; N274-K278 PolarHBondContact O-N 2.57Å; E275-K278 PolarHBondContact O-N 3.41Å; K278-K280 VanDerWaalsContact C-N 3.31Å; K278-D289 WeakPolarHBondContact CE-OD1 3.46Å; K278-D289 IonicContact NZ-OD1 3.03Å; K278-D289 PolarHBondContact NZ-OD1 2.69Å
279	S	69.2	Low	70.6	Confident	94 Å²	94	58.3 Å²	58.3	66%	0.657	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-4.1	174.2	62.6	0	0	0	0	114.9	E275 K276 E277	E275-S279 WeakPolarHBondContact O-CB 3.41Å; E275-S279 PolarHBondContact O-N 2.99Å; E275-S279 PolarHBondContact O-OG 2.86Å; K276-S279 WeakPolarHBondContact CA-OG 3.33Å; K276-S279 PolarHBondContact O-OG 3Å; K276-S279 VanDerWaalsContact O-OG 3.13Å; E277-S279 PolarHBondContact O-N 2.83Å
280	K	71.9	Confident	72.2	Confident	21 Å²	21	52.5 Å²	52.5	9%	0.091	27%	0.274	C	S	.	.	S	Bend	trans	-82	155.1	178.6	-61.4	-177.7	-170.6	164.9	0	111.2	E277 K278 L282 S391 A392 D394	E277-K280 WeakPolarHBondContact O-CB 3.49Å; E277-K280 WeakPolarHBondContact O-CG 3.39Å; E277-K280 PolarHBondContact O-N 2.84Å; E277-K280 VanDerWaalsContact O-N 3.11Å; E277-K280 IonicContact OE1-NZ 2.69Å; E277-K280 PolarHBondContact OE1-NZ 2.94Å; E277-K280 VanDerWaalsContact OE2-CE 3.25Å; E277-K280 WeakPolarHBondContact OE2-CE 2.96Å; E277-K280 IonicContact OE2-NZ 2.63Å; E277-K280 PolarHBondContact OE2-NZ 2.89Å; K278-K280 VanDerWaalsContact C-N 3.31Å; K280-L282 PolarHBondContact O-N 3.12Å; K280-S391 WeakPolarHBondContact CE-O 3.39Å; K280-S391 PolarHBondContact NZ-O 3.18Å; K280-S391 VanDerWaalsContact NZ-O 3.17Å; K280-A392 PolarHBondContact NZ-O 3.4Å; K280-A392 VanDerWaalsContact NZ-O 3.12Å; K280-D394 WeakPolarHBondContact CD-OD2 3.19Å; K280-D394 VanDerWaalsContact CE-OD2 3.31Å; K280-D394 WeakPolarHBondContact CE-OD2 3.41Å; K280-D394 IonicContact NZ-OD1 3.63Å; K280-D394 IonicContact NZ-OD2 2.64Å; K280-D394 PolarHBondContact NZ-OD2 2.74Å
281	P	72.6	Confident	73.2	Confident	123 Å²	123	53.1 Å²	53.1	80%	0.799	28%	0.277	S	S	*	.	S	Bend	trans	-62	-29	177.7	24.7	-35	0	0	0	113.6
282	L	78.2	Confident	74	Confident	10 Å²	10	54.5 Å²	54.5	5%	0.052	29%	0.291	C	S	.	.	S	Bend	trans	-135.4	86.5	174.5	-177.4	64.1	0	0	0	109.7	I195 H196 K198 K280 L396 G397	I195-L282 HydrophobicContact CB-CD2 4.16Å; I195-L282 HydrophobicContact CG2-CD1 4.42Å; I195-L282 HydrophobicContact CG2-CD2 4.17Å; I195-L282 WeakPolarHBondContact O-CD1 3.07Å; I195-L282 WeakPolarHBondContact O-CD2 3.42Å; H196-L282 VanDerWaalsContact C-CD1 3.41Å; H196-L282 WeakPolarHBondContact O-CD1 3.39Å; K198-L282 PolarHBondContact NZ-O 3.26Å; K280-L282 PolarHBondContact O-N 3.12Å; L282-L396 WeakPolarHBondContact CD2-O 3.47Å; L282-G397 WeakPolarHBondContact CD2-O 3.31Å
283	P	80.7	Confident	74.6	Confident	26 Å²	26	54.9 Å²	54.9	17%	0.169	30%	0.295	C	S	.	.			trans	-69.8	149.5	-173.2	29.2	-36.3	0	0	0	112.8	E277 L285	E277-P283 WeakPolarHBondContact O-CB 3.38Å; P283-L285 HydrophobicContact CB-CD2 4.23Å; P283-L285 HydrophobicContact CG-CD2 4.11Å; P283-L285 HydrophobicContact CG-CG 4.22Å; P283-L285 PolarHBondContact O-N 3.38Å
284	T	81.2	Confident	74.9	Confident	11 Å²	11	55.4 Å²	55.4	7%	0.067	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	94.4	164.6	-45.9	0	0	0	0	110.4	K198 D200 A273 E277 G393 D394	K198-T284 WeakPolarHBondContact CE-OG1 3.45Å; K198-T284 PolarHBondContact NZ-OG1 3.26Å; D200-T284 HydrophobicContact CB-CG2 3.72Å; A273-T284 VanDerWaalsContact CB-O 3.29Å; A273-T284 WeakPolarHBondContact CB-O 3.45Å; E277-T284 WeakPolarHBondContact CG-O 3.36Å; E277-T284 WeakPolarHBondContact OE1-CB 3.5Å; E277-T284 PolarHBondContact OE1-N 3.04Å; E277-T284 PolarHBondContact OE1-OG1 3.35Å; T284-G393 WeakPolarHBondContact OG1-CA 3.43Å; T284-G393 PolarHBondContact OG1-O 3.03Å; T284-D394 PolarHBondContact N-OD1 3.08Å; T284-D394 PolarHBondContact OG1-OD1 3.34Å
285	L	82.7	Confident	74.4	Confident	14 Å²	14	56 Å²	56	7%	0.073	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	162	175.9	-60.4	177	0	0	0	110.9	K198 Y199 D200 A273 P283 D289 D293	K198-L285 WeakPolarHBondContact O-CB 3.32Å; K198-L285 PolarHBondContact O-N 3.24Å; Y199-L285 CarbonylContact C-O 3.55Å; Y199-L285 VanDerWaalsContact CA-O 3.28Å; Y199-L285 WeakPolarHBondContact CA-O 3.38Å; Y199-L285 HydrophobicContact CD1-CB 3.37Å; Y199-L285 HydrophobicContact CD1-CD1 4.16Å; Y199-L285 HydrophobicContact CD1-CG 4.4Å; Y199-L285 HydrophobicContact CE1-CB 3.56Å; Y199-L285 HydrophobicContact CE1-CD1 3.47Å; Y199-L285 VanDerWaalsContact CE1-CD1 3.47Å; Y199-L285 HydrophobicContact CE1-CG 4.17Å; Y199-L285 HydrophobicContact CG-CB 4.21Å; D200-L285 PolarHBondContact N-O 3.3Å; A273-L285 HydrophobicContact CB-CD2 4.14Å; P283-L285 HydrophobicContact CB-CD2 4.23Å; P283-L285 HydrophobicContact CG-CD2 4.11Å; P283-L285 HydrophobicContact CG-CG 4.22Å; P283-L285 PolarHBondContact O-N 3.38Å; L285-D289 HydrophobicContact CB-CB 3.88Å; L285-D289 HydrophobicContact CD2-CB 4.07Å; L285-D289 HydrophobicContact CG-CB 4.41Å; L285-D293 WeakPolarHBondContact CD1-OD2 3.28Å
286	K	83.5	Confident	74.6	Confident	42 Å²	42	51.6 Å²	51.6	18%	0.183	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	-178.4	-173.4	-70.2	-176.3	-176.6	168.8	0	113.4	D270 R271 A288 D289 F290	D270-K286 VanDerWaalsContact O-CD 3.31Å; D270-K286 WeakPolarHBondContact O-CD 3.27Å; D270-K286 PolarHBondContact O-NZ 3.3Å; R271-K286 WeakPolarHBondContact O-CB 3.42Å; K286-A288 PolarHBondContact O-N 2.65Å; K286-D289 PolarHBondContact N-OD2 2.88Å; K286-D289 PolarHBondContact O-N 3Å; K286-F290 PolarHBondContact O-N 3.28Å
287	D	79.4	Confident	75.4	Confident	3 Å²	3	44.7 Å²	44.7	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-35.1	-48.2	177.8	-56.3	-50.1	0	0	0	114.5	L201 K202 N203 R271	L201-D287 WeakPolarHBondContact CA-OD1 3.42Å; K202-D287 PolarHBondContact N-OD1 2.98Å; N203-D287 VanDerWaalsContact CA-OD1 3.3Å; N203-D287 WeakPolarHBondContact CA-OD1 3.39Å; N203-D287 PolarHBondContact N-OD1 2.73Å; R271-D287 WeakPolarHBondContact CD-OD2 3.44Å; R271-D287 IonicContact CZ-OD2 2.72Å; R271-D287 IonicContact NE-OD2 3.54Å; R271-D287 IonicContact NH1-OD2 3.96Å; R271-D287 PolarHBondContact NH1-OD2 3.16Å
288	A	74.8	Confident	76.2	Confident	20 Å²	20	47 Å²	47	17%	0.165	27%	0.267	C	S	.	.	H	α-helix	trans	-83.9	-29.9	-176.3	0	0	0	0	0	114	R271 E272 K286 T292	R271-A288 WeakPolarHBondContact O-CB 3.42Å; R271-A288 PolarHBondContact O-N 2.83Å; E272-A288 HydrophobicContact CG-CB 3.76Å; K286-A288 PolarHBondContact O-N 2.65Å; A288-T292 PolarHBondContact O-OG1 3.45Å
289	D	80.2	Confident	76.9	Confident	9 Å²	9	42.9 Å²	42.9	5%	0.048	25%	0.249	C	C	.	.	H	α-helix	trans	-71.5	-40.3	174.2	-53.5	-66.3	0	0	0	110.2	E272 A273 K278 L285 K286 L291 T292 D293	E272-D289 WeakPolarHBondContact CA-OD2 3.27Å; A273-D289 PolarHBondContact N-OD2 2.95Å; K278-D289 WeakPolarHBondContact CE-OD1 3.46Å; K278-D289 IonicContact NZ-OD1 3.03Å; K278-D289 PolarHBondContact NZ-OD1 2.69Å; L285-D289 HydrophobicContact CB-CB 3.88Å; L285-D289 HydrophobicContact CD2-CB 4.07Å; L285-D289 HydrophobicContact CG-CB 4.41Å; K286-D289 PolarHBondContact N-OD2 2.88Å; K286-D289 PolarHBondContact O-N 3Å; D289-L291 PolarHBondContact O-N 3.46Å; D289-T292 WeakPolarHBondContact O-CA 3.36Å; D289-T292 WeakPolarHBondContact O-CB 3.28Å; D289-T292 PolarHBondContact O-N 3.5Å; D289-D293 PolarHBondContact O-N 3.24Å
290	F	78.4	Confident	77.8	Confident	1 Å²	1	39.4 Å²	39.4	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-55.3	-51	177.2	-175.5	-85.3	0	0	0	112	Y199 L201 K286 T292 D293 L294 M297 I330 F557 C561	Y199-F290 HydrophobicContact CD1-CB 3.72Å; Y199-F290 AromaticContact CD1-CD2 3.62Å; Y199-F290 HydrophobicContact CD1-CD2 3.62Å; Y199-F290 HydrophobicContact CD1-CG 4.16Å; Y199-F290 AromaticContact CD2-CD2 3.97Å; Y199-F290 HydrophobicContact CD2-CD2 3.97Å; Y199-F290 HydrophobicContact CD2-CE2 4.41Å; Y199-F290 HydrophobicContact CE1-CB 4.06Å; Y199-F290 AromaticContact CE1-CD2 3.97Å; Y199-F290 HydrophobicContact CE1-CD2 3.97Å; Y199-F290 HydrophobicContact CE1-CG 4.45Å; Y199-F290 HydrophobicContact CE2-CD2 4.3Å; Y199-F290 HydrophobicContact CG-CB 4.48Å; Y199-F290 AromaticContact CG-CD2 3.63Å; Y199-F290 HydrophobicContact CG-CD2 3.63Å; Y199-F290 HydrophobicContact CG-CE2 4.44Å; L201-F290 HydrophobicContact CD1-CD2 4.2Å; L201-F290 HydrophobicContact CD1-CE2 4.37Å; L201-F290 HydrophobicContact CD1-CG 4.47Å; L201-F290 HydrophobicContact CD2-CB 3.86Å; L201-F290 HydrophobicContact CD2-CD2 4.29Å; L201-F290 HydrophobicContact CD2-CG 4.11Å; K286-F290 PolarHBondContact O-N 3.28Å; F290-T292 PolarHBondContact O-N 3.25Å; F290-D293 PolarHBondContact O-N 3.48Å; F290-L294 HydrophobicContact CD2-CB 4.48Å; F290-L294 HydrophobicContact CD2-CD1 4.24Å; F290-L294 HydrophobicContact CE2-CB 4.2Å; F290-L294 HydrophobicContact CE2-CD1 3.82Å; F290-L294 HydrophobicContact CZ-CB 4.24Å; F290-L294 HydrophobicContact CZ-CD1 4.48Å; F290-L294 CarbonylContact O-C 3.55Å; F290-L294 PolarHBondContact O-N 2.59Å; F290-M297 HydrophobicContact CE2-SD 4.45Å; F290-M297 HydrophobicContact CZ-CG 3.96Å; F290-M297 HydrophobicContact CZ-SD 4.06Å; F290-I330 HydrophobicContact CE2-CD1 4.13Å; F290-F557 HydrophobicContact CD1-CZ 4.36Å; F290-C561 HydrophobicContact CE1-CB 3.63Å; F290-C561 WeakPolarHBondContact CE1-SG 3.39Å; F290-C561 HydrophobicContact CZ-CB 4.01Å
291	L	75	Confident	78.8	Confident	93 Å²	93	46.4 Å²	46.4	49%	0.487	26%	0.261	S	S	.	.	H	α-helix	trans	-62.1	-13.1	176.3	-72	172.4	0	0	0	114.2	L205 D289 F557	L205-L291 HydrophobicContact CD2-CD1 4.41Å; D289-L291 PolarHBondContact O-N 3.46Å; L291-F557 HydrophobicContact CD1-CE2 4.38Å; L291-F557 HydrophobicContact CD2-CE2 4.11Å; L291-F557 HydrophobicContact CG-CE2 4.25Å
292	T	74.5	Confident	79.7	Confident	75 Å²	75	48.6 Å²	48.6	46%	0.46	26%	0.261	S	S	.	.	H	α-helix	trans	-97	-40.3	176.7	-55.6	0	0	0	0	111.7	L250 A288 D289 F290	L250-T292 HydrophobicContact CD1-CG2 4.46Å; L250-T292 HydrophobicContact CD2-CG2 4.06Å; A288-T292 PolarHBondContact O-OG1 3.45Å; D289-T292 WeakPolarHBondContact O-CA 3.36Å; D289-T292 WeakPolarHBondContact O-CB 3.28Å; D289-T292 PolarHBondContact O-N 3.5Å; F290-T292 PolarHBondContact O-N 3.25Å
293	D	72	Confident	80.3	Confident	78 Å²	78	50.7 Å²	50.7	42%	0.417	28%	0.276	S	S	.	.	H	α-helix	trans	-98.2	-28.3	-168	-67.3	-11.3	0	0	0	114.4	L285 D289 F290	L285-D293 WeakPolarHBondContact CD1-OD2 3.28Å; D289-D293 PolarHBondContact O-N 3.24Å; F290-D293 PolarHBondContact O-N 3.48Å
294	L	64.9	Low	80.9	Confident	17 Å²	17	51.5 Å²	51.5	9%	0.089	28%	0.277	C	S	.	.			trans	-128.9	90.4	177.7	-76.6	172.2	0	0	0	107.9	Y199 F290 K296 V332	Y199-L294 HydrophobicContact CD2-CD1 4.23Å; Y199-L294 HydrophobicContact CE2-CD1 3.39Å; Y199-L294 HydrophobicContact CE2-CG 4.38Å; F290-L294 HydrophobicContact CD2-CB 4.48Å; F290-L294 HydrophobicContact CD2-CD1 4.24Å; F290-L294 HydrophobicContact CE2-CB 4.2Å; F290-L294 HydrophobicContact CE2-CD1 3.82Å; F290-L294 HydrophobicContact CZ-CB 4.24Å; F290-L294 HydrophobicContact CZ-CD1 4.48Å; F290-L294 CarbonylContact O-C 3.55Å; F290-L294 PolarHBondContact O-N 2.59Å; L294-K296 PolarHBondContact O-N 2.58Å; L294-K296 VanDerWaalsContact O-N 3.15Å; L294-V332 HydrophobicContact CD1-CG2 4.06Å
295	C	60.4	Low	81.5	Confident	118 Å²	118	58.6 Å²	58.6	80%	0.797	31%	0.307	S	S	*	.	S	Bend	trans	-50.6	-42.8	-179.2	-168	0	0	0	0	111.5
296	K	77.1	Confident	82	Confident	73 Å²	73	63.8 Å²	63.8	32%	0.317	33%	0.329	S	S	.	.			trans	-154.9	157	166.4	-62.7	-179.7	-173.4	167	0	111.2	L294 H298 C561 D563	L294-K296 PolarHBondContact O-N 2.58Å; L294-K296 VanDerWaalsContact O-N 3.15Å; K296-H298 PolarHBondContact O-ND1 3.43Å; K296-C561 CarbonylContact C-O 3.59Å; K296-C561 WeakPolarHBondContact CA-O 3.33Å; K296-D563 HydrophobicContact CB-CB 4.08Å; K296-D563 HydrophobicContact CD-CB 3.45Å; K296-D563 VanDerWaalsContact CD-CB 3.45Å; K296-D563 WeakPolarHBondContact CD-OD2 3.45Å; K296-D563 HydrophobicContact CG-CB 4.45Å; K296-D563 IonicContact NZ-OD1 3.86Å; K296-D563 PolarHBondContact NZ-OD1 3.44Å; K296-D563 IonicContact NZ-OD2 3.26Å; K296-D563 PolarHBondContact NZ-OD2 3.18Å
297	M	83.9	Confident	82.5	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.015	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-83.3	121.2	164.1	-62.3	168.8	77.8	0	0	108.9	F290 I299 I330 Y512 V514 C561 I562 D563	F290-M297 HydrophobicContact CE2-SD 4.45Å; F290-M297 HydrophobicContact CZ-CG 3.96Å; F290-M297 HydrophobicContact CZ-SD 4.06Å; M297-I299 HydrophobicContact CB-CD1 4.23Å; M297-I299 HydrophobicContact CB-CG1 4.27Å; M297-I299 HydrophobicContact CE-CD1 4.06Å; M297-I299 PolarHBondContact O-N 2.94Å; M297-I330 HydrophobicContact CE-CD1 4.12Å; M297-I330 HydrophobicContact CE-CG2 4Å; M297-I330 HydrophobicContact SD-CD1 3.71Å; M297-Y512 HydrophobicContact CB-CE1 4.2Å; M297-Y512 HydrophobicContact CE-CD1 3.51Å; M297-Y512 HydrophobicContact CE-CD2 4.22Å; M297-Y512 HydrophobicContact CE-CE1 4.19Å; M297-Y512 HydrophobicContact CE-CG 3.52Å; M297-Y512 HydrophobicContact CG-CD1 4.3Å; M297-Y512 HydrophobicContact CG-CE1 4.05Å; M297-V514 HydrophobicContact CE-CG2 3.95Å; M297-C561 PolarHBondContact N-O 2.9Å; M297-I562 CarbonylContact O-C 3.59Å; M297-I562 WeakPolarHBondContact O-CA 3.48Å; M297-D563 PolarHBondContact O-N 3.26Å
298	H	85.9	Confident	83.2	Confident	67 Å²	67	63.1 Å²	63.1	31%	0.31	33%	0.327	S	S	.	.			trans	-89.5	100.7	-179.9	-58.6	81.2	0	0	0	109.1	K296 S502 S503 Y512	K296-H298 PolarHBondContact O-ND1 3.43Å; H298-S502 CarbonylContact O-C 3.53Å; H298-S502 WeakPolarHBondContact O-CA 3.49Å; H298-S502 VanDerWaalsContact O-CB 3.24Å; H298-S502 WeakPolarHBondContact O-CB 3.41Å; H298-S503 PolarHBondContact O-N 3.09Å; H298-Y512 PolarHBondContact N-OH 3.27Å
299	I	88.8	Confident	84.2	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.015	34%	0.337	C	S	.	.			trans	-124.4	130.3	-175.5	-59.8	176.2	0	0	0	108.5	M297 S303 K304 M307 I500 Y512 I562 D563	M297-I299 HydrophobicContact CB-CD1 4.23Å; M297-I299 HydrophobicContact CB-CG1 4.27Å; M297-I299 HydrophobicContact CE-CD1 4.06Å; M297-I299 PolarHBondContact O-N 2.94Å; I299-S303 VanDerWaalsContact CG2-CB 3.49Å; I299-K304 HydrophobicContact CG2-CB 4.39Å; I299-M307 HydrophobicContact CD1-CE 3.76Å; I299-M307 HydrophobicContact CD1-SD 4.4Å; I299-I500 HydrophobicContact CD1-CG2 4.36Å; I299-I500 HydrophobicContact CG2-CG2 3.82Å; I299-Y512 HydrophobicContact CD1-CD2 4.33Å; I299-Y512 HydrophobicContact CG1-CD2 4.05Å; I299-Y512 HydrophobicContact CG1-CE2 3.99Å; I299-I562 HydrophobicContact CB-CG2 3.98Å; I299-I562 HydrophobicContact CD1-CG2 4.18Å; I299-I562 HydrophobicContact CG1-CG2 4.25Å; I299-D563 PolarHBondContact N-O 3.46Å
