A0A3Q0KBN6_SCHMA Loading...

Family C2 unassigned peptidase (C02 family)

AlphaFold DB , UniProt , Accession A0A3Q0KBN6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 704 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	35.8	Very low	56	Low	248 Å²	248	103.8 Å²	103.8	100%	1.222	58%	0.583	S	S	*	*				0	75.7	0	-65.6	-178.4	-167	0	0	109.8
2	R	29.2	Very low	59.2	Low	260 Å²	260	104.6 Å²	104.6	98%	0.981	59%	0.592	S	S	*	*			trans	-98.4	79.8	169	-74.7	-175.1	-177.2	-174.5	0.6	107
3	G	31.2	Very low	61.8	Low	62 Å²	62	103 Å²	103	64%	0.639	58%	0.577	S	S	*	*			trans	-106.4	112.1	179	0	0	0	0	0	110.3
4	Q	30	Very low	64	Low	190 Å²	190	101.5 Å²	101.5	89%	0.888	56%	0.557	S	S	*	*			trans	38	82.4	144	-64.5	175.8	-15	0	0	118.6
5	C	35.6	Very low	66.1	Low	85 Å²	85	97.4 Å²	97.4	57%	0.574	54%	0.537	S	S	*	.			trans	-125.9	29.8	154.8	-78.1	0	0	0	0	111.3	G7	C5-G7 PolarHBondContact O-N 2.87Å
6	S	44.5	Very low	67.9	Low	128 Å²	128	93.5 Å²	93.5	90%	0.895	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	7	-169.8	60.8	0	0	0	0	115.5
7	G	55.1	Low	69.5	Low	48 Å²	48	94.3 Å²	94.3	50%	0.495	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-19.1	-176.9	0	0	0	0	0	116.3	C5 Q13	C5-G7 PolarHBondContact O-N 2.87Å; G7-Q13 PolarHBondContact O-NE2 3.27Å; G7-Q13 PolarHBondContact O-OE1 2.81Å
8	S	74.6	Confident	70.6	Confident	32 Å²	32	89.5 Å²	89.5	22%	0.224	49%	0.485	C	S	.	.			trans	-140.7	50.3	-162.6	-175.5	0	0	0	0	113	H16 W27	S8-H16 PolarHBondContact OG-CE1 3.33Å; S8-H16 PolarHBondContact OG-ND1 3.47Å; S8-W27 PolarHBondContact O-NE1 3.4Å
9	S	91.1	Very high	71.5	Confident	17 Å²	17	91.2 Å²	91.2	12%	0.119	50%	0.499	C	S	.	.			trans	-96.7	146.4	171.4	-177.6	0	0	0	0	111	L11 V12 Q13 E31	S9-L11 PolarHBondContact O-N 3.09Å; S9-V12 PolarHBondContact O-N 3.34Å; S9-Q13 PolarHBondContact O-N 3.48Å; S9-E31 WeakPolarHBondContact CA-OE2 3.48Å; S9-E31 PolarHBondContact OG-OE2 3.35Å
10	V	94.2	Very high	72.5	Confident	5 Å²	5	88.2 Å²	88.2	3%	0.03	49%	0.485	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-13.8	177.5	-59.9	0	0	0	0	113.9	W27 E31 F42 F46 M134 V149	V10-W27 HydrophobicContact CG1-CH2 3.63Å; V10-W27 HydrophobicContact CG1-CZ2 3.62Å; V10-E31 HydrophobicContact CG1-CB 4.4Å; V10-E31 HydrophobicContact CG1-CG 3.96Å; V10-E31 WeakPolarHBondContact CG2-OE2 3.42Å; V10-E31 PolarHBondContact N-OE2 3.47Å; V10-F42 HydrophobicContact CB-CZ 4.3Å; V10-F42 HydrophobicContact CG2-CE2 3.6Å; V10-F42 HydrophobicContact CG2-CZ 3.79Å; V10-F46 WeakPolarHBondContact O-CE2 3.19Å; V10-M134 HydrophobicContact CG1-CE 4.45Å; V10-M134 HydrophobicContact CG2-CE 3.83Å; V10-V149 HydrophobicContact CB-CB 4.48Å; V10-V149 HydrophobicContact CG1-CB 3.82Å; V10-V149 HydrophobicContact CG1-CG1 4.23Å; V10-V149 HydrophobicContact CG1-CG2 3.76Å