300	G	88.8	Confident	85	Confident	21 Å²	21	65.5 Å²	65.5	22%	0.216	34%	0.342	C	S	.	.			trans	-56.1	144	179.1	0	0	0	0	0	112.7	E302 S303 K304	G300-E302 VanDerWaalsContact C-N 3.29Å; G300-E302 PolarHBondContact O-N 2.99Å; G300-E302 VanDerWaalsContact O-N 3.13Å; G300-S303 WeakPolarHBondContact O-CA 3.21Å; G300-S303 WeakPolarHBondContact O-CB 3.49Å; G300-S303 PolarHBondContact O-N 2.89Å; G300-K304 PolarHBondContact O-N 2.97Å
301	E	91.1	Very high	85.8	Confident	168 Å²	168	65.5 Å²	65.5	79%	0.785	34%	0.342	S	S	*	.	H	α-helix	trans	-52.5	-41	-168.2	-169.9	-176.7	167.9	0	0	113.9	K304 K305	E301-K304 PolarHBondContact O-N 3.33Å; E301-K305 WeakPolarHBondContact O-CB 3.39Å; E301-K305 PolarHBondContact O-N 3.19Å
302	E	92.1	Very high	86.7	Confident	169 Å²	169	66 Å²	66	79%	0.79	34%	0.342	S	S	*	.	H	α-helix	trans	-61.6	-47.1	176.1	-174.3	-177.5	-175.7	0	0	112.2	G300 K305 K306	G300-E302 VanDerWaalsContact C-N 3.29Å; G300-E302 PolarHBondContact O-N 2.99Å; G300-E302 VanDerWaalsContact O-N 3.13Å; E302-K305 PolarHBondContact O-N 2.84Å; E302-K306 WeakPolarHBondContact O-CB 3.49Å; E302-K306 PolarHBondContact O-N 3.42Å
303	S	91.9	Very high	87.7	Confident	53 Å²	53	65.6 Å²	65.6	37%	0.371	34%	0.341	S	S	.	.	H	α-helix	trans	-67.2	-37.6	177.1	-69.7	0	0	0	0	111.8	I299 G300 M307	I299-S303 VanDerWaalsContact CG2-CB 3.49Å; G300-S303 WeakPolarHBondContact O-CA 3.21Å; G300-S303 WeakPolarHBondContact O-CB 3.49Å; G300-S303 PolarHBondContact O-N 2.89Å; S303-M307 VanDerWaalsContact O-CB 3.28Å; S303-M307 WeakPolarHBondContact O-CB 3.39Å; S303-M307 PolarHBondContact O-N 2.89Å
304	K	92.8	Very high	88.9	Confident	43 Å²	43	61.9 Å²	61.9	19%	0.187	32%	0.321	C	S	.	.	H	α-helix	trans	-60.2	-51.1	173.2	179	176.1	-166.5	167	0	110.7	I299 G300 E301 M307 L308 I562 D563	I299-K304 HydrophobicContact CG2-CB 4.39Å; G300-K304 PolarHBondContact O-N 2.97Å; E301-K304 PolarHBondContact O-N 3.33Å; K304-M307 PolarHBondContact O-N 2.74Å; K304-L308 HydrophobicContact CG-CD1 4.03Å; K304-L308 WeakPolarHBondContact O-CB 3.4Å; K304-L308 WeakPolarHBondContact O-CG 3.47Å; K304-L308 PolarHBondContact O-N 3.23Å; K304-I562 HydrophobicContact CB-CG2 4.36Å; K304-I562 HydrophobicContact CD-CB 4.42Å; K304-I562 HydrophobicContact CD-CG2 3.69Å; K304-I562 HydrophobicContact CG-CG2 3.84Å; K304-I562 PolarHBondContact NZ-O 3.39Å; K304-D563 PolarHBondContact NZ-OXT 3.18Å
305	K	93.9	Very high	90.3	Very high	160 Å²	160	61.2 Å²	61.2	70%	0.696	32%	0.318	S	S	*	.	H	α-helix	trans	-60.2	-46.3	177.7	-174.7	178.6	-178.4	178.2	0	112	E301 E302 S309	E301-K305 WeakPolarHBondContact O-CB 3.39Å; E301-K305 PolarHBondContact O-N 3.19Å; E302-K305 PolarHBondContact O-N 2.84Å; K305-S309 WeakPolarHBondContact O-CB 3.41Å; K305-S309 PolarHBondContact O-N 3.08Å; K305-S309 PolarHBondContact O-OG 3.33Å
306	K	93.7	Very high	91.9	Very high	123 Å²	123	60.7 Å²	60.7	54%	0.535	30%	0.304	S	S	.	.	H	α-helix	trans	-59.3	-51.5	176	-174.7	-179.6	176.2	-174.1	0	110.9	E302 L308 S309 T310	E302-K306 WeakPolarHBondContact O-CB 3.49Å; E302-K306 PolarHBondContact O-N 3.42Å; K306-L308 PolarHBondContact O-N 3.48Å; K306-S309 PolarHBondContact O-N 2.93Å; K306-S309 PolarHBondContact O-OG 3.16Å; K306-T310 PolarHBondContact O-N 2.84Å; K306-T310 PolarHBondContact O-OG1 3.08Å
307	M	93.8	Very high	92.8	Very high	9 Å²	9	57.6 Å²	57.6	4%	0.044	29%	0.291	C	S	.	.	H	α-helix	trans	-60.8	-45.9	-179.1	-174.8	179.5	63.4	0	0	112.4	L163 I299 S303 K304 T310 L311 I500 V514 I562	L163-M307 HydrophobicContact CD1-CG 4.23Å; I299-M307 HydrophobicContact CD1-CE 3.76Å; I299-M307 HydrophobicContact CD1-SD 4.4Å; S303-M307 VanDerWaalsContact O-CB 3.28Å; S303-M307 WeakPolarHBondContact O-CB 3.39Å; S303-M307 PolarHBondContact O-N 2.89Å; K304-M307 PolarHBondContact O-N 2.74Å; M307-T310 PolarHBondContact O-N 3.34Å; M307-L311 VanDerWaalsContact O-CB 3.28Å; M307-L311 WeakPolarHBondContact O-CB 3.31Å; M307-L311 PolarHBondContact O-N 3.03Å; M307-I500 HydrophobicContact CB-CD1 4.09Å; M307-I500 HydrophobicContact CG-CD1 3.9Å; M307-I500 HydrophobicContact SD-CD1 3.37Å; M307-I500 WeakPolarHBondContact SD-CD1 3.47Å; M307-V514 HydrophobicContact SD-CB 4.3Å; M307-V514 HydrophobicContact SD-CG1 4.11Å; M307-V514 HydrophobicContact SD-CG2 4.18Å; M307-I562 HydrophobicContact CE-CD1 3.25Å; M307-I562 HydrophobicContact CE-CG1 3.99Å
308	L	94.3	Very high	93.3	Very high	22 Å²	22	57.5 Å²	57.5	12%	0.115	29%	0.29	C	S	.	.	H	α-helix	trans	-63.2	-45	178	-70.9	173.7	0	0	0	111.7	K304 K306 T310 L311 E312 L555 V558 E559 I562	K304-L308 HydrophobicContact CG-CD1 4.03Å; K304-L308 WeakPolarHBondContact O-CB 3.4Å; K304-L308 WeakPolarHBondContact O-CG 3.47Å; K304-L308 PolarHBondContact O-N 3.23Å; K306-L308 PolarHBondContact O-N 3.48Å; L308-T310 VanDerWaalsContact C-N 3.32Å; L308-T310 PolarHBondContact O-N 2.71Å; L308-L311 PolarHBondContact O-N 2.75Å; L308-E312 WeakPolarHBondContact O-CB 3.41Å; L308-E312 WeakPolarHBondContact O-CG 3.16Å; L308-E312 PolarHBondContact O-N 2.95Å; L308-L555 HydrophobicContact CD2-CD1 4.27Å; L308-V558 HydrophobicContact CD2-CG1 4.32Å; L308-E559 HydrophobicContact CD1-CG 4.43Å; L308-E559 HydrophobicContact CD2-CB 4.41Å; L308-I562 HydrophobicContact CD2-CD1 4.18Å
309	S	95.2	Very high	93.6	Very high	55 Å²	55	56.3 Å²	56.3	39%	0.385	29%	0.285	S	S	.	.	H	α-helix	trans	-63.7	-34.3	177.1	69.1	0	0	0	0	113.5	K305 K306 C313	K305-S309 WeakPolarHBondContact O-CB 3.41Å; K305-S309 PolarHBondContact O-N 3.08Å; K305-S309 PolarHBondContact O-OG 3.33Å; K306-S309 PolarHBondContact O-N 2.93Å; K306-S309 PolarHBondContact O-OG 3.16Å; S309-C313 PolarHBondContact O-N 3.43Å; S309-C313 PolarHBondContact O-SG 3.3Å; S309-C313 VanDerWaalsContact O-SG 3.38Å
310	T	95.7	Very high	93.7	Very high	25 Å²	25	61.9 Å²	61.9	15%	0.153	31%	0.311	C	S	.	.	H	α-helix	trans	-69.6	-44.4	172.9	-53.4	0	0	0	0	110.7	L163 K306 M307 L308 E312 C313 D314	L163-T310 HydrophobicContact CG-CG2 4.01Å; K306-T310 PolarHBondContact O-N 2.84Å; K306-T310 PolarHBondContact O-OG1 3.08Å; M307-T310 PolarHBondContact O-N 3.34Å; L308-T310 VanDerWaalsContact C-N 3.32Å; L308-T310 PolarHBondContact O-N 2.71Å; T310-E312 VanDerWaalsContact C-N 3.33Å; T310-E312 PolarHBondContact O-N 2.99Å; T310-C313 PolarHBondContact O-N 3.17Å; T310-D314 WeakPolarHBondContact O-CB 3.31Å; T310-D314 PolarHBondContact O-N 3.22Å
311	L	95	Very high	93.8	Very high	1 Å²	1	62 Å²	62	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-62.7	-37.7	178.5	-177.3	59.9	0	0	0	112.3	L163 M307 L308 I315 L328 I516 L555 V558	L163-L311 HydrophobicContact CD1-CB 3.96Å; L163-L311 HydrophobicContact CD1-CD1 4.18Å; M307-L311 VanDerWaalsContact O-CB 3.28Å; M307-L311 WeakPolarHBondContact O-CB 3.31Å; M307-L311 PolarHBondContact O-N 3.03Å; L308-L311 PolarHBondContact O-N 2.75Å; L311-I315 HydrophobicContact CD1-CD1 3.73Å; L311-I315 HydrophobicContact CD1-CG1 4.06Å; L311-I315 HydrophobicContact CD2-CD1 4.49Å; L311-I315 HydrophobicContact CG-CD1 3.75Å; L311-I315 HydrophobicContact CG-CG1 4.43Å; L311-I315 WeakPolarHBondContact O-CB 3.39Å; L311-I315 WeakPolarHBondContact O-CG1 3.46Å; L311-I315 PolarHBondContact O-N 3.01Å; L311-L328 HydrophobicContact CD1-CD1 4.26Å; L311-I516 HydrophobicContact CD1-CD1 3.89Å; L311-I516 HydrophobicContact CD1-CG1 4.22Å; L311-L555 HydrophobicContact CD2-CD1 4.07Å; L311-L555 HydrophobicContact CG-CD1 4.17Å; L311-V558 HydrophobicContact CD2-CB 3.94Å; L311-V558 HydrophobicContact CD2-CG1 3.68Å; L311-V558 HydrophobicContact CD2-CG2 4.1Å
312	E	95.3	Very high	93.8	Very high	104 Å²	104	57.2 Å²	57.2	49%	0.486	29%	0.286	S	S	.	.	H	α-helix	trans	-59.8	-52.5	173.1	-79	172.3	-179.8	0	0	111.9	L308 T310 D314 I315 Q316 L555	L308-E312 WeakPolarHBondContact O-CB 3.41Å; L308-E312 WeakPolarHBondContact O-CG 3.16Å; L308-E312 PolarHBondContact O-N 2.95Å; T310-E312 VanDerWaalsContact C-N 3.33Å; T310-E312 PolarHBondContact O-N 2.99Å; E312-D314 PolarHBondContact O-N 2.85Å; E312-I315 PolarHBondContact O-N 2.85Å; E312-Q316 WeakPolarHBondContact O-CB 3.49Å; E312-Q316 PolarHBondContact O-N 2.81Å; E312-L555 HydrophobicContact CG-CD1 3.8Å; E312-L555 HydrophobicContact CG-CD2 3.62Å; E312-L555 HydrophobicContact CG-CG 4.37Å
313	C	95.9	Very high	93.7	Very high	65 Å²	65	49.2 Å²	49.2	44%	0.439	25%	0.249	S	C	.	.	H	α-helix	trans	-59.9	-43.7	177	-70.6	0	0	0	0	112.2	Y154 S309 T310 Q316 F317	Y154-C313 WeakPolarHBondContact OH-CB 3.16Å; Y154-C313 PolarHBondContact OH-O 2.74Å; S309-C313 PolarHBondContact O-N 3.43Å; S309-C313 PolarHBondContact O-SG 3.3Å; S309-C313 VanDerWaalsContact O-SG 3.38Å; T310-C313 PolarHBondContact O-N 3.17Å; C313-Q316 PolarHBondContact O-N 2.85Å; C313-F317 PolarHBondContact O-N 2.83Å
314	D	96.7	Very high	93.5	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.5	-43.3	179.4	-70	-24	0	0	0	111.3	Y154 T162 L163 L164 T310 E312 F317 L318 I516	Y154-D314 VanDerWaalsContact CE1-OD1 3.28Å; Y154-D314 WeakPolarHBondContact CE1-OD1 3.42Å; Y154-D314 VanDerWaalsContact CZ-OD1 3.32Å; Y154-D314 WeakPolarHBondContact OH-CA 3.31Å; Y154-D314 PolarHBondContact OH-N 3.03Å; Y154-D314 VanDerWaalsContact OH-N 3.11Å; Y154-D314 PolarHBondContact OH-OD1 2.86Å; T162-D314 WeakPolarHBondContact CB-OD1 3.28Å; T162-D314 PolarHBondContact OG1-OD1 2.98Å; T162-D314 PolarHBondContact OG1-OD2 2.77Å; L163-D314 WeakPolarHBondContact CA-OD2 3.43Å; L163-D314 VanDerWaalsContact CB-OD2 3.28Å; L163-D314 WeakPolarHBondContact CB-OD2 3.41Å; L163-D314 PolarHBondContact N-OD2 3.38Å; L164-D314 HydrophobicContact CD2-CB 4.22Å; L164-D314 HydrophobicContact CG-CB 4.03Å; T310-D314 WeakPolarHBondContact O-CB 3.31Å; T310-D314 PolarHBondContact O-N 3.22Å; E312-D314 PolarHBondContact O-N 2.85Å; D314-F317 PolarHBondContact O-N 2.98Å; D314-L318 VanDerWaalsContact O-CG 3.27Å; D314-L318 WeakPolarHBondContact O-CG 3.31Å; D314-L318 PolarHBondContact O-N 2.92Å; D314-I516 HydrophobicContact CB-CD1 3.7Å
315	I	94.2	Very high	93.2	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-64.9	-39.3	176	-76.4	172.7	0	0	0	111	L311 E312 L318 Q319 G551 L554 L555	L311-I315 HydrophobicContact CD1-CD1 3.73Å; L311-I315 HydrophobicContact CD1-CG1 4.06Å; L311-I315 HydrophobicContact CD2-CD1 4.49Å; L311-I315 HydrophobicContact CG-CD1 3.75Å; L311-I315 HydrophobicContact CG-CG1 4.43Å; L311-I315 WeakPolarHBondContact O-CB 3.39Å; L311-I315 WeakPolarHBondContact O-CG1 3.46Å; L311-I315 PolarHBondContact O-N 3.01Å; E312-I315 PolarHBondContact O-N 2.85Å; I315-L318 PolarHBondContact O-N 3.2Å; I315-Q319 HydrophobicContact CG2-CG 4.45Å; I315-Q319 VanDerWaalsContact O-CG 3.26Å; I315-Q319 WeakPolarHBondContact O-CG 3.36Å; I315-Q319 PolarHBondContact O-N 3.3Å; I315-G551 VanDerWaalsContact CG2-CA 3.49Å; I315-L554 HydrophobicContact CD1-CB 4.4Å; I315-L554 HydrophobicContact CD1-CD2 4.32Å; I315-L555 HydrophobicContact CD1-CB 4.07Å
316	Q	94.4	Very high	93.1	Very high	107 Å²	107	40.2 Å²	40.2	50%	0.5	21%	0.206	S	C	.	.	H	α-helix	trans	-60.4	-48	174.3	-178.8	-178.9	-21	0	0	111	E312 C313 L318 Q319 E320	E312-Q316 WeakPolarHBondContact O-CB 3.49Å; E312-Q316 PolarHBondContact O-N 2.81Å; C313-Q316 PolarHBondContact O-N 2.85Å; Q316-L318 VanDerWaalsContact C-N 3.3Å; Q316-L318 PolarHBondContact O-N 3.16Å; Q316-Q319 WeakPolarHBondContact O-CB 3.48Å; Q316-Q319 PolarHBondContact O-N 3.4Å; Q316-Q319 VanDerWaalsContact O-N 3.09Å; Q316-E320 HydrophobicContact CG-CG 4.47Å; Q316-E320 WeakPolarHBondContact CG-OE1 3.12Å; Q316-E320 PolarHBondContact NE2-OE1 2.95Å; Q316-E320 WeakPolarHBondContact O-CG 3.37Å; Q316-E320 PolarHBondContact O-N 2.87Å
317	F	95	Very high	92.9	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.035	18%	0.18	C	C	.	.	H	α-helix	trans	-55.8	-43.1	175.3	168.4	-94.3	0	0	0	112.4	E150 Y151 Y154 L164 C313 D314 E320 N321	E150-F317 HydrophobicContact CB-CE2 4.06Å; Y151-F317 HydrophobicContact CD2-CE1 4.35Å; Y151-F317 HydrophobicContact CD2-CZ 4.23Å; Y154-F317 HydrophobicContact CD1-CD2 4.29Å; Y154-F317 HydrophobicContact CD1-CG 4.21Å; Y154-F317 HydrophobicContact CD2-CB 3.94Å; Y154-F317 AromaticContact CD2-CD2 3.89Å; Y154-F317 HydrophobicContact CD2-CD2 3.89Å; Y154-F317 HydrophobicContact CD2-CG 4.1Å; Y154-F317 HydrophobicContact CE1-CB 4.5Å; Y154-F317 HydrophobicContact CE2-CB 3.89Å; Y154-F317 HydrophobicContact CE2-CG 4.46Å; Y154-F317 HydrophobicContact CG-CB 4.3Å; Y154-F317 AromaticContact CG-CD2 3.7Å; Y154-F317 HydrophobicContact CG-CD2 3.7Å; Y154-F317 HydrophobicContact CG-CE2 4.25Å; Y154-F317 AromaticContact CG-CG 3.99Å; Y154-F317 HydrophobicContact CG-CG 3.99Å; L164-F317 HydrophobicContact CD1-CD1 3.61Å; L164-F317 HydrophobicContact CD1-CE1 3.98Å; L164-F317 HydrophobicContact CD1-CG 4.41Å; C313-F317 PolarHBondContact O-N 2.83Å; D314-F317 PolarHBondContact O-N 2.98Å; F317-E320 PolarHBondContact O-N 2.84Å; F317-N321 WeakPolarHBondContact CD2-ND2 3.49Å; F317-N321 WeakPolarHBondContact CE2-ND2 3.3Å; F317-N321 WeakPolarHBondContact CZ-ND2 3.42Å; F317-N321 PolarHBondContact O-N 3.33Å; F317-N321 VanDerWaalsContact O-N 3.13Å; F317-N321 PolarHBondContact O-ND2 2.99Å
318	L	94.2	Very high	92.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-36.6	177.1	-66.1	170.5	0	0	0	112.4	L164 D314 I315 Q316 N322 L323 Y326 I516 I519	L164-L318 HydrophobicContact CD2-CD1 3.87Å; L164-L318 HydrophobicContact CD2-CD2 3.91Å; L164-L318 HydrophobicContact CD2-CG 3.96Å; D314-L318 VanDerWaalsContact O-CG 3.27Å; D314-L318 WeakPolarHBondContact O-CG 3.31Å; D314-L318 PolarHBondContact O-N 2.92Å; I315-L318 PolarHBondContact O-N 3.2Å; Q316-L318 VanDerWaalsContact C-N 3.3Å; Q316-L318 PolarHBondContact O-N 3.16Å; L318-N322 PolarHBondContact O-N 2.69Å; L318-L323 HydrophobicContact CB-CB 4.41Å; L318-L323 HydrophobicContact CD2-CB 4.13Å; L318-L323 HydrophobicContact CD2-CD1 3.68Å; L318-L323 PolarHBondContact O-N 3.36Å; L318-Y326 HydrophobicContact CB-CD1 4.44Å; L318-Y326 HydrophobicContact CB-CE1 3.77Å; L318-Y326 HydrophobicContact CD1-CD1 3.83Å; L318-Y326 HydrophobicContact CD1-CD2 4.04Å; L318-Y326 HydrophobicContact CD1-CE1 3.69Å; L318-Y326 HydrophobicContact CD1-CE2 3.92Å; L318-Y326 HydrophobicContact CD1-CG 3.99Å; L318-Y326 HydrophobicContact CG-CE1 4.24Å; L318-I516 HydrophobicContact CD1-CD1 4.1Å; L318-I516 HydrophobicContact CD1-CG2 4.06Å; L318-I519 HydrophobicContact CD1-CG2 4.29Å; L318-I519 HydrophobicContact CD2-CB 3.76Å; L318-I519 HydrophobicContact CD2-CD1 4.27Å; L318-I519 HydrophobicContact CD2-CG2 3.78Å