11	L	94.5	Very high	73.4	Confident	67 Å²	67	85.7 Å²	85.7	35%	0.351	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-17.2	174.7	-68.1	-170.5	0	0	0	114	S9 F42 P45	S9-L11 PolarHBondContact O-N 3.09Å; L11-F42 HydrophobicContact CD2-CD2 4.48Å; L11-F42 HydrophobicContact CD2-CE2 3.71Å; L11-P45 HydrophobicContact CD2-CG 4.08Å
12	V	94.2	Very high	76.1	Confident	113 Å²	113	80.2 Å²	80.2	69%	0.685	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.6	-25.4	-173.8	-171.1	0	0	0	0	111.3	S9 F46	S9-V12 PolarHBondContact O-N 3.34Å; V12-F46 VanDerWaalsContact C-CZ 3.46Å; V12-F46 WeakPolarHBondContact O-CZ 3.18Å
13	Q	93.4	Very high	79.1	Confident	84 Å²	84	70.8 Å²	70.8	39%	0.393	42%	0.416	S	S	.	.			trans	-122.5	136.9	176.3	-65.2	-172.7	-24.6	0	0	111.1	G7 S9 T15 F46	G7-Q13 PolarHBondContact O-NE2 3.27Å; G7-Q13 PolarHBondContact O-OE1 2.81Å; S9-Q13 PolarHBondContact O-N 3.48Å; Q13-T15 VanDerWaalsContact C-N 3.34Å; Q13-F46 WeakPolarHBondContact O-CE2 3.25Å
14	R	93.2	Very high	82.1	Confident	82 Å²	82	67.9 Å²	67.9	31%	0.309	39%	0.385	S	S	.	.	S	Bend	trans	-68	-34.2	179.1	-177.7	177.3	175.1	-172.6	-8.7	112.6	F46 K183 L184	R14-F46 HydrophobicContact CB-CB 4.34Å; R14-F46 HydrophobicContact CB-CD1 3.93Å; R14-F46 HydrophobicContact CB-CD2 4.27Å; R14-F46 HydrophobicContact CB-CE1 4.33Å; R14-F46 HydrophobicContact CB-CG 3.91Å; R14-F46 HydrophobicContact CG-CB 4.07Å; R14-F46 HydrophobicContact CG-CD1 4.43Å; R14-F46 HydrophobicContact CG-CG 4.19Å; R14-K183 HydrophobicContact CG-CG 4.41Å; R14-K183 PolarHBondContact NE-O 3.43Å; R14-K183 PolarHBondContact NH2-O 2.93Å; R14-K183 VanDerWaalsContact O-CE 3.24Å; R14-K183 WeakPolarHBondContact O-CE 3.45Å; R14-L184 VanDerWaalsContact NH2-C 3.3Å; R14-L184 PolarHBondContact NH2-O 3.38Å
15	T	95.1	Very high	85.2	Confident	40 Å²	40	59.4 Å²	59.4	25%	0.245	35%	0.348	C	S	.	.			trans	-139.5	158.5	-179.2	63.6	0	0	0	0	110	Q13 D147 V148 L184	Q13-T15 VanDerWaalsContact C-N 3.34Å; T15-D147 WeakPolarHBondContact CA-O 3.49Å; T15-V148 HydrophobicContact CG2-CG2 3.97Å; T15-L184 HydrophobicContact CG2-CD1 3.83Å