319	Q	92	Very high	92.8	Very high	43 Å²	43	33.8 Å²	33.8	20%	0.201	18%	0.178	C	C	.	.	H	α-helix	trans	-66.4	-47.7	175.7	-71.2	174.6	27.9	0	0	111.8	I315 Q316 N321 N322	I315-Q319 HydrophobicContact CG2-CG 4.45Å; I315-Q319 VanDerWaalsContact O-CG 3.26Å; I315-Q319 WeakPolarHBondContact O-CG 3.36Å; I315-Q319 PolarHBondContact O-N 3.3Å; Q316-Q319 WeakPolarHBondContact O-CB 3.48Å; Q316-Q319 PolarHBondContact O-N 3.4Å; Q316-Q319 VanDerWaalsContact O-N 3.09Å; Q319-N321 VanDerWaalsContact C-N 3.28Å; Q319-N321 PolarHBondContact O-N 3.26Å; Q319-N322 WeakPolarHBondContact O-CA 3.49Å; Q319-N322 PolarHBondContact O-N 3.07Å
320	E	91.7	Very high	92.6	Very high	120 Å²	120	31.4 Å²	31.4	56%	0.561	16%	0.161	S	C	*	.	H	α-helix	trans	-57.5	-41.6	177.5	-70.9	173.7	-174	0	0	111.4	Q316 F317 N322	Q316-E320 HydrophobicContact CG-CG 4.47Å; Q316-E320 WeakPolarHBondContact CG-OE1 3.12Å; Q316-E320 PolarHBondContact NE2-OE1 2.95Å; Q316-E320 WeakPolarHBondContact O-CG 3.37Å; Q316-E320 PolarHBondContact O-N 2.87Å; F317-E320 PolarHBondContact O-N 2.84Å; E320-N322 PolarHBondContact O-N 3.19Å; E320-N322 PolarHBondContact O-ND2 2.91Å; E320-N322 VanDerWaalsContact O-ND2 3.09Å
321	N	91	Very high	92.4	Very high	23 Å²	23	30.2 Å²	30.2	12%	0.123	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	2.7	176.1	-73.7	-88.1	0	0	0	114.4	F317 Q319 L323	F317-N321 WeakPolarHBondContact CD2-ND2 3.49Å; F317-N321 WeakPolarHBondContact CE2-ND2 3.3Å; F317-N321 WeakPolarHBondContact CZ-ND2 3.42Å; F317-N321 PolarHBondContact O-N 3.33Å; F317-N321 VanDerWaalsContact O-N 3.13Å; F317-N321 PolarHBondContact O-ND2 2.99Å; Q319-N321 VanDerWaalsContact C-N 3.28Å; Q319-N321 PolarHBondContact O-N 3.26Å; N321-L323 VanDerWaalsContact C-N 3.27Å; N321-L323 HydrophobicContact CB-CD1 3.72Å; N321-L323 HydrophobicContact CB-CG 3.79Å; N321-L323 PolarHBondContact O-N 3.04Å
322	N	90.5	Very high	92.3	Very high	68 Å²	68	30.4 Å²	30.4	36%	0.364	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	35.5	-178.7	-67.6	-107.9	0	0	0	113.5	L318 Q319 E320 Y523 P547	L318-N322 PolarHBondContact O-N 2.69Å; Q319-N322 WeakPolarHBondContact O-CA 3.49Å; Q319-N322 PolarHBondContact O-N 3.07Å; E320-N322 PolarHBondContact O-N 3.19Å; E320-N322 PolarHBondContact O-ND2 2.91Å; E320-N322 VanDerWaalsContact O-ND2 3.09Å; N322-Y523 WeakPolarHBondContact O-CB 3.43Å; N322-Y523 PolarHBondContact O-N 3.43Å; N322-P547 HydrophobicContact CB-CG 4.47Å
323	L	91	Very high	92.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.133	C	C	.	.	B	Isolated β-bridge	trans	-92.9	141.2	-179.8	-56.6	172.3	0	0	0	110.1	Q143 M147 L318 N321 Y326 I519 R522	Q143-L323 HydrophobicContact CG-CD2 4.23Å; M147-L323 HydrophobicContact SD-CD1 3.76Å; M147-L323 HydrophobicContact SD-CD2 4.49Å; L318-L323 HydrophobicContact CB-CB 4.41Å; L318-L323 HydrophobicContact CD2-CB 4.13Å; L318-L323 HydrophobicContact CD2-CD1 3.68Å; L318-L323 PolarHBondContact O-N 3.36Å; N321-L323 VanDerWaalsContact C-N 3.27Å; N321-L323 HydrophobicContact CB-CD1 3.72Å; N321-L323 HydrophobicContact CB-CG 3.79Å; N321-L323 PolarHBondContact O-N 3.04Å; L323-Y326 WeakPolarHBondContact O-CE1 3.12Å; L323-I519 WeakPolarHBondContact CD1-O 3.25Å; L323-I519 WeakPolarHBondContact CD2-O 3.29Å; L323-R522 HydrophobicContact CD2-CB 4.18Å
324	I	88.2	Confident	91.8	Very high	3 Å²	3	24 Å²	24	2%	0.015	12%	0.119	C	C	.	.			trans	-147.9	-177.6	176.8	62.5	156.6	0	0	0	111.7	Y326 T521 Y523 K527 P547 Y550	I324-Y326 PolarHBondContact O-N 3.14Å; I324-T521 PolarHBondContact N-O 3.5Å; I324-T521 WeakPolarHBondContact O-CB 3.37Å; I324-T521 VanDerWaalsContact O-O 3.12Å; I324-Y523 HydrophobicContact CD1-CD2 3.63Å; I324-Y523 HydrophobicContact CD1-CE2 4.24Å; I324-Y523 HydrophobicContact CG1-CD2 4.24Å; I324-K527 HydrophobicContact CD1-CD 3.64Å; I324-K527 HydrophobicContact CG1-CD 4.11Å; I324-P547 HydrophobicContact CG2-CB 3.84Å; I324-P547 HydrophobicContact CG2-CG 3.86Å; I324-Y550 HydrophobicContact CB-CD1 4.15Å; I324-Y550 HydrophobicContact CB-CG 4.24Å; I324-Y550 HydrophobicContact CG2-CD1 4.27Å; I324-Y550 HydrophobicContact CG2-CG 4.2Å
325	D	84.8	Confident	91.4	Very high	64 Å²	64	25.7 Å²	25.7	34%	0.342	13%	0.13	S	C	.	.	S	Bend	trans	62	9.4	-175.2	-67.6	25.7	0	0	0	115.4	K202 K527 Y550	K202-D325 VanDerWaalsContact CE-O 3.23Å; K202-D325 WeakPolarHBondContact CE-O 3.4Å; K202-D325 PolarHBondContact NZ-O 3.23Å; D325-K527 IonicContact OD1-NZ 3.75Å; D325-K527 PolarHBondContact OD1-NZ 3.33Å; D325-K527 IonicContact OD2-NZ 2.74Å; D325-K527 PolarHBondContact OD2-NZ 2.86Å; D325-Y550 WeakPolarHBondContact CA-OH 3.34Å
326	Y	91.6	Very high	90.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-65.7	147.8	169.6	50.4	-99.7	0	0	0	111.7	L318 L323 I324 I516 I517 Y550 G551 L554	L318-Y326 HydrophobicContact CB-CD1 4.44Å; L318-Y326 HydrophobicContact CB-CE1 3.77Å; L318-Y326 HydrophobicContact CD1-CD1 3.83Å; L318-Y326 HydrophobicContact CD1-CD2 4.04Å; L318-Y326 HydrophobicContact CD1-CE1 3.69Å; L318-Y326 HydrophobicContact CD1-CE2 3.92Å; L318-Y326 HydrophobicContact CD1-CG 3.99Å; L318-Y326 HydrophobicContact CG-CE1 4.24Å; L323-Y326 WeakPolarHBondContact O-CE1 3.12Å; I324-Y326 PolarHBondContact O-N 3.14Å; Y326-I516 HydrophobicContact CD2-CG2 4.01Å; Y326-I516 HydrophobicContact CG-CG2 4.2Å; Y326-I517 WeakPolarHBondContact CA-O 3.44Å; Y326-I517 VanDerWaalsContact CB-O 3.26Å; Y326-I517 WeakPolarHBondContact CB-O 3.37Å; Y326-Y550 HydrophobicContact CD1-CD1 4.35Å; Y326-Y550 HydrophobicContact CD1-CE1 4.04Å; Y326-Y550 HydrophobicContact CD2-CD1 4.47Å; Y326-Y550 AromaticContact CD2-CE1 3.84Å; Y326-Y550 HydrophobicContact CD2-CE1 3.84Å; Y326-Y550 AromaticContact CE1-CD1 3.8Å; Y326-Y550 HydrophobicContact CE1-CD1 3.8Å; Y326-Y550 AromaticContact CE1-CE1 3.93Å; Y326-Y550 HydrophobicContact CE1-CE1 3.93Å; Y326-Y550 AromaticContact CE2-CD1 3.93Å; Y326-Y550 HydrophobicContact CE2-CD1 3.93Å; Y326-Y550 AromaticContact CE2-CE1 3.72Å; Y326-Y550 HydrophobicContact CE2-CE1 3.72Å; Y326-Y550 HydrophobicContact CG-CE1 4.01Å; Y326-Y550 AromaticContact CZ-CD1 3.57Å; Y326-Y550 AromaticContact CZ-CE1 3.79Å; Y326-Y550 PolarHBondContact O-OH 3.21Å; Y326-G551 VanDerWaalsContact OH-CA 3.23Å; Y326-G551 WeakPolarHBondContact OH-CA 3.36Å; Y326-L554 HydrophobicContact CD2-CD2 3.91Å; Y326-L554 HydrophobicContact CE2-CD2 3.69Å
327	S	90.3	Very high	90.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	161.3	171.5	-35.2	0	0	0	0	111.6	D200 L201 K202 I516 I517	D200-S327 WeakPolarHBondContact OD1-CB 3.47Å; D200-S327 PolarHBondContact OD1-OG 2.89Å; L201-S327 CarbonylContact O-C 3.43Å; L201-S327 VanDerWaalsContact O-CA 3.24Å; L201-S327 WeakPolarHBondContact O-CA 3.35Å; L201-S327 WeakPolarHBondContact O-CB 3.46Å; K202-S327 WeakPolarHBondContact CE-OG 3.12Å; K202-S327 WeakPolarHBondContact CG-OG 3.25Å; S327-I516 CarbonylContact O-C 3.5Å; S327-I516 VanDerWaalsContact O-CA 3.26Å; S327-I516 WeakPolarHBondContact O-CA 3.32Å; S327-I516 WeakPolarHBondContact O-CG2 3.11Å; S327-I517 PolarHBondContact N-O 3.4Å; S327-I517 VanDerWaalsContact N-O 3.07Å; S327-I517 PolarHBondContact O-N 3.41Å
328	L	92.3	Very high	90.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	119	148.6	-160.7	73.9	0	0	0	109.1	L201 L311 I330 V514 I516 L554 V558	L201-L328 HydrophobicContact CB-CB 4.38Å; L201-L328 WeakPolarHBondContact CB-O 3.06Å; L201-L328 PolarHBondContact N-O 3.47Å; L201-L328 PolarHBondContact O-N 2.88Å; L311-L328 HydrophobicContact CD1-CD1 4.26Å; L328-I330 HydrophobicContact CD2-CD1 4.16Å; L328-I330 HydrophobicContact CD2-CG1 4.27Å; L328-I330 HydrophobicContact CG-CG1 4.39Å; L328-V514 HydrophobicContact CD1-CG1 3.76Å; L328-V514 HydrophobicContact CD2-CG1 3.78Å; L328-V514 HydrophobicContact CG-CG1 3.87Å; L328-I516 HydrophobicContact CD1-CG1 3.95Å; L328-L554 HydrophobicContact CB-CD1 4.27Å; L328-V558 HydrophobicContact CD2-CG1 4.29Å; L328-V558 HydrophobicContact CD2-CG2 3.55Å
329	L	93	Very high	89.6	Confident	19 Å²	19	34.7 Å²	34.7	10%	0.099	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	126.3	170.5	-179.4	64	0	0	0	108.7	V188 F189 K198 Y199 V514 A515 I517	V188-L329 HydrophobicContact CB-CD2 4.19Å; V188-L329 HydrophobicContact CG1-CD2 4.15Å; V188-L329 HydrophobicContact CG2-CD2 4.26Å; F189-L329 HydrophobicContact CE1-CD2 3.91Å; F189-L329 HydrophobicContact CE1-CG 3.95Å; F189-L329 HydrophobicContact CZ-CD1 3.98Å; F189-L329 HydrophobicContact CZ-CD2 3.72Å; F189-L329 HydrophobicContact CZ-CG 3.73Å; K198-L329 HydrophobicContact CD-CD1 4.2Å; K198-L329 HydrophobicContact CG-CD1 3.97Å; Y199-L329 WeakPolarHBondContact O-CA 3.47Å; L329-V514 WeakPolarHBondContact O-CA 3.39Å; L329-A515 PolarHBondContact N-O 3.18Å; L329-A515 PolarHBondContact O-N 2.9Å; L329-A515 VanDerWaalsContact O-N 3.08Å; L329-I517 HydrophobicContact CB-CD1 3.99Å; L329-I517 HydrophobicContact CB-CG1 4.1Å; L329-I517 HydrophobicContact CB-CG2 3.84Å; L329-I517 HydrophobicContact CD1-CD1 4.49Å; L329-I517 HydrophobicContact CD2-CG2 4.02Å
330	I	92.1	Very high	89.2	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.021	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	117.7	174.4	-53.7	-170.9	0	0	0	109.6	K198 Y199 L201 F290 M297 L328 V332 F513 V514	K198-I330 CarbonylContact C-O 3.57Å; K198-I330 WeakPolarHBondContact CA-O 3.15Å; Y199-I330 PolarHBondContact N-O 3.12Å; Y199-I330 PolarHBondContact O-N 3.34Å; L201-I330 HydrophobicContact CD1-CD1 3.51Å; L201-I330 HydrophobicContact CD1-CG1 4.01Å; F290-I330 HydrophobicContact CE2-CD1 4.13Å; M297-I330 HydrophobicContact CE-CD1 4.12Å; M297-I330 HydrophobicContact CE-CG2 4Å; M297-I330 HydrophobicContact SD-CD1 3.71Å; L328-I330 HydrophobicContact CD2-CD1 4.16Å; L328-I330 HydrophobicContact CD2-CG1 4.27Å; L328-I330 HydrophobicContact CG-CG1 4.39Å; I330-V332 HydrophobicContact CG2-CG2 4.39Å; I330-F513 CarbonylContact C-O 3.55Å; I330-F513 VanDerWaalsContact CA-O 3.28Å; I330-F513 WeakPolarHBondContact CA-O 3.43Å; I330-V514 HydrophobicContact CG1-CG2 4.44Å; I330-V514 HydrophobicContact CG2-CG2 4.47Å
331	G	92.1	Very high	88.7	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	143.1	164.9	0	0	0	0	0	110.5	Y512 F513	G331-Y512 CarbonylContact O-C 3.53Å; G331-Y512 WeakPolarHBondContact O-CA 3.33Å; G331-F513 PolarHBondContact N-O 3.05Å; G331-F513 PolarHBondContact O-N 3.19Å
332	V	91.7	Very high	87.9	Confident	6 Å²	6	34.6 Å²	34.6	4%	0.036	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	118.5	173.8	-171	0	0	0	0	109.3	H196 K197 Y199 L294 I330 L510 Y512	H196-V332 PolarHBondContact N-O 3.05Å; K197-V332 HydrophobicContact CB-CB 4.16Å; K197-V332 HydrophobicContact CB-CG2 4.31Å; K197-V332 PolarHBondContact N-O 3.48Å; K197-V332 PolarHBondContact O-N 3.18Å; Y199-V332 HydrophobicContact CE2-CG2 4.19Å; L294-V332 HydrophobicContact CD1-CG2 4.06Å; I330-V332 HydrophobicContact CG2-CG2 4.39Å; V332-L510 HydrophobicContact CG1-CB 4.44Å; V332-L510 HydrophobicContact CG1-CD1 4.16Å; V332-L510 HydrophobicContact CG1-CD2 4.2Å; V332-Y512 HydrophobicContact CG1-CD1 4.41Å; V332-Y512 HydrophobicContact CG1-CE1 4.43Å; V332-Y512 HydrophobicContact CG2-CD1 4.16Å
333	H	91.3	Very high	87.3	Confident	6 Å²	6	37 Å²	37	3%	0.028	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	142.2	164.5	171.1	79.1	0	0	0	109.5	L193 A194 I195 H196 I511 F513	L193-H333 HydrophobicContact CB-CB 4.4Å; A194-H333 WeakPolarHBondContact O-CB 3.31Å; A194-H333 PolarHBondContact O-ND1 2.84Å; I195-H333 HydrophobicContact CD1-CB 4.26Å; H196-H333 AromaticContact CE1-ND1 3.81Å; H333-I511 HydrophobicContact CB-CB 4.17Å; H333-I511 PolarHBondContact N-O 3.42Å; H333-I511 PolarHBondContact O-N 2.93Å; H333-F513 HydrophobicContact CB-CE2 4.19Å
334	D	90	Very high	86.5	Confident	29 Å²	29	44.5 Å²	44.5	16%	0.155	25%	0.249	C	C	.	.			trans	-127	105.4	-178.7	-176	-43.2	0	0	0	106.6	H196 E336 I337 A338 L510	H196-D334 PolarHBondContact CE1-O 3.08Å; H196-D334 VanDerWaalsContact ND1-CB 3.33Å; H196-D334 WeakPolarHBondContact ND1-CB 3.46Å; H196-D334 PolarHBondContact ND1-N 3.28Å; H196-D334 PolarHBondContact ND1-O 2.71Å; D334-E336 PolarHBondContact O-N 3.28Å; D334-E336 WeakPolarHBondContact OD1-CB 3.29Å; D334-E336 PolarHBondContact OD1-N 2.83Å; D334-I337 HydrophobicContact CB-CB 4.17Å; D334-I337 HydrophobicContact CB-CD1 3.98Å; D334-I337 HydrophobicContact CB-CG1 4.15Å; D334-I337 PolarHBondContact O-N 2.89Å; D334-I337 PolarHBondContact OD1-N 3.43Å; D334-I337 VanDerWaalsContact OD1-N 3.12Å; D334-I337 WeakPolarHBondContact OD2-CD1 3.36Å; D334-A338 WeakPolarHBondContact O-CB 3.34Å; D334-A338 PolarHBondContact O-N 3.37Å; D334-L510 HydrophobicContact CB-CD2 3.82Å
335	P	87.1	Confident	85.2	Confident	34 Å²	34	50.5 Å²	50.5	22%	0.221	28%	0.281	C	S	.	.	H	α-helix	trans	-62.1	-28.2	-176.7	-23.2	34.6	0	0	0	113.6	L339 P509	P335-L339 VanDerWaalsContact O-CB 3.31Å; P335-L339 WeakPolarHBondContact O-CB 3.48Å; P335-L339 PolarHBondContact O-N 3.29Å; P335-P509 WeakPolarHBondContact CD-O 3.05Å
336	E	85.5	Confident	84.1	Confident	112 Å²	112	51 Å²	51	52%	0.523	29%	0.293	S	S	.	.	H	α-helix	trans	-73.2	-45.8	-178.5	-60.4	-175.5	179.9	0	0	110.4	D334 A338 L339 A340	D334-E336 PolarHBondContact O-N 3.28Å; D334-E336 WeakPolarHBondContact OD1-CB 3.29Å; D334-E336 PolarHBondContact OD1-N 2.83Å; E336-A338 VanDerWaalsContact C-N 3.35Å; E336-A338 PolarHBondContact O-N 2.95Å; E336-L339 PolarHBondContact O-N 3.19Å; E336-A340 PolarHBondContact O-N 2.8Å
337	I	86.2	Confident	82.2	Confident	86 Å²	86	53.9 Å²	53.9	44%	0.441	32%	0.324	S	S	.	.	H	α-helix	trans	-62.7	-42.5	173.9	-62.4	176.4	0	0	0	110.8	D334 L339 A340 S341	D334-I337 HydrophobicContact CB-CB 4.17Å; D334-I337 HydrophobicContact CB-CD1 3.98Å; D334-I337 HydrophobicContact CB-CG1 4.15Å; D334-I337 PolarHBondContact O-N 2.89Å; D334-I337 PolarHBondContact OD1-N 3.43Å; D334-I337 VanDerWaalsContact OD1-N 3.12Å; D334-I337 WeakPolarHBondContact OD2-CD1 3.36Å; I337-L339 PolarHBondContact O-N 3.08Å; I337-A340 PolarHBondContact O-N 3.49Å; I337-S341 PolarHBondContact O-N 3.15Å; I337-S341 PolarHBondContact O-OG 3.14Å
338	A	84.7	Confident	80.4	Confident	17 Å²	17	61.3 Å²	61.3	14%	0.14	36%	0.363	C	S	.	.	H	α-helix	trans	-61.8	-43.2	177.4	0	0	0	0	0	112	D334 E336 S341 S342	D334-A338 WeakPolarHBondContact O-CB 3.34Å; D334-A338 PolarHBondContact O-N 3.37Å; E336-A338 VanDerWaalsContact C-N 3.35Å; E336-A338 PolarHBondContact O-N 2.95Å; A338-S341 PolarHBondContact O-N 3.24Å; A338-S341 PolarHBondContact O-OG 3.08Å; A338-S342 PolarHBondContact O-N 3.45Å; A338-S342 VanDerWaalsContact O-N 3.08Å; A338-S342 PolarHBondContact O-OG 3.12Å
339	L	84.3	Confident	78.5	Confident	93 Å²	93	69.1 Å²	69.1	49%	0.487	41%	0.405	S	S	.	.	H	α-helix	trans	-65.3	-42.4	177.9	-178.2	61	0	0	0	111.8	P335 E336 I337 S342 L343	P335-L339 VanDerWaalsContact O-CB 3.31Å; P335-L339 WeakPolarHBondContact O-CB 3.48Å; P335-L339 PolarHBondContact O-N 3.29Å; E336-L339 PolarHBondContact O-N 3.19Å; I337-L339 PolarHBondContact O-N 3.08Å; L339-S342 PolarHBondContact O-N 3.31Å; L339-L343 HydrophobicContact CG-CD1 4.44Å; L339-L343 WeakPolarHBondContact O-CG 3.39Å; L339-L343 PolarHBondContact O-N 2.93Å
340	A	84.5	Confident	76.1	Confident	48 Å²	48	71.5 Å²	71.5	40%	0.397	43%	0.434	S	S	.	.	H	α-helix	trans	-58.7	-50.3	175.4	0	0	0	0	0	111.6	E336 I337 S342 L343 E344	E336-A340 PolarHBondContact O-N 2.8Å; I337-A340 PolarHBondContact O-N 3.49Å; A340-S342 PolarHBondContact O-N 3.48Å; A340-L343 PolarHBondContact O-N 2.95Å; A340-E344 PolarHBondContact O-N 3.18Å
341	S	79.6	Confident	73.6	Confident	59 Å²	59	79.7 Å²	79.7	41%	0.413	47%	0.472	S	S	.	.	H	α-helix	trans	-61	-31.5	178	67.6	0	0	0	0	113.5	I337 A338 L343 D345	I337-S341 PolarHBondContact O-N 3.15Å; I337-S341 PolarHBondContact O-OG 3.14Å; A338-S341 PolarHBondContact O-N 3.24Å; A338-S341 PolarHBondContact O-OG 3.08Å; S341-L343 VanDerWaalsContact C-N 3.3Å; S341-L343 PolarHBondContact O-N 3.08Å; S341-D345 PolarHBondContact O-N 3.43Å
342	S	74.9	Confident	71	Confident	77 Å²	77	83.7 Å²	83.7	54%	0.538	51%	0.514	S	S	.	.	H	α-helix	trans	-73.6	-20.4	177.7	-55.2	0	0	0	0	113.4	A338 L339 A340	A338-S342 PolarHBondContact O-N 3.45Å; A338-S342 VanDerWaalsContact O-N 3.08Å; A338-S342 PolarHBondContact O-OG 3.12Å; L339-S342 PolarHBondContact O-N 3.31Å; A340-S342 PolarHBondContact O-N 3.48Å
343	L	77.5	Confident	68.7	Low	120 Å²	120	88.9 Å²	88.9	63%	0.628	55%	0.546	S	S	*	.	H	α-helix	trans	-86.7	-32.1	177.3	-70.2	166.2	0	0	0	111.9	L339 A340 S341	L339-L343 HydrophobicContact CG-CD1 4.44Å; L339-L343 WeakPolarHBondContact O-CG 3.39Å; L339-L343 PolarHBondContact O-N 2.93Å; A340-L343 PolarHBondContact O-N 2.95Å; S341-L343 VanDerWaalsContact C-N 3.3Å; S341-L343 PolarHBondContact O-N 3.08Å
344	E	73.7	Confident	66.1	Low	156 Å²	156	92.8 Å²	92.8	73%	0.729	59%	0.587	S	S	*	*	H	α-helix	trans	-69.2	-44.2	177	-67.5	179.1	173.8	0	0	111.9	A340 A346 G347	A340-E344 PolarHBondContact O-N 3.18Å; E344-A346 PolarHBondContact O-N 3.35Å; E344-A346 VanDerWaalsContact O-N 3.13Å; E344-G347 PolarHBondContact O-N 2.79Å; E344-G347 VanDerWaalsContact O-N 3.13Å
345	D	62.7	Low	63.6	Low	129 Å²	129	95 Å²	95	69%	0.69	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.7	-13.7	-179.3	-135.9	13.4	0	0	0	113.2	S341	S341-D345 PolarHBondContact O-N 3.43Å
346	A	60.5	Low	61.3	Low	74 Å²	74	98.4 Å²	98.4	61%	0.612	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	0.3	177.7	0	0	0	0	0	114	E344	E344-A346 PolarHBondContact O-N 3.35Å; E344-A346 VanDerWaalsContact O-N 3.13Å
347	G	52.8	Low	59	Low	62 Å²	62	98.8 Å²	98.8	64%	0.639	66%	0.663	S	S	*	*	S	Bend	trans	-96.5	-13.2	-169.9	0	0	0	0	0	117	E344 D349	E344-G347 PolarHBondContact O-N 2.79Å; E344-G347 VanDerWaalsContact O-N 3.13Å; G347-D349 PolarHBondContact O-N 2.61Å
348	D	51.3	Low	57	Low	155 Å²	155	101.3 Å²	101.3	83%	0.829	68%	0.682	S	S	*	*			trans	-89.9	9.2	-167.6	-158.5	37.1	0	0	0	114.6	G350	D348-G350 PolarHBondContact O-N 3.49Å
349	D	52.3	Low	54.7	Low	165 Å²	165	104 Å²	104	88%	0.882	71%	0.712	S	S	*	*	S	Bend	trans	-81.6	53.1	-175.5	-84.1	-20.4	0	0	0	114.4	G347	G347-D349 PolarHBondContact O-N 2.61Å
350	G	43	Very low	52.4	Low	69 Å²	69	103.6 Å²	103.6	71%	0.711	73%	0.73	S	S	*	*			trans	84.4	100.9	147.9	0	0	0	0	0	119.7	D348	D348-G350 PolarHBondContact O-N 3.49Å
351	E	40.2	Very low	50.1	Low	176 Å²	176	107.1 Å²	107.1	82%	0.822	75%	0.75	S	S	*	*			trans	-109.9	76.5	158.6	-164.1	171.8	-164.8	0	0	111.4	T353	E351-T353 HydrophobicContact CG-CG2 4.17Å; E351-T353 PolarHBondContact O-N 2.89Å; E351-T353 VanDerWaalsContact O-N 3.16Å
352	G	37.1	Very low	48.2	Very low	84 Å²	84	111.5 Å²	111.5	87%	0.866	77%	0.774	S	S	*	*			trans	-83.7	71.3	176.7	0	0	0	0	0	113.2	G354	G352-G354 PolarHBondContact O-N 3.1Å
353	T	44.1	Very low	46.5	Very low	116 Å²	116	111.6 Å²	111.6	71%	0.712	79%	0.787	S	S	*	*			trans	-85.1	109.9	177	43.3	0	0	0	0	112.1	E351	E351-T353 HydrophobicContact CG-CG2 4.17Å; E351-T353 PolarHBondContact O-N 2.89Å; E351-T353 VanDerWaalsContact O-N 3.16Å
354	G	35.1	Very low	44.9	Very low	87 Å²	87	111 Å²	111	90%	0.897	80%	0.8	S	S	*	*			trans	-77.8	123.8	174.5	0	0	0	0	0	112.3	G352	G352-G354 PolarHBondContact O-N 3.1Å
355	G	38.2	Very low	43.2	Very low	76 Å²	76	107 Å²	107	78%	0.784	80%	0.8	S	S	*	*			trans	-143.6	113.8	172.5	0	0	0	0	0	110.8
356	A	39.1	Very low	42.2	Very low	105 Å²	105	108.1 Å²	108.1	87%	0.868	81%	0.811	S	S	*	*			trans	-75.1	140.1	-174.1	0	0	0	0	0	112.8
357	S	37.1	Very low	41.2	Very low	120 Å²	120	108.4 Å²	108.4	84%	0.839	82%	0.821	S	S	*	*			trans	-90.6	147.6	175.1	-179	0	0	0	0	111.9
358	V	43.4	Very low	40.6	Very low	139 Å²	139	109.4 Å²	109.4	84%	0.842	83%	0.832	S	S	*	*			trans	-135.8	121.6	180	-172.7	0	0	0	0	110.9
359	G	37.4	Very low	40	Very low	75 Å²	75	106.3 Å²	106.3	77%	0.773	84%	0.837	S	S	*	*			trans	78.2	146.5	170.4	0	0	0	0	0	115.4
360	G	35.8	Very low	39.3	Very low	83 Å²	83	102.5 Å²	102.5	86%	0.856	84%	0.836	S	S	*	*			cis	-168.8	166.4	-0.6	0	0	0	0	0	110.3
361	C	37.1	Very low	39	Very low	122 Å²	122	103.4 Å²	103.4	82%	0.824	85%	0.846	S	S	*	*			trans	-115.7	152.9	-161.5	55.5	0	0	0	0	115.8
362	V	39.4	Very low	38.9	Very low	152 Å²	152	98.6 Å²	98.6	92%	0.921	84%	0.843	S	S	*	*			trans	-177.9	138.6	146.5	-89.5	0	0	0	0	105.8
363	G	39.4	Very low	39.1	Very low	78 Å²	78	99.8 Å²	99.8	80%	0.804	84%	0.838	S	S	*	*			cis	110	136.7	33.5	0	0	0	0	0	108.6
364	A	42.5	Very low	38.9	Very low	108 Å²	108	102.3 Å²	102.3	89%	0.893	85%	0.847	S	S	*	*			cis	-167.8	170	-7.3	0	0	0	0	0	110.4
365	G	38.1	Very low	38.9	Very low	71 Å²	71	104 Å²	104	73%	0.732	85%	0.846	S	S	*	*			trans	99.6	143.4	160.3	0	0	0	0	0	118.1
366	V	42.8	Very low	38.8	Very low	154 Å²	154	103.7 Å²	103.7	93%	0.933	84%	0.842	S	S	*	*			cis	161.5	133.7	-43.6	158.4	0	0	0	0	108.9
367	G	39.5	Very low	38.6	Very low	79 Å²	79	105.7 Å²	105.7	81%	0.814	84%	0.843	S	S	*	*			trans	124.1	137.2	163.6	0	0	0	0	0	115.4
368	G	40.8	Very low	38.2	Very low	84 Å²	84	107.7 Å²	107.7	87%	0.866	84%	0.844	S	S	*	*			cis	162.1	130.7	-11	0	0	0	0	0	114.5
369	G	38.4	Very low	37.6	Very low	90 Å²	90	110 Å²	110	93%	0.928	85%	0.845	S	S	*	*			trans	79.6	152.7	165.1	0	0	0	0	0	118.1
370	G	36	Very low	37.4	Very low	84 Å²	84	112 Å²	112	87%	0.866	84%	0.844	S	S	*	*			cis	166.5	149.5	-8.8	0	0	0	0	0	114.5
371	G	37.1	Very low	37.1	Very low	89 Å²	89	115.8 Å²	115.8	92%	0.918	85%	0.845	S	S	*	*			trans	87.6	145	174.2	0	0	0	0	0	115.8
372	G	38.3	Very low	36.8	Very low	75 Å²	75	115.6 Å²	115.6	77%	0.773	85%	0.845	S	S	*	*			cis	137.3	140.1	3.2	0	0	0	0	0	110
373	S	41.8	Very low	36.2	Very low	109 Å²	109	120.1 Å²	120.1	76%	0.762	85%	0.846	S	S	*	*			cis	-157	162.1	0.7	-64.2	0	0	0	0	108.9
374	N	39.7	Very low	35.6	Very low	168 Å²	168	119.7 Å²	119.7	90%	0.898	84%	0.841	S	S	*	*				-176.7	155.8	88.3	-96.3	-16.2	0	0	0	111.7
375	S	35.4	Very low	34.8	Very low	124 Å²	124	124.7 Å²	124.7	87%	0.867	84%	0.843	S	S	*	*			trans	-101.4	154.3	-176.3	-174.7	0	0	0	0	113.2
376	G	35.3	Very low	34.2	Very low	68 Å²	68	128.3 Å²	128.3	70%	0.701	85%	0.846	S	S	*	*			trans	-169.6	68	-176	0	0	0	0	0	116.9
377	V	34.6	Very low	33.4	Very low	147 Å²	147	127.3 Å²	127.3	89%	0.891	84%	0.835	S	S	*	*			trans	72.7	147.1	159.6	-169.3	0	0	0	0	117.3
378	L	30.4	Very low	32.8	Very low	163 Å²	163	134.8 Å²	134.8	85%	0.853	84%	0.839	S	S	*	*			trans	-112.1	145.8	-165.4	-65	148.4	0	0	0	111.7
379	E	31	Very low	32.1	Very low	187 Å²	187	138.9 Å²	138.9	87%	0.874	84%	0.837	S	S	*	*			trans	-161.2	152.3	135.2	-88.2	-115.4	100.4	0	0	108.1
380	P	32.6	Very low	31.6	Very low	116 Å²	116	138.6 Å²	138.6	75%	0.753	82%	0.818	S	S	*	*			trans	-85.1	121.9	-157.1	31.1	-34.8	0	0	0	114.6	S382	P380-S382 PolarHBondContact O-N 3.1Å
381	N	28.4	Very low	31.1	Very low	164 Å²	164	137.7 Å²	137.7	88%	0.877	80%	0.798	S	S	*	*			trans	-70.6	114.8	172.5	-118.5	-8.1	0	0	0	111.5
382	S	31.1	Very low	30.6	Very low	118 Å²	118	134.4 Å²	134.4	83%	0.825	76%	0.762	S	S	*	*			trans	-74.1	133.3	169.1	45.1	0	0	0	0	110.9	P380	P380-S382 PolarHBondContact O-N 3.1Å
383	R	27.2	Very low	30.1	Very low	246 Å²	246	132.4 Å²	132.4	93%	0.928	74%	0.742	S	S	*	*			trans	-83.3	144	-166.5	-62.1	168.3	173.6	161.1	-4.3	113.7
384	G	26.5	Very low	29.8	Very low	69 Å²	69	128.2 Å²	128.2	71%	0.711	71%	0.711	S	S	*	*			trans	76.6	130.4	146.8	0	0	0	0	0	115.9
385	F	26.1	Very low	29.5	Very low	214 Å²	214	121.2 Å²	121.2	94%	0.939	68%	0.679	S	S	*	*			cis	-153.8	134.4	45.1	-128.5	-99.5	0	0	0	110.6
386	D	24.7	Very low	29.5	Very low	146 Å²	146	116.7 Å²	116.7	78%	0.781	64%	0.644	S	S	*	*			trans	-78.7	160.9	175.4	-70	-66	0	0	0	113
387	D	25.9	Very low	29.3	Very low	134 Å²	134	114.8 Å²	114.8	72%	0.717	63%	0.625	S	S	*	*			trans	35.4	115.2	146.7	-104	-37.2	0	0	0	120.2
388	R	26.5	Very low	29.1	Very low	235 Å²	235	112 Å²	112	89%	0.887	61%	0.612	S	S	*	*				-173.9	144.3	101.9	-99.7	150.3	-176.5	172.7	1.2	115.1
389	M	26	Very low	29	Very low	170 Å²	170	109 Å²	109	84%	0.837	60%	0.596	S	S	*	*			trans	-72.5	128	175	-53	171.1	78.9	0	0	111.7
390	V	28.2	Very low	28.7	Very low	85 Å²	85	104 Å²	104	52%	0.515	58%	0.582	S	S	.	*			trans	-135.4	139.3	160.6	-173.1	0	0	0	0	109.3
391	S	27	Very low	28.4	Very low	65 Å²	65	103.9 Å²	103.9	46%	0.455	58%	0.584	S	S	.	*			trans	-151.7	130.1	-172.1	-170.3	0	0	0	0	112.2	R116 K280	R116-S391 CarbonylContact O-C 3.59Å; R116-S391 WeakPolarHBondContact O-CA 3.34Å; R116-S391 PolarHBondContact O-OG 2.89Å; K280-S391 WeakPolarHBondContact CE-O 3.39Å; K280-S391 PolarHBondContact NZ-O 3.18Å; K280-S391 VanDerWaalsContact NZ-O 3.17Å
392	A	26.8	Very low	28.4	Very low	19 Å²	19	103.7 Å²	103.7	16%	0.157	58%	0.578	C	S	.	*	S	Bend	trans	89.6	79.4	148.9	0	0	0	0	0	120.8	T115 R116 K118 E277 K280	T115-A392 VanDerWaalsContact C-N 3.31Å; T115-A392 CarbonylContact O-C 3.51Å; T115-A392 WeakPolarHBondContact O-CA 3.44Å; T115-A392 PolarHBondContact O-N 2.85Å; R116-A392 VanDerWaalsContact C-N 3.31Å; R116-A392 WeakPolarHBondContact O-CA 3.24Å; R116-A392 VanDerWaalsContact O-CB 3.24Å; R116-A392 WeakPolarHBondContact O-CB 3.33Å; R116-A392 PolarHBondContact O-N 2.8Å; K118-A392 HydrophobicContact CG-CB 4.38Å; E277-A392 VanDerWaalsContact CD-O 3.32Å; K280-A392 PolarHBondContact NZ-O 3.4Å; K280-A392 VanDerWaalsContact NZ-O 3.12Å
393	G	27.6	Very low	28.3	Very low	34 Å²	34	110.4 Å²	110.4	35%	0.351	59%	0.585	S	S	.	*	S	Bend	trans	150.3	-7.3	147.2	0	0	0	0	0	120.8	T115 K198 T284	T115-G393 PolarHBondContact O-N 2.84Å; K198-G393 WeakPolarHBondContact CE-O 3.35Å; K198-G393 PolarHBondContact NZ-O 2.98Å; T284-G393 WeakPolarHBondContact OG1-CA 3.43Å; T284-G393 PolarHBondContact OG1-O 3.03Å
394	D	34.6	Very low	28.3	Very low	20 Å²	20	108 Å²	108	11%	0.107	59%	0.585	C	S	.	*			trans	-119.1	48.7	-155.7	-27.5	-74.9	0	0	0	114.2	T115 K198 E277 K280 T284 L396	T115-D394 HydrophobicContact CG2-CB 3.59Å; T115-D394 VanDerWaalsContact CG2-OD2 3.3Å; T115-D394 WeakPolarHBondContact CG2-OD2 3.33Å; T115-D394 WeakPolarHBondContact OG1-CA 3.35Å; T115-D394 PolarHBondContact OG1-N 2.85Å; K198-D394 IonicContact NZ-OD1 3.46Å; K198-D394 PolarHBondContact NZ-OD1 3.35Å; E277-D394 VanDerWaalsContact OE1-OD1 3.13Å; K280-D394 WeakPolarHBondContact CD-OD2 3.19Å; K280-D394 VanDerWaalsContact CE-OD2 3.31Å; K280-D394 WeakPolarHBondContact CE-OD2 3.41Å; K280-D394 IonicContact NZ-OD1 3.63Å; K280-D394 IonicContact NZ-OD2 2.64Å; K280-D394 PolarHBondContact NZ-OD2 2.74Å; T284-D394 PolarHBondContact N-OD1 3.08Å; T284-D394 PolarHBondContact OG1-OD1 3.34Å; D394-L396 PolarHBondContact O-N 3.22Å
395	G	33.1	Very low	28.2	Very low	22 Å²	22	110.9 Å²	110.9	23%	0.227	59%	0.593	C	S	.	*	S	Bend	trans	-66.3	4.9	-178.1	0	0	0	0	0	117.2	D113 V125	D113-G395 WeakPolarHBondContact OD1-CA 3.37Å; D113-G395 WeakPolarHBondContact OD2-CA 3.23Å; D113-G395 PolarHBondContact OD2-N 2.96Å; V125-G395 WeakPolarHBondContact CG2-O 3.37Å
396	L	35.7	Very low	28.4	Very low	28 Å²	28	104.4 Å²	104.4	15%	0.147	59%	0.586	C	S	.	*	S	Bend	trans	-150.7	87.1	-170	-60.4	173.2	0	0	0	111.5	V132 N187 F189 L282 D394	V132-L396 HydrophobicContact CG2-CD2 4.3Å; N187-L396 WeakPolarHBondContact ND2-CD2 3.14Å; N187-L396 WeakPolarHBondContact OD1-CD1 3.29Å; N187-L396 WeakPolarHBondContact OD1-CD2 3.44Å; F189-L396 HydrophobicContact CB-CB 4.35Å; F189-L396 HydrophobicContact CB-CD1 4.02Å; F189-L396 HydrophobicContact CD1-CD1 4.31Å; F189-L396 HydrophobicContact CD2-CB 3.25Å; F189-L396 HydrophobicContact CD2-CD1 3.41Å; F189-L396 VanDerWaalsContact CD2-CD1 3.41Å; F189-L396 HydrophobicContact CD2-CG 3.95Å; F189-L396 HydrophobicContact CE2-CB 3.79Å; F189-L396 HydrophobicContact CE2-CD1 3.81Å; F189-L396 HydrophobicContact CE2-CG 4.44Å; F189-L396 HydrophobicContact CG-CB 4.13Å; F189-L396 HydrophobicContact CG-CD1 3.65Å; F189-L396 HydrophobicContact CZ-CD1 4.4Å; L282-L396 WeakPolarHBondContact CD2-O 3.47Å; D394-L396 PolarHBondContact O-N 3.22Å
397	G	30.9	Very low	28.4	Very low	28 Å²	28	108.9 Å²	108.9	29%	0.289	59%	0.592	S	S	.	*	S	Bend	trans	129.4	53.8	166.1	0	0	0	0	0	117.9	L282	L282-G397 WeakPolarHBondContact CD2-O 3.31Å
398	S	30	Very low	28.6	Very low	90 Å²	90	110.7 Å²	110.7	63%	0.629	60%	0.601	S	S	*	*			trans	-165.5	110.6	137.4	-170	0	0	0	0	110.6
399	L	28.5	Very low	28.7	Very low	98 Å²	98	104.9 Å²	104.9	51%	0.513	60%	0.596	S	S	.	*			trans	-160.7	66.3	168.5	-103.5	171.9	0	0	0	105.5	L111 R129	L111-L399 HydrophobicContact CD1-CD1 3.71Å; R129-L399 VanDerWaalsContact NH2-CB 3.32Å; R129-L399 PolarHBondContact NH2-O 2.98Å
400	S	25.9	Very low	28.8	Very low	83 Å²	83	105.8 Å²	105.8	58%	0.58	60%	0.6	S	S	*	*			trans	-99.8	167	148.2	-165.5	0	0	0	0	107.1
401	S	26.3	Very low	28.8	Very low	114 Å²	114	106.5 Å²	106.5	80%	0.797	62%	0.615	S	S	*	*	S	Bend	trans	72.1	55.9	-174.6	-42.3	0	0	0	0	116.3
402	Q	27.7	Very low	28.8	Very low	159 Å²	159	115.1 Å²	115.1	74%	0.743	64%	0.638	S	S	*	*			trans	-152.6	38.7	154	-144.4	-176.5	7.1	0	0	117.4
403	W	28.1	Very low	29	Very low	259 Å²	259	120 Å²	120	98%	0.981	67%	0.671	S	S	*	*			trans	-138.6	127.1	164.8	-62.5	102.9	0	0	0	110.7
404	Q	28.2	Very low	28.9	Very low	196 Å²	196	123.9 Å²	123.9	92%	0.916	69%	0.693	S	S	*	*			trans	-117.3	139.7	177.7	-102.1	-173.7	-5.9	0	0	111.2
405	C	25	Very low	28.8	Very low	130 Å²	130	131 Å²	131	88%	0.878	73%	0.729	S	S	*	*			trans	72.9	87.3	152.9	-161.5	0	0	0	0	118.6
406	G	29.6	Very low	28.7	Very low	77 Å²	77	136.2 Å²	136.2	79%	0.794	76%	0.756	S	S	*	*			trans	-143.6	71.3	160.2	0	0	0	0	0	111.8	L408	G406-L408 PolarHBondContact O-N 2.91Å