16	H	95.5	Very high	88	Confident	35 Å²	35	59.3 Å²	59.3	16%	0.162	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126.4	174.4	169.3	72	0	0	0	109.6	S8 W27 Y146 D147	S8-H16 PolarHBondContact OG-CE1 3.33Å; S8-H16 PolarHBondContact OG-ND1 3.47Å; H16-W27 HydrophobicContact CB-CD2 4.28Å; H16-W27 HydrophobicContact CB-CE3 4.42Å; H16-W27 HydrophobicContact CB-CH2 3.67Å; H16-W27 HydrophobicContact CB-CZ2 3.5Å; H16-W27 HydrophobicContact CB-CZ3 4.16Å; H16-W27 AromaticContact CD2-CD2 3.47Å; H16-W27 VanDerWaalsContact CD2-CD2 3.47Å; H16-W27 AromaticContact CD2-CE2 3.8Å; H16-W27 AromaticContact CD2-CE3 3.75Å; H16-W27 AromaticContact CD2-CG 3.74Å; H16-W27 AromaticContact CE1-CD1 3.98Å; H16-W27 AromaticContact CG-CD2 3.83Å; H16-W27 AromaticContact CG-CE2 3.64Å; H16-W27 AromaticContact CG-CZ2 3.89Å; H16-W27 AromaticContact ND1-NE1 4Å; H16-W27 AromaticContact NE2-CD1 3.92Å; H16-W27 AromaticContact NE2-CD2 3.93Å; H16-W27 AromaticContact NE2-CG 3.66Å; H16-Y146 CarbonylContact O-C 3.55Å; H16-Y146 WeakPolarHBondContact O-CA 3.33Å; H16-D147 HydrophobicContact CB-CB 4.16Å; H16-D147 IonicContact CD2-OD2 3.88Å; H16-D147 PolarHBondContact CD2-OD2 3.34Å; H16-D147 PolarHBondContact N-O 3.35Å; H16-D147 PolarHBondContact O-N 3.07Å
17	K	94.6	Very high	90.5	Very high	107 Å²	107	54.4 Å²	54.4	47%	0.465	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	130.9	176.6	178.9	173.7	171.5	165	0	109.8	D144 Y146	K17-D144 HydrophobicContact CD-CB 4.24Å; K17-D144 WeakPolarHBondContact CE-OD1 3.42Å; K17-D144 WeakPolarHBondContact CE-OD2 3.44Å; K17-D144 HydrophobicContact CG-CB 4.45Å; K17-D144 IonicContact NZ-OD1 2.67Å; K17-D144 PolarHBondContact NZ-OD1 3.21Å; K17-D144 IonicContact NZ-OD2 3.5Å; K17-D144 PolarHBondContact NZ-OD2 2.67Å; K17-Y146 HydrophobicContact CB-CD1 4.04Å; K17-Y146 HydrophobicContact CB-CE1 3.76Å; K17-Y146 HydrophobicContact CG-CE1 4.32Å
18	S	89.9	Confident	92.5	Very high	8 Å²	8	52.1 Å²	52.1	6%	0.056	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	154.7	178.1	54	0	0	0	0	112.9	S24 R138 W145 D147	S18-S24 WeakPolarHBondContact CB-OG 3.43Å; S18-S24 PolarHBondContact OG-OG 2.83Å; S18-R138 PolarHBondContact OG-NH2 2.95Å; S18-W145 PolarHBondContact N-O 3.13Å; S18-D147 WeakPolarHBondContact CB-OD2 3.48Å; S18-D147 PolarHBondContact OG-OD2 3.21Å
19	T	87.6	Confident	93.5	Very high	121 Å²	121	54.7 Å²	54.7	74%	0.742	29%	0.287	S	S	*	.	S	Bend	trans	-97.1	-22.6	-178.8	51.9	0	0	0	0	113.3