407	R	25.1	Very low	28.3	Very low	241 Å²	241	143.2 Å²	143.2	91%	0.909	79%	0.793	S	S	*	*			trans	-56.7	127.4	179.5	-87.3	-175.5	177.4	-172.7	-1.1	112.2
408	L	29.9	Very low	28.1	Very low	172 Å²	172	145.6 Å²	145.6	90%	0.901	82%	0.817	S	S	*	*			trans	-158.4	146.1	142.6	-102	172	0	0	0	110.1	G406	G406-L408 PolarHBondContact O-N 2.91Å
409	S	28.9	Very low	27.9	Very low	113 Å²	113	150 Å²	150	79%	0.79	83%	0.833	S	S	*	*			trans	-83	137.4	-163.6	54.2	0	0	0	0	115.3
410	M	27.4	Very low	28.1	Very low	189 Å²	189	151.2 Å²	151.2	93%	0.931	85%	0.849	S	S	*	*			trans	-71.5	138.7	169.1	-82.1	-164.3	-94.9	0	0	113.2
411	A	29.1	Very low	28.1	Very low	100 Å²	100	153 Å²	153	83%	0.826	86%	0.862	S	S	*	*			trans	-104.5	131.7	158	0	0	0	0	0	109.2
412	R	26.6	Very low	28.5	Very low	245 Å²	245	153.4 Å²	153.4	93%	0.925	87%	0.865	S	S	*	*			trans	-80.1	135.7	-173.3	-60.6	164.3	76.1	176.7	6.2	110.6
413	S	30.5	Very low	28.5	Very low	122 Å²	122	150 Å²	150	85%	0.853	86%	0.864	S	S	*	*			trans	-146.5	120.9	160.7	-81.3	0	0	0	0	111.2
414	S	26.9	Very low	28.5	Very low	116 Å²	116	142 Å²	142	81%	0.811	85%	0.853	S	S	*	*			trans	-79.2	132.7	176.3	49.9	0	0	0	0	111.3
415	I	32	Very low	28.7	Very low	168 Å²	168	139.6 Å²	139.6	86%	0.862	85%	0.851	S	S	*	*			trans	-128.4	139.3	163	-71.4	-173.8	0	0	0	110.1
416	V	30.2	Very low	28.8	Very low	133 Å²	133	142.5 Å²	142.5	81%	0.806	85%	0.852	S	S	*	*			trans	-88	143.8	-170.1	174.2	0	0	0	0	110.5	G418	V416-G418 PolarHBondContact O-N 3.11Å
417	L	27	Very low	28.9	Very low	175 Å²	175	143.8 Å²	143.8	92%	0.916	86%	0.855	S	S	*	*			trans	-68.4	126.4	173	-71.4	168.6	0	0	0	111.1
418	G	27.2	Very low	29.2	Very low	78 Å²	78	137.2 Å²	137.2	80%	0.804	85%	0.853	S	S	*	*			trans	-122.3	120.4	172.1	0	0	0	0	0	111	V416	V416-G418 PolarHBondContact O-N 3.11Å
419	L	26.8	Very low	29.4	Very low	182 Å²	182	134.8 Å²	134.8	95%	0.953	85%	0.85	S	S	*	*			trans	-87.1	131.6	176.4	-69.5	161.3	0	0	0	110.7
420	S	31.2	Very low	29.4	Very low	123 Å²	123	135.5 Å²	135.5	86%	0.86	85%	0.854	S	S	*	*			trans	-160.4	122.4	155.1	58.9	0	0	0	0	112.6
421	S	27	Very low	29.7	Very low	121 Å²	121	130.4 Å²	130.4	85%	0.846	85%	0.849	S	S	*	*			trans	-82.4	147.4	171.5	163	0	0	0	0	111.6
422	S	33.4	Very low	29.9	Very low	123 Å²	123	132.9 Å²	132.9	86%	0.86	85%	0.853	S	S	*	*			trans	-163.9	166.9	138.4	-149.1	0	0	0	0	112.7
423	A	28.2	Very low	30.1	Very low	86 Å²	86	124.7 Å²	124.7	71%	0.711	85%	0.846	S	S	*	*			trans	-125.4	170.1	-158.3	0	0	0	0	0	115.6
424	A	29.5	Very low	30.2	Very low	91 Å²	91	122.4 Å²	122.4	75%	0.752	84%	0.841	S	S	*	*			trans	62.1	138.9	152.8	0	0	0	0	0	120.2
425	V	30.9	Very low	30.4	Very low	146 Å²	146	124.4 Å²	124.4	89%	0.885	85%	0.848	S	S	*	*				-175.7	157.4	91.6	-83.1	0	0	0	0	112.4
426	E	27.5	Very low	30.4	Very low	191 Å²	191	120 Å²	120	89%	0.893	84%	0.844	S	S	*	*			trans	-77.6	164.5	173.3	-60.3	-175.6	102.1	0	0	114
427	A	32.2	Very low	30.4	Very low	104 Å²	104	121 Å²	121	86%	0.86	85%	0.851	S	S	*	*			trans	-165.1	147.5	130.5	0	0	0	0	0	112.3
428	A	30.2	Very low	30.5	Very low	104 Å²	104	115.7 Å²	115.7	86%	0.86	84%	0.838	S	S	*	*			trans	-104	166.3	-179.8	0	0	0	0	0	113.4
429	S	34.9	Very low	30.6	Very low	120 Å²	120	122.6 Å²	122.6	84%	0.839	85%	0.846	S	S	*	*			trans	-164.1	146.6	152.3	-169.1	0	0	0	0	113.2
430	C	28	Very low	30.8	Very low	129 Å²	129	117.1 Å²	117.1	87%	0.872	83%	0.833	S	S	*	*			trans	-89.6	164.8	-178	-64.2	0	0	0	0	113.8
431	G	33.9	Very low	30.8	Very low	81 Å²	81	118.4 Å²	118.4	84%	0.835	84%	0.836	S	S	*	*			trans	-163.4	116	169.9	0	0	0	0	0	113.9
432	V	34.5	Very low	31.1	Very low	152 Å²	152	116.1 Å²	116.1	92%	0.921	83%	0.831	S	S	*	*			trans	-93.4	150.7	-167.8	173.4	0	0	0	0	113.7
433	G	30.1	Very low	31.1	Very low	74 Å²	74	117.8 Å²	117.8	76%	0.763	83%	0.831	S	S	*	*			trans	137.4	137.4	136.2	0	0	0	0	0	121.1
434	G	32.4	Very low	31.6	Very low	73 Å²	73	117.7 Å²	117.7	75%	0.753	83%	0.83	S	S	*	*			trans	95.5	95	160.6	0	0	0	0	0	116.2
435	V	30.7	Very low	31.9	Very low	158 Å²	158	118.1 Å²	118.1	96%	0.958	83%	0.827	S	S	*	*				74.5	118	60.9	-176.1	0	0	0	0	114.6
436	G	32.3	Very low	32.2	Very low	76 Å²	76	117.9 Å²	117.9	78%	0.784	83%	0.827	S	S	*	*			trans	164.4	96.6	168.4	0	0	0	0	0	116.8
437	V	31	Very low	32.6	Very low	155 Å²	155	112 Å²	112	94%	0.939	82%	0.817	S	S	*	*			trans	-73.5	169.6	166.5	-72.2	0	0	0	0	111.9
438	G	29.4	Very low	32.8	Very low	63 Å²	63	114.2 Å²	114.2	65%	0.649	81%	0.814	S	S	*	*			cis	157.8	133.4	-4.9	0	0	0	0	0	112.9
439	F	28.8	Very low	33.4	Very low	223 Å²	223	116.1 Å²	116.1	98%	0.978	81%	0.81	S	S	*	*			trans	55.3	133.4	157.6	-66.1	-80.7	0	0	0	125.6
440	G	31.2	Very low	33.7	Very low	66 Å²	66	117.4 Å²	117.4	68%	0.68	81%	0.808	S	S	*	*			trans	98.6	149.6	139.1	0	0	0	0	0	118.5
441	T	30.9	Very low	34.4	Very low	151 Å²	151	119 Å²	119	93%	0.926	81%	0.808	S	S	*	*			cis	-172.7	144.8	-18.3	0.6	0	0	0	0	110
442	G	32.4	Very low	34.7	Very low	72 Å²	72	124.7 Å²	124.7	74%	0.742	81%	0.813	S	S	*	*			trans	77.7	162.6	161.6	0	0	0	0	0	117.6
443	N	34.8	Very low	35	Very low	159 Å²	159	126 Å²	126	85%	0.85	81%	0.808	S	S	*	*			cis	-165.8	151.7	-5.7	-151.1	39.7	0	0	0	111.5
444	A	37.2	Very low	35.8	Very low	83 Å²	83	130 Å²	130	69%	0.686	81%	0.807	S	S	*	*			trans	63.5	153.3	155.7	0	0	0	0	0	118.9
445	S	36.7	Very low	36	Very low	100 Å²	100	134.5 Å²	134.5	70%	0.699	81%	0.814	S	S	*	*			cis	-167.3	147.2	5.1	25.8	0	0	0	0	114.2
446	T	36.3	Very low	36.3	Very low	142 Å²	142	128.6 Å²	128.6	87%	0.871	79%	0.786	S	S	*	*			trans	63.4	137.7	140.1	57.4	0	0	0	0	124.3
447	G	36.8	Very low	36.5	Very low	68 Å²	68	132.9 Å²	132.9	70%	0.701	79%	0.789	S	S	*	*			trans	98.8	133.7	158	0	0	0	0	0	114.7
448	D	36.8	Very low	36.7	Very low	149 Å²	149	130.7 Å²	130.7	80%	0.797	78%	0.78	S	S	*	*			cis	177.8	156.7	-25.9	-104.3	-26.4	0	0	0	103.7
449	D	42.9	Very low	37.1	Very low	144 Å²	144	133.7 Å²	133.7	77%	0.77	78%	0.78	S	S	*	*			trans	67.6	109.3	164.8	-53.6	-26.5	0	0	0	121.2
450	D	39.7	Very low	37.4	Very low	147 Å²	147	128.5 Å²	128.5	79%	0.786	77%	0.769	S	S	*	*			trans	47.3	104.1	135	-58	-26.7	0	0	0	122.2
451	D	43.8	Very low	37.6	Very low	164 Å²	164	133.9 Å²	133.9	88%	0.877	78%	0.776	S	S	*	*				-174.9	155.3	115.6	-103.3	-35.6	0	0	0	112	E453	D451-E453 PolarHBondContact O-N 3.42Å
452	E	39.9	Very low	37.8	Very low	200 Å²	200	134.2 Å²	134.2	94%	0.935	77%	0.772	S	S	*	*			trans	-77.5	101.9	-174.2	-63.9	-173.9	162.3	0	0	114.1
453	E	42	Very low	37.8	Very low	178 Å²	178	137.7 Å²	137.7	83%	0.832	77%	0.774	S	S	*	*			trans	-119.9	129.9	166.9	-66	-146.5	149.1	0	0	114.2	D451 D455	D451-E453 PolarHBondContact O-N 3.42Å; E453-D455 PolarHBondContact O-N 3.49Å
454	E	46.1	Very low	37.7	Very low	158 Å²	158	135.8 Å²	135.8	74%	0.738	77%	0.768	S	S	*	*			trans	-72.7	100	172.1	-79.7	-166.2	138.3	0	0	110.8	G456	E454-G456 VanDerWaalsContact C-N 3.31Å; E454-G456 PolarHBondContact O-N 3.16Å
455	D	35.6	Very low	37.2	Very low	169 Å²	169	140.2 Å²	140.2	90%	0.904	77%	0.774	S	S	*	*			trans	-64.1	82.4	172.2	-95.4	-38	0	0	0	113.1	E453	E453-D455 PolarHBondContact O-N 3.49Å
456	G	38.5	Very low	37.1	Very low	34 Å²	34	141.7 Å²	141.7	35%	0.351	78%	0.779	S	S	.	*			trans	-100	107	169.3	0	0	0	0	0	111.5	E454 S458	E454-G456 VanDerWaalsContact C-N 3.31Å; E454-G456 PolarHBondContact O-N 3.16Å; G456-S458 PolarHBondContact O-N 2.81Å
457	I	36.5	Very low	36.9	Very low	166 Å²	166	140.8 Å²	140.8	85%	0.851	78%	0.776	S	S	*	*			trans	-52.8	110.8	-179.9	-64.2	168.2	0	0	0	111.1
458	S	33.5	Very low	36.5	Very low	108 Å²	108	143 Å²	143	76%	0.755	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-96.3	128.9	174.6	51.5	0	0	0	0	110.5	G456	G456-S458 PolarHBondContact O-N 2.81Å
459	I	39.6	Very low	36.3	Very low	127 Å²	127	141 Å²	141	65%	0.651	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-88.8	126.8	176.9	-57.2	178.8	0	0	0	108.3	V44	V44-I459 HydrophobicContact CG2-CD1 3.97Å
460	P	35	Very low	35.7	Very low	114 Å²	114	143 Å²	143	74%	0.74	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-76	138.1	-177.6	29.6	-34.4	0	0	0	112.5
461	E	34.9	Very low	35.5	Very low	179 Å²	179	143.6 Å²	143.6	84%	0.836	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-72.6	131.3	170.1	-62.6	-176.8	149.6	0	0	110.1
462	N	35.5	Very low	35.1	Very low	157 Å²	157	141.7 Å²	141.7	84%	0.84	78%	0.775	S	S	*	*			trans	-123	131.6	169.7	-158.7	6.4	0	0	0	110.5
463	N	30.9	Very low	35.1	Very low	145 Å²	145	138 Å²	138	78%	0.775	77%	0.768	S	S	*	*			trans	-111.8	97	-156	-169.1	15.8	0	0	0	111.3
464	T	32.6	Very low	35.3	Very low	120 Å²	120	135.2 Å²	135.2	74%	0.736	77%	0.766	S	S	*	*			trans	-111.7	118.2	-178.9	-54.4	0	0	0	0	111.5
465	Q	28.4	Very low	35.1	Very low	175 Å²	175	135.3 Å²	135.3	82%	0.818	77%	0.771	S	S	*	*			trans	-78.9	141.9	178.7	-65.2	173.2	-3.2	0	0	111.8
466	V	34.7	Very low	36	Very low	132 Å²	132	132.6 Å²	132.6	80%	0.8	77%	0.766	S	S	*	*			trans	-131	138.3	165.9	-110.6	0	0	0	0	109.4
467	P	31	Very low	36.3	Very low	123 Å²	123	136.4 Å²	136.4	80%	0.799	78%	0.784	S	S	*	*			trans	-87.2	137.2	-165.9	32.1	-32.4	0	0	0	113.3
468	T	27.7	Very low	36.6	Very low	114 Å²	114	134.3 Å²	134.3	70%	0.699	78%	0.781	S	S	*	*			trans	-96.7	125.1	177.1	54.2	0	0	0	0	112
469	S	33.5	Very low	36.6	Very low	107 Å²	107	132.4 Å²	132.4	75%	0.748	78%	0.779	S	S	*	*			trans	-136.1	127.6	168.2	-64.1	0	0	0	0	109.2
470	E	31.1	Very low	36.5	Very low	185 Å²	185	131.4 Å²	131.4	86%	0.864	79%	0.79	S	S	*	*			trans	63.8	144.1	179	-55.2	177.5	136.5	0	0	112.6
471	L	35.5	Very low	36.4	Very low	161 Å²	161	133.3 Å²	133.3	84%	0.843	79%	0.788	S	S	*	*			cis	-141.4	170	33.6	-70.3	155.4	0	0	0	111.4
472	T	34.8	Very low	36.6	Very low	124 Å²	124	130.7 Å²	130.7	76%	0.761	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-61.6	155.3	172.3	24.7	0	0	0	0	112.9	P474	T472-P474 WeakPolarHBondContact O-CD 3.3Å
473	P	40.4	Very low	36.7	Very low	122 Å²	122	128.7 Å²	128.7	79%	0.792	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-64.4	125.6	177.7	-15	29.1	0	0	0	110.3
474	P	46.2	Very low	37	Very low	120 Å²	120	127.5 Å²	127.5	78%	0.779	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-69.5	153.6	167.1	30.6	-33.7	0	0	0	110	T472	T472-P474 WeakPolarHBondContact O-CD 3.3Å
475	D	40.4	Very low	37.3	Very low	159 Å²	159	128.3 Å²	128.3	85%	0.85	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-54.4	146.7	173.7	-84.4	-54.6	0	0	0	111.6	P477	D475-P477 WeakPolarHBondContact O-CD 3.22Å
476	S	54.8	Low	38.1	Very low	113 Å²	113	127 Å²	127	79%	0.79	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-65.6	119.8	179.3	-63.9	0	0	0	0	108.9
477	P	46	Very low	39.1	Very low	113 Å²	113	123.9 Å²	123.9	73%	0.734	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-61.3	139.5	176.3	25.8	-33	0	0	0	108.8	D475	D475-P477 WeakPolarHBondContact O-CD 3.22Å
478	P	41.7	Very low	40.2	Very low	122 Å²	122	123 Å²	123	79%	0.792	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-57.2	144.5	175.3	25.8	-33.5	0	0	0	109	A480	P478-A480 PolarHBondContact O-N 2.94Å; P478-A480 VanDerWaalsContact O-N 3.07Å
479	G	33.5	Very low	42	Very low	68 Å²	68	119.3 Å²	119.3	70%	0.701	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-52.2	119.3	-173.5	0	0	0	0	0	110.9	E481	G479-E481 PolarHBondContact O-N 3.35Å
480	A	37.3	Very low	44.2	Very low	107 Å²	107	121.4 Å²	121.4	88%	0.884	73%	0.726	S	S	*	*			trans	-69.9	79	164.8	0	0	0	0	0	107.5	P478 C482	P478-A480 PolarHBondContact O-N 2.94Å; P478-A480 VanDerWaalsContact O-N 3.07Å; A480-C482 PolarHBondContact O-N 3.45Å
481	E	34.7	Very low	46.8	Very low	153 Å²	153	114.2 Å²	114.2	72%	0.715	69%	0.693	S	S	*	*			trans	-56	126.7	167.7	-63.5	-167.6	155	0	0	107.3	G479 L483	G479-E481 PolarHBondContact O-N 3.35Å; E481-L483 HydrophobicContact CB-CD2 4.33Å; E481-L483 HydrophobicContact CB-CG 4.46Å; E481-L483 PolarHBondContact O-N 3.49Å
482	C	38.3	Very low	49.2	Very low	124 Å²	124	110.6 Å²	110.6	84%	0.838	67%	0.672	S	S	*	*			trans	-73.2	76.6	166.1	-169.3	0	0	0	0	106.5	A480	A480-C482 PolarHBondContact O-N 3.45Å
483	L	36.9	Very low	51.4	Low	116 Å²	116	109.5 Å²	109.5	61%	0.607	67%	0.667	S	S	*	*			trans	-52	140.1	173.1	-69.3	177.4	0	0	0	108	E481 Q485	E481-L483 HydrophobicContact CB-CD2 4.33Å; E481-L483 HydrophobicContact CB-CG 4.46Å; E481-L483 PolarHBondContact O-N 3.49Å; L483-Q485 VanDerWaalsContact C-N 3.31Å; L483-Q485 PolarHBondContact O-N 3Å
484	P	38.2	Very low	53.4	Low	120 Å²	120	106.4 Å²	106.4	78%	0.779	65%	0.646	S	S	*	*			trans	-58.6	96.2	172.3	-21.6	33	0	0	0	109.3	L486	P484-L486 PolarHBondContact O-N 3.1Å
485	Q	38.8	Very low	55.3	Low	136 Å²	136	102.4 Å²	102.4	64%	0.636	62%	0.618	S	S	*	*			trans	-63.5	103.5	171.9	-84.5	-173.2	-20.9	0	0	107.2	R192 L483 F487	R192-Q485 PolarHBondContact NH2-O 2.8Å; L483-Q485 VanDerWaalsContact C-N 3.31Å; L483-Q485 PolarHBondContact O-N 3Å; Q485-F487 PolarHBondContact O-N 3.07Å
486	L	45.7	Very low	57.7	Low	147 Å²	147	95.2 Å²	95.2	77%	0.77	58%	0.579	S	S	*	*			trans	-36.9	128.9	171.2	-87.9	135.3	0	0	0	109.7	P484 S488	P484-L486 PolarHBondContact O-N 3.1Å; L486-S488 PolarHBondContact O-N 3.02Å
487	F	55	Low	59.4	Low	67 Å²	67	91.9 Å²	91.9	29%	0.294	55%	0.551	S	S	.	*			trans	-58.8	110.5	-170.6	175.6	-113.9	0	0	0	110.5	L193 Q485 G489 E490 L491 I511	L193-F487 HydrophobicContact CD1-CD2 4.18Å; L193-F487 HydrophobicContact CD1-CE2 4.18Å; L193-F487 HydrophobicContact CD2-CB 4.29Å; L193-F487 HydrophobicContact CD2-CD2 3.92Å; L193-F487 HydrophobicContact CD2-CG 4.34Å; Q485-F487 PolarHBondContact O-N 3.07Å; F487-G489 VanDerWaalsContact CZ-C 3.45Å; F487-G489 WeakPolarHBondContact CZ-O 3.19Å; F487-G489 PolarHBondContact O-N 3.17Å; F487-E490 WeakPolarHBondContact CE2-O 3.44Å; F487-L491 HydrophobicContact CE2-CD2 4.12Å; F487-I511 HydrophobicContact CD1-CD1 4.5Å; F487-I511 HydrophobicContact CE1-CD1 3.75Å; F487-I511 HydrophobicContact CE2-CD1 3.78Å; F487-I511 HydrophobicContact CZ-CD1 3.34Å
488	S	54.1	Low	61.7	Low	105 Å²	105	86.8 Å²	86.8	73%	0.734	52%	0.517	S	S	*	.			trans	-75.3	21.2	-173.9	-170.6	0	0	0	0	113.5	L486 E490	L486-S488 PolarHBondContact O-N 3.02Å; S488-E490 PolarHBondContact O-N 2.74Å
489	G	65.8	Low	64.1	Low	36 Å²	36	81.8 Å²	81.8	37%	0.371	49%	0.487	S	S	.	.	S	Bend	trans	73.5	-22	-172.7	0	0	0	0	0	114.9	F487 K501	F487-G489 VanDerWaalsContact CZ-C 3.45Å; F487-G489 WeakPolarHBondContact CZ-O 3.19Å; F487-G489 PolarHBondContact O-N 3.17Å; G489-K501 WeakPolarHBondContact O-CE 3.5Å; G489-K501 PolarHBondContact O-NZ 3.24Å
490	E	79.9	Confident	67	Low	151 Å²	151	79.8 Å²	79.8	71%	0.706	46%	0.46	S	S	*	.	S	Bend	trans	-105.4	145.4	-179.6	-67	-170.2	171.7	0	0	113.7	F487 S488	F487-E490 WeakPolarHBondContact CE2-O 3.44Å; S488-E490 PolarHBondContact O-N 2.74Å
491	L	84.7	Confident	69.6	Low	35 Å²	35	79 Å²	79	18%	0.183	44%	0.437	C	S	.	.			trans	-88.9	132.7	175.3	-69.4	172.7	0	0	0	109.3	L193 F487 P493 E496 K501 I511	L193-L491 HydrophobicContact CD1-CD2 3.96Å; F487-L491 HydrophobicContact CE2-CD2 4.12Å; L491-P493 WeakPolarHBondContact O-CD 3.46Å; L491-E496 VanDerWaalsContact CA-OE2 3.31Å; L491-E496 WeakPolarHBondContact CA-OE2 3.37Å; L491-E496 HydrophobicContact CB-CB 4.11Å; L491-E496 HydrophobicContact CD2-CB 3.97Å; L491-E496 HydrophobicContact CD2-CG 3.95Å; L491-K501 HydrophobicContact CD1-CG 3.87Å; L491-K501 HydrophobicContact CG-CG 4.33Å; L491-I511 HydrophobicContact CD1-CG2 4.35Å; L491-I511 HydrophobicContact CD2-CD1 4.18Å; L491-I511 HydrophobicContact CD2-CG2 3.93Å
492	H	85.3	Confident	72.3	Confident	84 Å²	84	72.6 Å²	72.6	39%	0.389	41%	0.409	S	S	.	.			trans	-77.5	114.9	179.6	-168.4	-84.7	0	0	0	110.2	T494 L495 E496	H492-T494 PolarHBondContact CE1-OG1 3.02Å; H492-T494 PolarHBondContact ND1-OG1 3.07Å; H492-T494 VanDerWaalsContact ND1-OG1 3.1Å; H492-T494 PolarHBondContact O-N 3.44Å; H492-L495 HydrophobicContact CB-CB 4.2Å; H492-L495 HydrophobicContact CB-CD1 4.37Å; H492-L495 HydrophobicContact CB-CG 4.48Å; H492-L495 PolarHBondContact O-N 2.94Å; H492-E496 PolarHBondContact N-OE2 3.49Å; H492-E496 PolarHBondContact O-N 3.15Å
493	P	81.7	Confident	74.7	Confident	102 Å²	102	68 Å²	68	66%	0.662	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-28	-163.8	21.8	-33.8	0	0	0	114.3	L491	L491-P493 WeakPolarHBondContact O-CD 3.46Å
494	T	83	Confident	76.9	Confident	57 Å²	57	70.9 Å²	70.9	35%	0.35	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-19.7	177.9	65.9	0	0	0	0	114.6	R186 H492	R186-T494 PolarHBondContact NH1-O 3.48Å; H492-T494 PolarHBondContact CE1-OG1 3.02Å; H492-T494 PolarHBondContact ND1-OG1 3.07Å; H492-T494 VanDerWaalsContact ND1-OG1 3.1Å; H492-T494 PolarHBondContact O-N 3.44Å
495	L	86.2	Confident	79	Confident	35 Å²	35	72 Å²	72	18%	0.183	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-29.9	-178.7	-62.3	176.1	0	0	0	111.7	Q130 P191 H492	Q130-L495 HydrophobicContact CG-CD2 4.08Å; P191-L495 HydrophobicContact CG-CB 4.29Å; P191-L495 HydrophobicContact CG-CD1 4.47Å; P191-L495 HydrophobicContact CG-CD2 4.26Å; H492-L495 HydrophobicContact CB-CB 4.2Å; H492-L495 HydrophobicContact CB-CD1 4.37Å; H492-L495 HydrophobicContact CB-CG 4.48Å; H492-L495 PolarHBondContact O-N 2.94Å
496	E	90.6	Very high	81.1	Confident	8 Å²	8	66.3 Å²	66.3	4%	0.037	37%	0.368	C	S	.	.	S	Bend	trans	-115.8	39.4	-179.8	-75.4	125.3	-155.1	0	0	111.1	S190 L491 H492 Y498 G499 F513	S190-E496 WeakPolarHBondContact CB-OE1 3.44Å; S190-E496 PolarHBondContact OG-OE1 3.25Å; L491-E496 VanDerWaalsContact CA-OE2 3.31Å; L491-E496 WeakPolarHBondContact CA-OE2 3.37Å; L491-E496 HydrophobicContact CB-CB 4.11Å; L491-E496 HydrophobicContact CD2-CB 3.97Å; L491-E496 HydrophobicContact CD2-CG 3.95Å; H492-E496 PolarHBondContact N-OE2 3.49Å; H492-E496 PolarHBondContact O-N 3.15Å; E496-Y498 PolarHBondContact O-N 2.89Å; E496-Y498 VanDerWaalsContact O-N 3.12Å; E496-G499 WeakPolarHBondContact O-CA 3.05Å; E496-G499 PolarHBondContact O-N 3Å; E496-F513 HydrophobicContact CB-CE1 4.12Å; E496-F513 HydrophobicContact CG-CE1 3.75Å; E496-F513 HydrophobicContact CG-CZ 3.99Å
497	H	90.4	Very high	82.6	Confident	43 Å²	43	64 Å²	64	20%	0.199	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-37.5	179.6	173.2	91.7	0	0	0	113.5	G160 T162 Q166	G160-H497 PolarHBondContact O-CE1 3.2Å; T162-H497 PolarHBondContact O-NE2 2.74Å; Q166-H497 PolarHBondContact NE2-CD2 3Å; Q166-H497 PolarHBondContact NE2-CE1 2.86Å; Q166-H497 PolarHBondContact NE2-ND1 2.98Å; Q166-H497 PolarHBondContact NE2-NE2 2.81Å
498	Y	93.6	Very high	83.9	Confident	6 Å²	6	65.9 Å²	65.9	2%	0.024	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	2.9	179.1	-59.3	-74.7	0	0	0	113.8	L164 Q166 V188 E496 F513 V514 A515	L164-Y498 PolarHBondContact O-OH 3.17Å; Q166-Y498 PolarHBondContact N-OH 2.76Å; V188-Y498 HydrophobicContact CB-CD2 4.39Å; V188-Y498 HydrophobicContact CG1-CD2 4.35Å; V188-Y498 HydrophobicContact CG1-CG 4.34Å; V188-Y498 HydrophobicContact CG2-CE2 4.42Å; E496-Y498 PolarHBondContact O-N 2.89Å; E496-Y498 VanDerWaalsContact O-N 3.12Å; Y498-F513 WeakPolarHBondContact O-CA 3.32Å; Y498-V514 WeakPolarHBondContact CD1-O 3.46Å; Y498-V514 PolarHBondContact O-N 3.14Å; Y498-A515 HydrophobicContact CD1-CB 3.53Å; Y498-A515 HydrophobicContact CE1-CB 3.65Å; Y498-A515 HydrophobicContact CG-CB 4.03Å
499	G	93.5	Very high	85.4	Confident	17 Å²	17	64.1 Å²	64.1	18%	0.175	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	131.8	-173.6	0	0	0	0	0	113.3	E496 Y512	E496-G499 WeakPolarHBondContact O-CA 3.05Å; E496-G499 PolarHBondContact O-N 3Å; G499-Y512 CarbonylContact C-O 3.58Å; G499-Y512 WeakPolarHBondContact CA-O 3.41Å
500	I	93.2	Very high	86.6	Confident	26 Å²	26	63.5 Å²	63.5	13%	0.133	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	124.4	178.8	-56.6	174	0	0	0	107.8	I299 M307 Y512	I299-I500 HydrophobicContact CD1-CG2 4.36Å; I299-I500 HydrophobicContact CG2-CG2 3.82Å; M307-I500 HydrophobicContact CB-CD1 4.09Å; M307-I500 HydrophobicContact CG-CD1 3.9Å; M307-I500 HydrophobicContact SD-CD1 3.37Å; M307-I500 WeakPolarHBondContact SD-CD1 3.47Å; I500-Y512 PolarHBondContact N-O 2.91Å; I500-Y512 PolarHBondContact O-N 3.21Å
501	K	92.2	Very high	87.2	Confident	91 Å²	91	56.6 Å²	56.6	40%	0.396	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	150.7	174.8	-57.7	177.5	-174.5	173.6	0	110.6	G489 L491	G489-K501 WeakPolarHBondContact O-CE 3.5Å; G489-K501 PolarHBondContact O-NZ 3.24Å; L491-K501 HydrophobicContact CD1-CG 3.87Å; L491-K501 HydrophobicContact CG-CG 4.33Å
502	S	90.9	Very high	87.6	Confident	19 Å²	19	55 Å²	55	13%	0.133	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-65.5	164.4	169.1	66	0	0	0	0	112.4	H298 S506 L510	H298-S502 CarbonylContact O-C 3.53Å; H298-S502 WeakPolarHBondContact O-CA 3.49Å; H298-S502 VanDerWaalsContact O-CB 3.24Å; H298-S502 WeakPolarHBondContact O-CB 3.41Å; S502-S506 VanDerWaalsContact CB-OG 3.31Å; S502-S506 WeakPolarHBondContact CB-OG 3.49Å; S502-S506 PolarHBondContact OG-OG 2.8Å; S502-L510 WeakPolarHBondContact CB-O 3.49Å; S502-L510 PolarHBondContact N-O 3.49Å; S502-L510 PolarHBondContact OG-N 2.81Å; S502-L510 PolarHBondContact OG-O 2.94Å
503	S	88.8	Confident	88.1	Confident	28 Å²	28	51 Å²	51	20%	0.196	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-61.1	152.1	172.1	-165.4	0	0	0	0	111.3	H298 D505 S506	H298-S503 PolarHBondContact O-N 3.09Å; S503-D505 PolarHBondContact O-N 2.66Å; S503-D505 PolarHBondContact OG-OD2 3.48Å; S503-S506 VanDerWaalsContact O-CB 3.24Å; S503-S506 WeakPolarHBondContact O-CB 3.47Å; S503-S506 PolarHBondContact O-N 3.1Å; S503-S506 PolarHBondContact O-OG 3.5Å
504	I	84.4	Confident	88.7	Confident	175 Å²	175	46.2 Å²	46.2	90%	0.897	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.9	173.3	-60.1	168.1	0	0	0	110.5	S506	I504-S506 PolarHBondContact O-N 2.98Å
505	D	82.3	Confident	89.3	Confident	145 Å²	145	43.5 Å²	43.5	78%	0.775	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-0.9	176.9	-42.8	-70.3	0	0	0	113.9	S503	S503-D505 PolarHBondContact O-N 2.66Å; S503-D505 PolarHBondContact OG-OD2 3.48Å
506	S	81.7	Confident	89.7	Confident	16 Å²	16	41.9 Å²	41.9	11%	0.112	23%	0.229	C	C	.	.			trans	-69.6	136.8	178.8	64	0	0	0	0	110.7	S502 S503 I504 H508	S502-S506 VanDerWaalsContact CB-OG 3.31Å; S502-S506 WeakPolarHBondContact CB-OG 3.49Å; S502-S506 PolarHBondContact OG-OG 2.8Å; S503-S506 VanDerWaalsContact O-CB 3.24Å; S503-S506 WeakPolarHBondContact O-CB 3.47Å; S503-S506 PolarHBondContact O-N 3.1Å; S503-S506 PolarHBondContact O-OG 3.5Å; I504-S506 PolarHBondContact O-N 2.98Å; S506-H508 PolarHBondContact O-N 2.93Å; S506-H508 VanDerWaalsContact O-N 3.17Å; S506-H508 PolarHBondContact OG-O 3.47Å
507	P	78	Confident	89.8	Confident	98 Å²	98	43.1 Å²	43.1	64%	0.636	24%	0.236	S	C	*	.	S	Bend	trans	-68.8	-16.3	-175.5	27.4	-35.7	0	0	0	113.6
508	H	81	Confident	89.7	Confident	107 Å²	107	43.7 Å²	43.7	50%	0.495	24%	0.24	S	C	.	.	S	Bend	trans	-138.6	124.5	173.9	-58.5	76.8	0	0	0	107.3	S506 L510	S506-H508 PolarHBondContact O-N 2.93Å; S506-H508 VanDerWaalsContact O-N 3.17Å; S506-H508 PolarHBondContact OG-O 3.47Å; H508-L510 PolarHBondContact O-N 3.32Å
509	P	86.9	Confident	89.6	Confident	67 Å²	67	43.5 Å²	43.5	44%	0.435	24%	0.24	S	C	.	.			trans	-70.7	117.5	179.4	28.5	-33.1	0	0	0	109.8	P335	P335-P509 WeakPolarHBondContact CD-O 3.05Å
510	L	91.1	Very high	89.5	Confident	24 Å²	24	43.3 Å²	43.3	13%	0.126	24%	0.235	C	C	.	.			trans	-124.5	156.9	-178	-66.6	178.4	0	0	0	111.1	V332 D334 S502 H508 Y512	V332-L510 HydrophobicContact CG1-CB 4.44Å; V332-L510 HydrophobicContact CG1-CD1 4.16Å; V332-L510 HydrophobicContact CG1-CD2 4.2Å; D334-L510 HydrophobicContact CB-CD2 3.82Å; S502-L510 WeakPolarHBondContact CB-O 3.49Å; S502-L510 PolarHBondContact N-O 3.49Å; S502-L510 PolarHBondContact OG-N 2.81Å; S502-L510 PolarHBondContact OG-O 2.94Å; H508-L510 PolarHBondContact O-N 3.32Å; L510-Y512 HydrophobicContact CB-CE1 4.27Å; L510-Y512 HydrophobicContact CB-CE2 4.36Å; L510-Y512 HydrophobicContact CD1-CE1 4.28Å
511	I	92.1	Very high	89.1	Confident	5 Å²	5	44.5 Å²	44.5	3%	0.026	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	117.2	174	-58.9	177.6	0	0	0	108.2	L193 H333 F487 L491 F513	L193-I511 HydrophobicContact CD1-CD1 3.93Å; L193-I511 HydrophobicContact CD1-CG2 4.47Å; H333-I511 HydrophobicContact CB-CB 4.17Å; H333-I511 PolarHBondContact N-O 3.42Å; H333-I511 PolarHBondContact O-N 2.93Å; F487-I511 HydrophobicContact CD1-CD1 4.5Å; F487-I511 HydrophobicContact CE1-CD1 3.75Å; F487-I511 HydrophobicContact CE2-CD1 3.78Å; F487-I511 HydrophobicContact CZ-CD1 3.34Å; L491-I511 HydrophobicContact CD1-CG2 4.35Å; L491-I511 HydrophobicContact CD2-CD1 4.18Å; L491-I511 HydrophobicContact CD2-CG2 3.93Å; I511-F513 HydrophobicContact CG2-CD2 4.49Å; I511-F513 HydrophobicContact CG2-CE2 3.86Å; I511-F513 HydrophobicContact CG2-CZ 4.09Å
512	Y	93.2	Very high	88.7	Confident	2 Å²	2	46 Å²	46	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	132.7	-179.7	-50.3	-78.1	0	0	0	109.7	M297 H298 I299 G331 V332 G499 I500 L510	M297-Y512 HydrophobicContact CB-CE1 4.2Å; M297-Y512 HydrophobicContact CE-CD1 3.51Å; M297-Y512 HydrophobicContact CE-CD2 4.22Å; M297-Y512 HydrophobicContact CE-CE1 4.19Å; M297-Y512 HydrophobicContact CE-CG 3.52Å; M297-Y512 HydrophobicContact CG-CD1 4.3Å; M297-Y512 HydrophobicContact CG-CE1 4.05Å; H298-Y512 PolarHBondContact N-OH 3.27Å; I299-Y512 HydrophobicContact CD1-CD2 4.33Å; I299-Y512 HydrophobicContact CG1-CD2 4.05Å; I299-Y512 HydrophobicContact CG1-CE2 3.99Å; G331-Y512 CarbonylContact O-C 3.53Å; G331-Y512 WeakPolarHBondContact O-CA 3.33Å; V332-Y512 HydrophobicContact CG1-CD1 4.41Å; V332-Y512 HydrophobicContact CG1-CE1 4.43Å; V332-Y512 HydrophobicContact CG2-CD1 4.16Å; G499-Y512 CarbonylContact C-O 3.58Å; G499-Y512 WeakPolarHBondContact CA-O 3.41Å; I500-Y512 PolarHBondContact N-O 2.91Å; I500-Y512 PolarHBondContact O-N 3.21Å; L510-Y512 HydrophobicContact CB-CE1 4.27Å; L510-Y512 HydrophobicContact CB-CE2 4.36Å; L510-Y512 HydrophobicContact CD1-CE1 4.28Å
513	F	94.5	Very high	88.1	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	115.6	169.9	-69	-88.7	0	0	0	108.8	V188 F189 L193 I195 I330 G331 H333 E496 Y498 I511	V188-F513 WeakPolarHBondContact O-CD1 3.45Å; F189-F513 HydrophobicContact CD1-CB 3.54Å; F189-F513 HydrophobicContact CD1-CG 4.11Å; F189-F513 HydrophobicContact CE1-CB 4.01Å; L193-F513 HydrophobicContact CB-CE2 4.48Å; L193-F513 HydrophobicContact CB-CZ 4.38Å; L193-F513 HydrophobicContact CD1-CZ 4.14Å; I195-F513 HydrophobicContact CD1-CD2 3.52Å; I195-F513 HydrophobicContact CD1-CE2 3.76Å; I195-F513 HydrophobicContact CD1-CG 4.47Å; I330-F513 CarbonylContact C-O 3.55Å; I330-F513 VanDerWaalsContact CA-O 3.28Å; I330-F513 WeakPolarHBondContact CA-O 3.43Å; G331-F513 PolarHBondContact N-O 3.05Å; G331-F513 PolarHBondContact O-N 3.19Å; H333-F513 HydrophobicContact CB-CE2 4.19Å; E496-F513 HydrophobicContact CB-CE1 4.12Å; E496-F513 HydrophobicContact CG-CE1 3.75Å; E496-F513 HydrophobicContact CG-CZ 3.99Å; Y498-F513 WeakPolarHBondContact O-CA 3.32Å; I511-F513 HydrophobicContact CG2-CD2 4.49Å; I511-F513 HydrophobicContact CG2-CE2 3.86Å; I511-F513 HydrophobicContact CG2-CZ 4.09Å
514	V	94.3	Very high	87.2	Confident	2 Å²	2	46.5 Å²	46.5	1%	0.012	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.7	-171	-177.5	0	0	0	0	110.1	M297 M307 L328 L329 I330 Y498	M297-V514 HydrophobicContact CE-CG2 3.95Å; M307-V514 HydrophobicContact SD-CB 4.3Å; M307-V514 HydrophobicContact SD-CG1 4.11Å; M307-V514 HydrophobicContact SD-CG2 4.18Å; L328-V514 HydrophobicContact CD1-CG1 3.76Å; L328-V514 HydrophobicContact CD2-CG1 3.78Å; L328-V514 HydrophobicContact CG-CG1 3.87Å; L329-V514 WeakPolarHBondContact O-CA 3.39Å; I330-V514 HydrophobicContact CG1-CG2 4.44Å; I330-V514 HydrophobicContact CG2-CG2 4.47Å; Y498-V514 WeakPolarHBondContact CD1-O 3.46Å; Y498-V514 PolarHBondContact O-N 3.14Å
515	A	95.7	Very high	85.9	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	154	175.4	0	0	0	0	0	112.5	L163 V188 L329 Y498	L163-A515 CarbonylContact O-C 3.53Å; L163-A515 WeakPolarHBondContact O-CA 3.43Å; V188-A515 HydrophobicContact CB-CB 4.22Å; V188-A515 HydrophobicContact CG1-CB 3.45Å; V188-A515 VanDerWaalsContact CG1-CB 3.45Å; V188-A515 HydrophobicContact CG2-CB 3.69Å; L329-A515 PolarHBondContact N-O 3.18Å; L329-A515 PolarHBondContact O-N 2.9Å; L329-A515 VanDerWaalsContact O-N 3.08Å; Y498-A515 HydrophobicContact CD1-CB 3.53Å; Y498-A515 HydrophobicContact CE1-CB 3.65Å; Y498-A515 HydrophobicContact CG-CB 4.03Å
516	I	94.8	Very high	85.1	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	136.3	170.6	-54.5	173.7	0	0	0	108.9	L163 L164 P165 L311 D314 L318 Y326 S327 L328 I519	L163-I516 HydrophobicContact CB-CG1 4.26Å; L163-I516 PolarHBondContact O-N 2.9Å; L164-I516 HydrophobicContact CD2-CB 4.37Å; L164-I516 HydrophobicContact CD2-CD1 3.98Å; L164-I516 HydrophobicContact CD2-CG2 4.48Å; P165-I516 VanDerWaalsContact CD-O 3.24Å; P165-I516 WeakPolarHBondContact CD-O 3.47Å; P165-I516 VanDerWaalsContact CG-O 3.3Å; P165-I516 WeakPolarHBondContact CG-O 3.25Å; L311-I516 HydrophobicContact CD1-CD1 3.89Å; L311-I516 HydrophobicContact CD1-CG1 4.22Å; D314-I516 HydrophobicContact CB-CD1 3.7Å; L318-I516 HydrophobicContact CD1-CD1 4.1Å; L318-I516 HydrophobicContact CD1-CG2 4.06Å; Y326-I516 HydrophobicContact CD2-CG2 4.01Å; Y326-I516 HydrophobicContact CG-CG2 4.2Å; S327-I516 CarbonylContact O-C 3.5Å; S327-I516 VanDerWaalsContact O-CA 3.26Å; S327-I516 WeakPolarHBondContact O-CA 3.32Å; S327-I516 WeakPolarHBondContact O-CG2 3.11Å; L328-I516 HydrophobicContact CD1-CG1 3.95Å; I516-I519 HydrophobicContact CG2-CG2 3.61Å
517	I	92.9	Very high	84.3	Confident	34 Å²	34	48.5 Å²	48.5	17%	0.174	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	163	180	60.4	162.2	0	0	0	112.6	Y326 S327 L329 I519	Y326-I517 WeakPolarHBondContact CA-O 3.44Å; Y326-I517 VanDerWaalsContact CB-O 3.26Å; Y326-I517 WeakPolarHBondContact CB-O 3.37Å; S327-I517 PolarHBondContact N-O 3.4Å; S327-I517 VanDerWaalsContact N-O 3.07Å; S327-I517 PolarHBondContact O-N 3.41Å; L329-I517 HydrophobicContact CB-CD1 3.99Å; L329-I517 HydrophobicContact CB-CG1 4.1Å; L329-I517 HydrophobicContact CB-CG2 3.84Å; L329-I517 HydrophobicContact CD1-CD1 4.49Å; L329-I517 HydrophobicContact CD2-CG2 4.02Å; I517-I519 PolarHBondContact O-N 3.25Å
518	D	88.4	Confident	83.5	Confident	55 Å²	55	49.7 Å²	49.7	29%	0.294	23%	0.234	S	C	.	.			trans	57.8	36.6	176.1	-82.4	-8	0	0	0	116.2	K134 L520	K134-D518 IonicContact NZ-OD1 2.89Å; K134-D518 PolarHBondContact NZ-OD1 3.28Å; D518-L520 PolarHBondContact O-N 2.85Å; D518-L520 VanDerWaalsContact O-N 3.12Å
519	I	92.9	Very high	82.6	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.01	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-5.1	-176.8	67.9	165.6	0	0	0	116.1	M147 L164 P165 F167 L318 L323 I516 I517 T521	M147-I519 HydrophobicContact CE-CD1 3.89Å; M147-I519 HydrophobicContact CE-CG1 4.31Å; L164-I519 HydrophobicContact CD2-CD1 4.29Å; L164-I519 HydrophobicContact CD2-CG2 4.23Å; P165-I519 HydrophobicContact CG-CD1 4.47Å; P165-I519 HydrophobicContact CG-CG1 4.4Å; F167-I519 HydrophobicContact CE2-CD1 3.94Å; F167-I519 HydrophobicContact CZ-CD1 3.9Å; F167-I519 HydrophobicContact CZ-CG1 4.03Å; L318-I519 HydrophobicContact CD1-CG2 4.29Å; L318-I519 HydrophobicContact CD2-CB 3.76Å; L318-I519 HydrophobicContact CD2-CD1 4.27Å; L318-I519 HydrophobicContact CD2-CG2 3.78Å; L323-I519 WeakPolarHBondContact CD1-O 3.25Å; L323-I519 WeakPolarHBondContact CD2-O 3.29Å; I516-I519 HydrophobicContact CG2-CG2 3.61Å; I517-I519 PolarHBondContact O-N 3.25Å; I519-T521 VanDerWaalsContact C-N 3.26Å; I519-T521 PolarHBondContact O-N 3.35Å
520	L	89.9	Confident	81.3	Confident	13 Å²	13	48.1 Å²	48.1	7%	0.068	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	9.6	-174.1	-62.1	178.3	0	0	0	114.9	I136 E140 Q143 M144 M147 L183 D518 R522	I136-L520 HydrophobicContact CD1-CD1 4.41Å; I136-L520 HydrophobicContact CG2-CD1 4.49Å; E140-L520 HydrophobicContact CB-CB 4.29Å; E140-L520 HydrophobicContact CB-CD1 3.93Å; E140-L520 HydrophobicContact CG-CB 3.92Å; E140-L520 HydrophobicContact CG-CD1 4.21Å; Q143-L520 WeakPolarHBondContact CG-O 3.25Å; M144-L520 HydrophobicContact CB-CD2 4.2Å; M144-L520 HydrophobicContact SD-CD2 3.97Å; M147-L520 HydrophobicContact CE-CD2 3.45Å; M147-L520 VanDerWaalsContact CE-CD2 3.45Å; M147-L520 HydrophobicContact SD-CD2 3.99Å; L183-L520 HydrophobicContact CD2-CD1 3.76Å; D518-L520 PolarHBondContact O-N 2.85Å; D518-L520 VanDerWaalsContact O-N 3.12Å; L520-R522 PolarHBondContact O-N 3.03Å
521	T	85.5	Confident	79.7	Confident	51 Å²	51	49.4 Å²	49.4	31%	0.313	24%	0.241	S	C	.	.			trans	-98.3	91.5	-177.2	-49.5	0	0	0	0	112.3	I324 I519	I324-T521 PolarHBondContact N-O 3.5Å; I324-T521 WeakPolarHBondContact O-CB 3.37Å; I324-T521 VanDerWaalsContact O-O 3.12Å; I519-T521 VanDerWaalsContact C-N 3.26Å; I519-T521 PolarHBondContact O-N 3.35Å
522	R	83	Confident	78.1	Confident	124 Å²	124	53.4 Å²	53.4	47%	0.468	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-68.7	149.1	177.9	-174.3	169.2	179.3	-144.5	2.8	114	Q143 L323 L520 G524	Q143-R522 HydrophobicContact CG-CB 4.3Å; L323-R522 HydrophobicContact CD2-CB 4.18Å; L520-R522 PolarHBondContact O-N 3.03Å; R522-G524 PolarHBondContact O-N 2.93Å
523	Y	78	Confident	76.5	Confident	27 Å²	27	60 Å²	60	11%	0.106	29%	0.291	C	S	.	.			trans	-73.2	65.6	173.3	-165.9	-115.7	0	0	0	112.7	N322 I324 K527 R528 Q531 P547	N322-Y523 WeakPolarHBondContact O-CB 3.43Å; N322-Y523 PolarHBondContact O-N 3.43Å; I324-Y523 HydrophobicContact CD1-CD2 3.63Å; I324-Y523 HydrophobicContact CD1-CE2 4.24Å; I324-Y523 HydrophobicContact CG1-CD2 4.24Å; Y523-K527 HydrophobicContact CD2-CB 3.87Å; Y523-K527 HydrophobicContact CD2-CD 4.35Å; Y523-K527 HydrophobicContact CE2-CB 3.83Å; Y523-R528 HydrophobicContact CD1-CG 4.28Å; Y523-R528 HydrophobicContact CE1-CG 3.62Å; Y523-Q531 PolarHBondContact OH-OE1 3.43Å; Y523-P547 HydrophobicContact CD1-CG 4.42Å; Y523-P547 HydrophobicContact CG-CG 4.23Å
524	G	69.7	Low	74.7	Confident	29 Å²	29	64.5 Å²	64.5	30%	0.299	31%	0.311	S	S	.	.			trans	-80.9	-178.9	-178.2	0	0	0	0	0	115.1	R522 R526 K527 R528	R522-G524 PolarHBondContact O-N 2.93Å; G524-R526 VanDerWaalsContact C-N 3.28Å; G524-R526 PolarHBondContact O-N 3.13Å; G524-K527 PolarHBondContact O-N 2.99Å; G524-R528 PolarHBondContact O-N 2.93Å
525	M	58.9	Low	73	Confident	144 Å²	144	67.1 Å²	67.1	71%	0.709	33%	0.327	S	S	*	.	H	α-helix	trans	-53.5	-41.2	176.1	-68.8	-178.3	-178.6	0	0	112.8	K527 R528 T529	M525-K527 PolarHBondContact O-N 3.33Å; M525-R528 PolarHBondContact O-N 3.31Å; M525-R528 VanDerWaalsContact O-N 3.1Å; M525-T529 PolarHBondContact O-N 2.55Å; M525-T529 PolarHBondContact O-OG1 2.85Å; M525-T529 VanDerWaalsContact O-OG1 3.13Å
526	R	63.9	Low	71.4	Confident	200 Å²	200	72.9 Å²	72.9	76%	0.755	36%	0.362	S	S	*	.	H	α-helix	trans	-51.5	-42.6	176.7	-63.7	-177.5	-174.1	166.4	3.7	111.8	E139 G524 A530	E139-R526 IonicContact OE1-NH1 2.61Å; E139-R526 IonicContact OE1-NH2 2.87Å; G524-R526 VanDerWaalsContact C-N 3.28Å; G524-R526 PolarHBondContact O-N 3.13Å; R526-A530 WeakPolarHBondContact O-CB 3.44Å; R526-A530 PolarHBondContact O-N 3.34Å; R526-A530 VanDerWaalsContact O-N 3.13Å
527	K	64.9	Low	69.7	Low	34 Å²	34	78.9 Å²	78.9	15%	0.148	39%	0.388	C	S	.	.	H	α-helix	trans	-79.7	-34.6	178.7	-66.1	-160.2	176.8	-177.7	0	113.3	I324 D325 Y523 G524 M525 A530 Q531 S544	I324-K527 HydrophobicContact CD1-CD 3.64Å; I324-K527 HydrophobicContact CG1-CD 4.11Å; D325-K527 IonicContact OD1-NZ 3.75Å; D325-K527 PolarHBondContact OD1-NZ 3.33Å; D325-K527 IonicContact OD2-NZ 2.74Å; D325-K527 PolarHBondContact OD2-NZ 2.86Å; Y523-K527 HydrophobicContact CD2-CB 3.87Å; Y523-K527 HydrophobicContact CD2-CD 4.35Å; Y523-K527 HydrophobicContact CE2-CB 3.83Å; G524-K527 PolarHBondContact O-N 2.99Å; M525-K527 PolarHBondContact O-N 3.33Å; K527-A530 CarbonylContact O-C 3.55Å; K527-A530 PolarHBondContact O-N 3.23Å; K527-Q531 PolarHBondContact O-N 2.9Å; K527-S544 PolarHBondContact O-OG 3.2Å
528	R	61.8	Low	67.8	Low	124 Å²	124	83 Å²	83	47%	0.468	41%	0.406	S	S	.	.	H	α-helix	trans	-61.6	-42.8	170.8	-68.9	-173.4	-74.3	-177.1	-2.4	112.1	Y523 G524 M525 Q531 T532	Y523-R528 HydrophobicContact CD1-CG 4.28Å; Y523-R528 HydrophobicContact CE1-CG 3.62Å; G524-R528 PolarHBondContact O-N 2.93Å; M525-R528 PolarHBondContact O-N 3.31Å; M525-R528 VanDerWaalsContact O-N 3.1Å; R528-Q531 WeakPolarHBondContact O-CA 3.23Å; R528-Q531 WeakPolarHBondContact O-CB 3.36Å; R528-Q531 PolarHBondContact O-N 2.85Å; R528-Q531 VanDerWaalsContact O-N 3.12Å; R528-T532 PolarHBondContact O-N 3.04Å; R528-T532 PolarHBondContact O-OG1 3.39Å
529	T	61.7	Low	65.9	Low	98 Å²	98	82.2 Å²	82.2	60%	0.601	41%	0.41	S	S	*	.	H	α-helix	trans	-64.9	-39.7	174.1	-53.8	0	0	0	0	111.6	M525 Q531 T532 Y533	M525-T529 PolarHBondContact O-N 2.55Å; M525-T529 PolarHBondContact O-OG1 2.85Å; M525-T529 VanDerWaalsContact O-OG1 3.13Å; T529-Q531 VanDerWaalsContact C-N 3.29Å; T529-Q531 PolarHBondContact O-N 3.49Å; T529-T532 PolarHBondContact O-N 2.96Å; T529-Y533 WeakPolarHBondContact O-CB 3.38Å; T529-Y533 PolarHBondContact O-N 3.46Å
530	A	60	Low	64	Low	43 Å²	43	85.9 Å²	85.9	36%	0.355	44%	0.441	S	S	.	.	H	α-helix	trans	-64.3	-32.3	171.7	0	0	0	0	0	112.8	R526 K527 K534	R526-A530 WeakPolarHBondContact O-CB 3.44Å; R526-A530 PolarHBondContact O-N 3.34Å; R526-A530 VanDerWaalsContact O-N 3.13Å; K527-A530 CarbonylContact O-C 3.55Å; K527-A530 PolarHBondContact O-N 3.23Å; A530-K534 WeakPolarHBondContact O-CB 3.34Å; A530-K534 VanDerWaalsContact O-CG 3.29Å; A530-K534 WeakPolarHBondContact O-CG 3.24Å; A530-K534 PolarHBondContact O-N 3.11Å
531	Q	56.8	Low	61.9	Low	51 Å²	51	91.9 Å²	91.9	24%	0.238	47%	0.473	C	S	.	.	H	α-helix	trans	-61.1	-59.7	170.7	-159.7	179.7	29.4	0	0	109.8	Y523 K527 R528 T529 Y533 K534 T535 S544	Y523-Q531 PolarHBondContact OH-OE1 3.43Å; K527-Q531 PolarHBondContact O-N 2.9Å; R528-Q531 WeakPolarHBondContact O-CA 3.23Å; R528-Q531 WeakPolarHBondContact O-CB 3.36Å; R528-Q531 PolarHBondContact O-N 2.85Å; R528-Q531 VanDerWaalsContact O-N 3.12Å; T529-Q531 VanDerWaalsContact C-N 3.29Å; T529-Q531 PolarHBondContact O-N 3.49Å; Q531-Y533 VanDerWaalsContact C-N 3.29Å; Q531-Y533 PolarHBondContact O-N 2.85Å; Q531-K534 PolarHBondContact O-N 3Å; Q531-T535 WeakPolarHBondContact O-CB 3.34Å; Q531-T535 PolarHBondContact O-N 3.47Å; Q531-T535 PolarHBondContact O-OG1 2.92Å; Q531-T535 VanDerWaalsContact O-OG1 3.1Å; Q531-S544 WeakPolarHBondContact CA-OG 3.26Å; Q531-S544 WeakPolarHBondContact CB-OG 3.38Å; Q531-S544 WeakPolarHBondContact CG-O 3.31Å; Q531-S544 WeakPolarHBondContact CG-OG 3.45Å; Q531-S544 PolarHBondContact N-OG 2.9Å; Q531-S544 PolarHBondContact NE2-O 2.98Å
532	T	59.8	Low	60	Low	89 Å²	89	90.7 Å²	90.7	55%	0.546	47%	0.472	S	S	.	.	H	α-helix	trans	-54.8	-45.8	-178.4	-51.3	0	0	0	0	111.3	R528 T529 K534 T535 V536	R528-T532 PolarHBondContact O-N 3.04Å; R528-T532 PolarHBondContact O-OG1 3.39Å; T529-T532 PolarHBondContact O-N 2.96Å; T532-K534 PolarHBondContact O-N 3Å; T532-T535 PolarHBondContact O-N 2.94Å; T532-V536 HydrophobicContact CG2-CG2 4.39Å; T532-V536 WeakPolarHBondContact O-CB 3.43Å; T532-V536 WeakPolarHBondContact O-CG2 3.38Å; T532-V536 PolarHBondContact O-N 3.16Å
533	Y	58.6	Low	58.2	Low	141 Å²	141	85.5 Å²	85.5	55%	0.553	46%	0.457	S	S	*	.	H	α-helix	trans	-61.9	-42.7	177.5	-174.4	-96.3	0	0	0	113	T529 Q531 K537	T529-Y533 WeakPolarHBondContact O-CB 3.38Å; T529-Y533 PolarHBondContact O-N 3.46Å; Q531-Y533 VanDerWaalsContact C-N 3.29Å; Q531-Y533 PolarHBondContact O-N 2.85Å; Y533-K537 HydrophobicContact CD1-CD 4.37Å; Y533-K537 HydrophobicContact CE1-CD 3.73Å; Y533-K537 HydrophobicContact CE2-CD 4.47Å; Y533-K537 WeakPolarHBondContact O-CB 3.28Å; Y533-K537 PolarHBondContact O-N 3.23Å; Y533-K537 VanDerWaalsContact O-N 3.11Å; Y533-K537 VanDerWaalsContact OH-CE 3.31Å; Y533-K537 WeakPolarHBondContact OH-CE 3.38Å; Y533-K537 PolarHBondContact OH-NZ 3.3Å
534	K	58.1	Low	57	Low	93 Å²	93	85.3 Å²	85.3	40%	0.404	46%	0.459	S	S	.	.	H	α-helix	trans	-68.5	-44	177.3	-77.1	179.7	175.7	-171.7	0	111.9	A530 Q531 T532 V536 K537 H538	A530-K534 WeakPolarHBondContact O-CB 3.34Å; A530-K534 VanDerWaalsContact O-CG 3.29Å; A530-K534 WeakPolarHBondContact O-CG 3.24Å; A530-K534 PolarHBondContact O-N 3.11Å; Q531-K534 PolarHBondContact O-N 3Å; T532-K534 PolarHBondContact O-N 3Å; K534-V536 PolarHBondContact O-N 2.98Å; K534-K537 PolarHBondContact O-N 2.96Å; K534-H538 PolarHBondContact O-N 3.18Å; K534-H538 PolarHBondContact O-ND1 2.8Å
535	T	58.4	Low	56.6	Low	58 Å²	58	85.1 Å²	85.1	36%	0.356	45%	0.452	S	S	.	.	H	α-helix	trans	-61.1	-42.2	176.9	-59.9	0	0	0	0	111.7	Q531 T532 K537 G539	Q531-T535 WeakPolarHBondContact O-CB 3.34Å; Q531-T535 PolarHBondContact O-N 3.47Å; Q531-T535 PolarHBondContact O-OG1 2.92Å; Q531-T535 VanDerWaalsContact O-OG1 3.1Å; T532-T535 PolarHBondContact O-N 2.94Å; T535-K537 VanDerWaalsContact C-N 3.34Å; T535-K537 PolarHBondContact O-N 3.24Å; T535-G539 WeakPolarHBondContact CA-O 3.19Å; T535-G539 CarbonylContact O-C 3.58Å; T535-G539 WeakPolarHBondContact O-CA 3.11Å; T535-G539 PolarHBondContact O-N 3.24Å; T535-G539 VanDerWaalsContact O-N 3.1Å
536	V	62.3	Low	57.3	Low	120 Å²	120	83.6 Å²	83.6	73%	0.727	44%	0.442	S	S	*	.	H	α-helix	trans	-66.2	-33.7	175.7	168.4	0	0	0	0	112.1	T532 K534	T532-V536 HydrophobicContact CG2-CG2 4.39Å; T532-V536 WeakPolarHBondContact O-CB 3.43Å; T532-V536 WeakPolarHBondContact O-CG2 3.38Å; T532-V536 PolarHBondContact O-N 3.16Å; K534-V536 PolarHBondContact O-N 2.98Å
537	K	58.7	Low	58.1	Low	126 Å²	126	74.2 Å²	74.2	55%	0.548	41%	0.406	S	S	.	.	H	α-helix	trans	-87.6	-30.2	-178.6	-80.9	-163.2	164.7	-171.1	0	116.1	Y533 K534 T535	Y533-K537 HydrophobicContact CD1-CD 4.37Å; Y533-K537 HydrophobicContact CE1-CD 3.73Å; Y533-K537 HydrophobicContact CE2-CD 4.47Å; Y533-K537 WeakPolarHBondContact O-CB 3.28Å; Y533-K537 PolarHBondContact O-N 3.23Å; Y533-K537 VanDerWaalsContact O-N 3.11Å; Y533-K537 VanDerWaalsContact OH-CE 3.31Å; Y533-K537 WeakPolarHBondContact OH-CE 3.38Å; Y533-K537 PolarHBondContact OH-NZ 3.3Å; K534-K537 PolarHBondContact O-N 2.96Å; T535-K537 VanDerWaalsContact C-N 3.34Å; T535-K537 PolarHBondContact O-N 3.24Å
538	H	53.6	Low	58.8	Low	122 Å²	122	76.1 Å²	76.1	57%	0.565	42%	0.416	S	S	*	.	H	α-helix	trans	-130.2	9	-168.6	-55.2	90.6	0	0	0	113.8	K534	K534-H538 PolarHBondContact O-N 3.18Å; K534-H538 PolarHBondContact O-ND1 2.8Å
539	G	47.8	Very low	59.7	Low	37 Å²	37	75 Å²	75	38%	0.381	42%	0.415	S	S	.	.			trans	72.6	-179.4	-169	0	0	0	0	0	112.5	T535 D541	T535-G539 WeakPolarHBondContact CA-O 3.19Å; T535-G539 CarbonylContact O-C 3.58Å; T535-G539 WeakPolarHBondContact O-CA 3.11Å; T535-G539 PolarHBondContact O-N 3.24Å; T535-G539 VanDerWaalsContact O-N 3.1Å; G539-D541 PolarHBondContact O-N 3.23Å
540	A	51.8	Low	60.8	Low	79 Å²	79	71.2 Å²	71.2	65%	0.653	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-63	-25.1	-172.4	0	0	0	0	0	114.2	G542	A540-G542 VanDerWaalsContact C-N 3.32Å; A540-G542 PolarHBondContact O-N 3.31Å
541	D	47.4	Very low	62.1	Low	139 Å²	139	69.1 Å²	69.1	74%	0.743	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-81	-4.5	-164.6	-59.3	-36.1	0	0	0	115.3	G539	G539-D541 PolarHBondContact O-N 3.23Å
542	G	45.3	Very low	63.5	Low	27 Å²	27	72.1 Å²	72.1	28%	0.278	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-119	0.8	-179.3	0	0	0	0	0	116.1	A540	A540-G542 VanDerWaalsContact C-N 3.32Å; A540-G542 PolarHBondContact O-N 3.31Å
543	G	44.6	Very low	64.7	Low	15 Å²	15	70.4 Å²	70.4	16%	0.155	37%	0.365	C	S	.	.	S	Bend	trans	-71.1	158	-176.7	0	0	0	0	0	114	V545	G543-V545 PolarHBondContact O-N 2.81Å
544	S	52.2	Low	66.1	Low	23 Å²	23	63.9 Å²	63.9	16%	0.161	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-58.6	129.2	173.1	51	0	0	0	0	110.4	K527 Q531	K527-S544 PolarHBondContact O-OG 3.2Å; Q531-S544 WeakPolarHBondContact CA-OG 3.26Å; Q531-S544 WeakPolarHBondContact CB-OG 3.38Å; Q531-S544 WeakPolarHBondContact CG-O 3.31Å; Q531-S544 WeakPolarHBondContact CG-OG 3.45Å; Q531-S544 PolarHBondContact N-OG 2.9Å; Q531-S544 PolarHBondContact NE2-O 2.98Å
545	V	61.9	Low	67.6	Low	25 Å²	25	61 Å²	61	15%	0.152	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-73.4	132.3	-171.2	-174.3	0	0	0	0	108.8	G543 F549 Y550	G543-V545 PolarHBondContact O-N 2.81Å; V545-F549 HydrophobicContact CG1-CB 3.23Å; V545-F549 HydrophobicContact CG1-CG 4.48Å; V545-Y550 VanDerWaalsContact CG1-N 3.33Å
546	K	74.3	Confident	68.9	Low	112 Å²	112	62 Å²	62	49%	0.487	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-61.2	153.7	173.5	-55.8	-176	178.2	-176.7	0	109.7	E548 F549 Y550	K546-E548 WeakPolarHBondContact CB-OE2 3.38Å; K546-E548 PolarHBondContact O-N 3.08Å; K546-E548 VanDerWaalsContact O-N 3.08Å; K546-F549 HydrophobicContact CB-CD2 4.2Å; K546-F549 PolarHBondContact O-N 3.02Å; K546-Y550 PolarHBondContact O-N 3Å
547	P	79.7	Confident	70	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.013	30%	0.296	C	S	.	.	H	α-helix	trans	-49.6	-41.3	-175.4	-26.5	33.8	0	0	0	114.3	N322 I324 Y523 F549 Y550 G551	N322-P547 HydrophobicContact CB-CG 4.47Å; I324-P547 HydrophobicContact CG2-CB 3.84Å; I324-P547 HydrophobicContact CG2-CG 3.86Å; Y523-P547 HydrophobicContact CD1-CG 4.42Å; Y523-P547 HydrophobicContact CG-CG 4.23Å; P547-F549 VanDerWaalsContact C-N 3.28Å; P547-F549 PolarHBondContact O-N 2.95Å; P547-Y550 PolarHBondContact O-N 3.41Å; P547-Y550 VanDerWaalsContact O-N 3.12Å; P547-G551 PolarHBondContact O-N 3.15Å; P547-G551 VanDerWaalsContact O-N 3.07Å
548	E	79.3	Confident	71.4	Confident	74 Å²	74	50.8 Å²	50.8	35%	0.346	27%	0.271	S	S	.	.	H	α-helix	trans	-68.4	-25.9	-176.4	-38.6	77.4	-169.4	0	0	112.9	K546 R552	K546-E548 WeakPolarHBondContact CB-OE2 3.38Å; K546-E548 PolarHBondContact O-N 3.08Å; K546-E548 VanDerWaalsContact O-N 3.08Å; E548-R552 PolarHBondContact O-NE 3Å; E548-R552 PolarHBondContact O-NH2 3.04Å
549	F	82.7	Confident	73	Confident	101 Å²	101	50.3 Å²	50.3	44%	0.443	27%	0.269	S	S	.	.	H	α-helix	trans	-91.4	-24.8	173.9	-69.9	-88.7	0	0	0	111.9	V545 K546 P547 R552 R553	V545-F549 HydrophobicContact CG1-CB 3.23Å; V545-F549 HydrophobicContact CG1-CG 4.48Å; K546-F549 HydrophobicContact CB-CD2 4.2Å; K546-F549 PolarHBondContact O-N 3.02Å; P547-F549 VanDerWaalsContact C-N 3.28Å; P547-F549 PolarHBondContact O-N 2.95Å; F549-R552 VanDerWaalsContact CD1-NH2 3.31Å; F549-R553 VanDerWaalsContact O-CG 3.31Å; F549-R553 WeakPolarHBondContact O-CG 3.48Å; F549-R553 PolarHBondContact O-N 3.33Å
550	Y	84.7	Confident	74.7	Confident	18 Å²	18	52.8 Å²	52.8	7%	0.071	27%	0.271	C	S	.	.	H	α-helix	trans	-69.2	-50.2	178.1	-173.9	-97.1	0	0	0	110.2	I324 D325 Y326 V545 K546 P547 R553 L554	I324-Y550 HydrophobicContact CB-CD1 4.15Å; I324-Y550 HydrophobicContact CB-CG 4.24Å; I324-Y550 HydrophobicContact CG2-CD1 4.27Å; I324-Y550 HydrophobicContact CG2-CG 4.2Å; D325-Y550 WeakPolarHBondContact CA-OH 3.34Å; Y326-Y550 HydrophobicContact CD1-CD1 4.35Å; Y326-Y550 HydrophobicContact CD1-CE1 4.04Å; Y326-Y550 HydrophobicContact CD2-CD1 4.47Å; Y326-Y550 AromaticContact CD2-CE1 3.84Å; Y326-Y550 HydrophobicContact CD2-CE1 3.84Å; Y326-Y550 AromaticContact CE1-CD1 3.8Å; Y326-Y550 HydrophobicContact CE1-CD1 3.8Å; Y326-Y550 AromaticContact CE1-CE1 3.93Å; Y326-Y550 HydrophobicContact CE1-CE1 3.93Å; Y326-Y550 AromaticContact CE2-CD1 3.93Å; Y326-Y550 HydrophobicContact CE2-CD1 3.93Å; Y326-Y550 AromaticContact CE2-CE1 3.72Å; Y326-Y550 HydrophobicContact CE2-CE1 3.72Å; Y326-Y550 HydrophobicContact CG-CE1 4.01Å; Y326-Y550 AromaticContact CZ-CD1 3.57Å; Y326-Y550 AromaticContact CZ-CE1 3.79Å; Y326-Y550 PolarHBondContact O-OH 3.21Å; V545-Y550 VanDerWaalsContact CG1-N 3.33Å; K546-Y550 PolarHBondContact O-N 3Å; P547-Y550 PolarHBondContact O-N 3.41Å; P547-Y550 VanDerWaalsContact O-N 3.12Å; Y550-R553 PolarHBondContact O-N 3.43Å; Y550-L554 PolarHBondContact O-N 2.92Å
551	G	85.4	Confident	76.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-46.2	178.1	0	0	0	0	0	113.5	I315 Y326 P547 R553 L554 L555	I315-G551 VanDerWaalsContact CG2-CA 3.49Å; Y326-G551 VanDerWaalsContact OH-CA 3.23Å; Y326-G551 WeakPolarHBondContact OH-CA 3.36Å; P547-G551 PolarHBondContact O-N 3.15Å; P547-G551 VanDerWaalsContact O-N 3.07Å; G551-R553 VanDerWaalsContact C-N 3.32Å; G551-R553 PolarHBondContact O-N 2.89Å; G551-L554 PolarHBondContact O-N 2.72Å; G551-L554 VanDerWaalsContact O-N 3.11Å; G551-L555 PolarHBondContact O-N 3.29Å
552	R	86.3	Confident	78	Confident	114 Å²	114	42.9 Å²	42.9	43%	0.43	21%	0.207	S	C	.	.	H	α-helix	trans	-58.3	-40.5	177.7	-79.7	-176	-71.7	165	-1.1	113.2	E548 F549 L554 L555 E556	E548-R552 PolarHBondContact O-NE 3Å; E548-R552 PolarHBondContact O-NH2 3.04Å; F549-R552 VanDerWaalsContact CD1-NH2 3.31Å; R552-L554 VanDerWaalsContact C-N 3.33Å; R552-L554 PolarHBondContact O-N 3.01Å; R552-L555 PolarHBondContact O-N 2.74Å; R552-E556 WeakPolarHBondContact O-CB 3.29Å; R552-E556 WeakPolarHBondContact O-CG 3.43Å; R552-E556 PolarHBondContact O-N 2.63Å
553	R	86	Confident	79.6	Confident	52 Å²	52	46.2 Å²	46.2	20%	0.196	22%	0.219	C	C	.	.	H	α-helix	trans	-64.5	-35.2	176.2	-74.2	175.9	-177.1	-162.7	-0.1	113.1	Y206 F549 Y550 G551 F557	Y206-R553 WeakPolarHBondContact O-CD 3.4Å; Y206-R553 PolarHBondContact O-NE 2.83Å; F549-R553 VanDerWaalsContact O-CG 3.31Å; F549-R553 WeakPolarHBondContact O-CG 3.48Å; F549-R553 PolarHBondContact O-N 3.33Å; Y550-R553 PolarHBondContact O-N 3.43Å; G551-R553 VanDerWaalsContact C-N 3.32Å; G551-R553 PolarHBondContact O-N 2.89Å; R553-F557 VanDerWaalsContact O-CB 3.32Å; R553-F557 WeakPolarHBondContact O-CB 3.42Å; R553-F557 PolarHBondContact O-N 3.22Å; R553-F557 VanDerWaalsContact O-N 3.17Å
554	L	87.5	Confident	81.4	Confident	4 Å²	4	47.8 Å²	47.8	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-67.5	-45.7	174.5	-175.4	64	0	0	0	110.6	I315 Y326 L328 Y550 G551 R552 F557 V558	I315-L554 HydrophobicContact CD1-CB 4.4Å; I315-L554 HydrophobicContact CD1-CD2 4.32Å; Y326-L554 HydrophobicContact CD2-CD2 3.91Å; Y326-L554 HydrophobicContact CE2-CD2 3.69Å; L328-L554 HydrophobicContact CB-CD1 4.27Å; Y550-L554 PolarHBondContact O-N 2.92Å; G551-L554 PolarHBondContact O-N 2.72Å; G551-L554 VanDerWaalsContact O-N 3.11Å; R552-L554 VanDerWaalsContact C-N 3.33Å; R552-L554 PolarHBondContact O-N 3.01Å; L554-F557 PolarHBondContact O-N 2.79Å; L554-V558 HydrophobicContact CD1-CG2 4.29Å; L554-V558 HydrophobicContact CG-CG2 4.42Å; L554-V558 VanDerWaalsContact O-CG2 3.22Å; L554-V558 WeakPolarHBondContact O-CG2 3.31Å; L554-V558 PolarHBondContact O-N 3.03Å
555	L	89.2	Confident	82.9	Confident	33 Å²	33	49.1 Å²	49.1	17%	0.173	23%	0.225	C	C	.	.	H	α-helix	trans	-60.3	-52.7	178.1	-176	67.5	0	0	0	112.1	L308 L311 E312 I315 G551 R552 F557 V558 E559	L308-L555 HydrophobicContact CD2-CD1 4.27Å; L311-L555 HydrophobicContact CD2-CD1 4.07Å; L311-L555 HydrophobicContact CG-CD1 4.17Å; E312-L555 HydrophobicContact CG-CD1 3.8Å; E312-L555 HydrophobicContact CG-CD2 3.62Å; E312-L555 HydrophobicContact CG-CG 4.37Å; I315-L555 HydrophobicContact CD1-CB 4.07Å; G551-L555 PolarHBondContact O-N 3.29Å; R552-L555 PolarHBondContact O-N 2.74Å; L555-F557 PolarHBondContact O-N 3.4Å; L555-V558 PolarHBondContact O-N 2.62Å; L555-V558 VanDerWaalsContact O-N 3.14Å; L555-E559 PolarHBondContact O-N 3.31Å
556	E	87	Confident	84.1	Confident	80 Å²	80	50.4 Å²	50.4	37%	0.374	23%	0.229	S	C	.	.	H	α-helix	trans	-56.4	-36.2	177.4	-74.5	171.7	-158.7	0	0	112.3	R552 Q560	R552-E556 WeakPolarHBondContact O-CB 3.29Å; R552-E556 WeakPolarHBondContact O-CG 3.43Å; R552-E556 PolarHBondContact O-N 2.63Å; E556-Q560 VanDerWaalsContact O-CG 3.32Å; E556-Q560 WeakPolarHBondContact O-CG 3.42Å; E556-Q560 PolarHBondContact O-N 3.22Å; E556-Q560 PolarHBondContact O-NE2 2.91Å
557	F	85.2	Confident	84.7	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-71.6	-45.8	176.7	174	-122.2	0	0	0	112	L201 N203 F290 L291 R553 L554 L555 E559 Q560 C561	L201-F557 HydrophobicContact CB-CE1 4.17Å; L201-F557 HydrophobicContact CD1-CE1 4.03Å; L201-F557 HydrophobicContact CD2-CE1 4.17Å; L201-F557 HydrophobicContact CG-CE1 4.35Å; N203-F557 HydrophobicContact CB-CB 3.99Å; N203-F557 HydrophobicContact CB-CD1 3.51Å; N203-F557 HydrophobicContact CB-CD2 4.42Å; N203-F557 HydrophobicContact CB-CE1 4.01Å; N203-F557 HydrophobicContact CB-CG 3.71Å; N203-F557 WeakPolarHBondContact ND2-CD1 3.42Å; N203-F557 WeakPolarHBondContact ND2-CD2 3.41Å; N203-F557 WeakPolarHBondContact ND2-CE1 3.26Å; N203-F557 WeakPolarHBondContact ND2-CE2 3.4Å; N203-F557 WeakPolarHBondContact ND2-CG 3.36Å; N203-F557 WeakPolarHBondContact ND2-CZ 3.45Å; F290-F557 HydrophobicContact CD1-CZ 4.36Å; L291-F557 HydrophobicContact CD1-CE2 4.38Å; L291-F557 HydrophobicContact CD2-CE2 4.11Å; L291-F557 HydrophobicContact CG-CE2 4.25Å; R553-F557 VanDerWaalsContact O-CB 3.32Å; R553-F557 WeakPolarHBondContact O-CB 3.42Å; R553-F557 PolarHBondContact O-N 3.22Å; R553-F557 VanDerWaalsContact O-N 3.17Å; L554-F557 PolarHBondContact O-N 2.79Å; L555-F557 PolarHBondContact O-N 3.4Å; F557-E559 VanDerWaalsContact C-N 3.35Å; F557-E559 PolarHBondContact O-N 3.01Å; F557-Q560 PolarHBondContact O-N 3.19Å; F557-C561 WeakPolarHBondContact CE2-SG 3.49Å; F557-C561 WeakPolarHBondContact CZ-SG 3.37Å; F557-C561 PolarHBondContact O-N 3.34Å; F557-C561 VanDerWaalsContact O-N 3.09Å; F557-C561 PolarHBondContact O-SG 3.21Å
558	V	87.4	Confident	85	Confident	5 Å²	5	49.6 Å²	49.6	3%	0.03	23%	0.227	C	C	.	.	H	α-helix	trans	-64	-41.5	-179.1	172	0	0	0	0	110.9	L308 L311 L328 L554 L555 Q560 C561 I562	L308-V558 HydrophobicContact CD2-CG1 4.32Å; L311-V558 HydrophobicContact CD2-CB 3.94Å; L311-V558 HydrophobicContact CD2-CG1 3.68Å; L311-V558 HydrophobicContact CD2-CG2 4.1Å; L328-V558 HydrophobicContact CD2-CG1 4.29Å; L328-V558 HydrophobicContact CD2-CG2 3.55Å; L554-V558 HydrophobicContact CD1-CG2 4.29Å; L554-V558 HydrophobicContact CG-CG2 4.42Å; L554-V558 VanDerWaalsContact O-CG2 3.22Å; L554-V558 WeakPolarHBondContact O-CG2 3.31Å; L554-V558 PolarHBondContact O-N 3.03Å; L555-V558 PolarHBondContact O-N 2.62Å; L555-V558 VanDerWaalsContact O-N 3.14Å; V558-Q560 VanDerWaalsContact C-N 3.28Å; V558-Q560 PolarHBondContact O-N 3.19Å; V558-C561 WeakPolarHBondContact O-CB 3.21Å; V558-C561 PolarHBondContact O-N 3.35Å; V558-I562 HydrophobicContact CG1-CD1 3.87Å; V558-I562 VanDerWaalsContact O-CD1 3.24Å; V558-I562 WeakPolarHBondContact O-CD1 3.26Å; V558-I562 WeakPolarHBondContact O-CG1 3.44Å; V558-I562 PolarHBondContact O-N 3.35Å
559	E	87.4	Confident	85.4	Confident	112 Å²	112	48 Å²	48	52%	0.523	22%	0.219	S	C	.	.	H	α-helix	trans	-55.6	-42	174.9	-173.4	-178.9	-162.6	0	0	112.3	L308 L555 F557 C561 I562	L308-E559 HydrophobicContact CD1-CG 4.43Å; L308-E559 HydrophobicContact CD2-CB 4.41Å; L555-E559 PolarHBondContact O-N 3.31Å; F557-E559 VanDerWaalsContact C-N 3.35Å; F557-E559 PolarHBondContact O-N 3.01Å; E559-C561 VanDerWaalsContact C-N 3.33Å; E559-I562 PolarHBondContact O-N 3.19Å
560	Q	83.5	Confident	85.5	Confident	89 Å²	89	44.2 Å²	44.2	42%	0.416	20%	0.203	S	C	.	.	H	α-helix	trans	-73.6	-22.8	177.1	-68.5	168.6	48.4	0	0	114	Y206 E556 F557 V558 I562	Y206-Q560 VanDerWaalsContact CE1-NE2 3.32Å; Y206-Q560 VanDerWaalsContact CZ-NE2 3.26Å; Y206-Q560 VanDerWaalsContact OH-CD 3.28Å; Y206-Q560 PolarHBondContact OH-NE2 3.16Å; Y206-Q560 PolarHBondContact OH-OE1 3.31Å; E556-Q560 VanDerWaalsContact O-CG 3.32Å; E556-Q560 WeakPolarHBondContact O-CG 3.42Å; E556-Q560 PolarHBondContact O-N 3.22Å; E556-Q560 PolarHBondContact O-NE2 2.91Å; F557-Q560 PolarHBondContact O-N 3.19Å; V558-Q560 VanDerWaalsContact C-N 3.28Å; V558-Q560 PolarHBondContact O-N 3.19Å; Q560-I562 VanDerWaalsContact C-N 3.25Å; Q560-I562 PolarHBondContact O-N 3.22Å
561	C	83.8	Confident	85.6	Confident	6 Å²	6	46.2 Å²	46.2	4%	0.041	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-7.7	178.9	-69.4	0	0	0	0	113.1	F290 K296 M297 F557 V558 E559	F290-C561 HydrophobicContact CE1-CB 3.63Å; F290-C561 WeakPolarHBondContact CE1-SG 3.39Å; F290-C561 HydrophobicContact CZ-CB 4.01Å; K296-C561 CarbonylContact C-O 3.59Å; K296-C561 WeakPolarHBondContact CA-O 3.33Å; M297-C561 PolarHBondContact N-O 2.9Å; F557-C561 WeakPolarHBondContact CE2-SG 3.49Å; F557-C561 WeakPolarHBondContact CZ-SG 3.37Å; F557-C561 PolarHBondContact O-N 3.34Å; F557-C561 VanDerWaalsContact O-N 3.09Å; F557-C561 PolarHBondContact O-SG 3.21Å; V558-C561 WeakPolarHBondContact O-CB 3.21Å; V558-C561 PolarHBondContact O-N 3.35Å; E559-C561 VanDerWaalsContact C-N 3.33Å
562	I	84.8	Confident	85.6	Confident	5 Å²	5	50.1 Å²	50.1	3%	0.026	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-114.6	125.7	-175.3	-53	151.2	0	0	0	109.5	M297 I299 K304 M307 L308 V558 E559 Q560	M297-I562 CarbonylContact O-C 3.59Å; M297-I562 WeakPolarHBondContact O-CA 3.48Å; I299-I562 HydrophobicContact CB-CG2 3.98Å; I299-I562 HydrophobicContact CD1-CG2 4.18Å; I299-I562 HydrophobicContact CG1-CG2 4.25Å; K304-I562 HydrophobicContact CB-CG2 4.36Å; K304-I562 HydrophobicContact CD-CB 4.42Å; K304-I562 HydrophobicContact CD-CG2 3.69Å; K304-I562 HydrophobicContact CG-CG2 3.84Å; K304-I562 PolarHBondContact NZ-O 3.39Å; M307-I562 HydrophobicContact CE-CD1 3.25Å; M307-I562 HydrophobicContact CE-CG1 3.99Å; L308-I562 HydrophobicContact CD2-CD1 4.18Å; V558-I562 HydrophobicContact CG1-CD1 3.87Å; V558-I562 VanDerWaalsContact O-CD1 3.24Å; V558-I562 WeakPolarHBondContact O-CD1 3.26Å; V558-I562 WeakPolarHBondContact O-CG1 3.44Å; V558-I562 PolarHBondContact O-N 3.35Å; E559-I562 PolarHBondContact O-N 3.19Å; Q560-I562 VanDerWaalsContact C-N 3.25Å; Q560-I562 PolarHBondContact O-N 3.22Å
563	D	79.6	Confident	85.6	Confident	97 Å²	97	44.3 Å²	44.3	52%	0.519	21%	0.212	S	C	.	.			trans	-84.6	0	161.3	-125.4	-6.2	0	0	0	108.8	K296 M297 I299 K304	K296-D563 HydrophobicContact CB-CB 4.08Å; K296-D563 HydrophobicContact CD-CB 3.45Å; K296-D563 VanDerWaalsContact CD-CB 3.45Å; K296-D563 WeakPolarHBondContact CD-OD2 3.45Å; K296-D563 HydrophobicContact CG-CB 4.45Å; K296-D563 IonicContact NZ-OD1 3.86Å; K296-D563 PolarHBondContact NZ-OD1 3.44Å; K296-D563 IonicContact NZ-OD2 3.26Å; K296-D563 PolarHBondContact NZ-OD2 3.18Å; M297-D563 PolarHBondContact O-N 3.26Å; I299-D563 PolarHBondContact N-O 3.46Å; K304-D563 PolarHBondContact NZ-OXT 3.18Å

Retrieved 563 of 563 residues in 907.8 ms (Link to these results)

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