20	S	90.3	Very high	93.7	Very high	31 Å²	31	58.3 Å²	58.3	22%	0.217	30%	0.302	C	S	.	.	S	Bend	trans	-155	163.2	178	84.2	0	0	0	0	111.5	E22 C23 S24 R138	S20-E22 VanDerWaalsContact C-N 3.25Å; S20-E22 WeakPolarHBondContact CB-OE2 3.44Å; S20-E22 PolarHBondContact O-N 3.31Å; S20-E22 PolarHBondContact OG-N 2.91Å; S20-E22 PolarHBondContact OG-OE2 3.44Å; S20-C23 PolarHBondContact O-N 3.43Å; S20-C23 PolarHBondContact OG-N 3.03Å; S20-S24 PolarHBondContact O-N 2.97Å; S20-S24 VanDerWaalsContact O-N 3.12Å; S20-S24 PolarHBondContact O-OG 2.82Å; S20-S24 VanDerWaalsContact O-OG 3.11Å; S20-R138 VanDerWaalsContact C-NH2 3.33Å; S20-R138 PolarHBondContact O-NH2 3.32Å
21	L	91	Very high	93.8	Very high	37 Å²	37	58.6 Å²	58.6	19%	0.194	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-34.3	176.3	-177.1	63	0	0	0	111.8	S24 A25 P118 W136 R138	L21-S24 PolarHBondContact O-N 3.01Å; L21-A25 WeakPolarHBondContact O-CB 3.46Å; L21-A25 PolarHBondContact O-N 3Å; L21-P118 HydrophobicContact CD1-CB 4.17Å; L21-P118 HydrophobicContact CD1-CG 3.96Å; L21-W136 HydrophobicContact CD1-CH2 3.6Å; L21-W136 HydrophobicContact CD1-CZ2 4.21Å; L21-W136 HydrophobicContact CD1-CZ3 4.47Å; L21-R138 VanDerWaalsContact CD1-CD 3.47Å
22	E	92.3	Very high	94	Very high	132 Å²	132	55.9 Å²	55.9	62%	0.617	29%	0.289	S	S	*	.	H	α-helix	trans	-67	-45.3	176.6	-56.6	96.9	175.3	0	0	111.9	S20 S24 A25 D26	S20-E22 VanDerWaalsContact C-N 3.25Å; S20-E22 WeakPolarHBondContact CB-OE2 3.44Å; S20-E22 PolarHBondContact O-N 3.31Å; S20-E22 PolarHBondContact OG-N 2.91Å; S20-E22 PolarHBondContact OG-OE2 3.44Å; E22-S24 VanDerWaalsContact C-N 3.28Å; E22-S24 PolarHBondContact O-N 2.93Å; E22-A25 PolarHBondContact O-N 3.46Å; E22-D26 PolarHBondContact O-N 3.44Å
23	C	93.2	Very high	94.1	Very high	63 Å²	63	56.7 Å²	56.7	43%	0.426	28%	0.283	S	S	.	.	H	α-helix	trans	-58.1	-44.2	176.9	-69	0	0	0	0	111	S20 D26 W27	S20-C23 PolarHBondContact O-N 3.43Å; S20-C23 PolarHBondContact OG-N 3.03Å; C23-D26 PolarHBondContact O-N 3.42Å; C23-W27 PolarHBondContact O-N 3.3Å
24	S	94	Very high	94.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-65.8	-40.8	177.1	-54.6	0	0	0	0	113.2	S18 S20 L21 E22 D26 W27 F28 R138 D147	S18-S24 WeakPolarHBondContact CB-OG 3.43Å; S18-S24 PolarHBondContact OG-OG 2.83Å; S20-S24 PolarHBondContact O-N 2.97Å; S20-S24 VanDerWaalsContact O-N 3.12Å; S20-S24 PolarHBondContact O-OG 2.82Å; S20-S24 VanDerWaalsContact O-OG 3.11Å; L21-S24 PolarHBondContact O-N 3.01Å; E22-S24 VanDerWaalsContact C-N 3.28Å; E22-S24 PolarHBondContact O-N 2.93Å; S24-D26 VanDerWaalsContact C-N 3.3Å; S24-D26 PolarHBondContact O-N 3.29Å; S24-W27 PolarHBondContact O-N 3.17Å; S24-F28 WeakPolarHBondContact O-CB 3.23Å; S24-F28 PolarHBondContact O-N 3.45Å; S24-R138 PolarHBondContact OG-NE 3Å; S24-R138 PolarHBondContact OG-NH2 3.48Å; S24-D147 VanDerWaalsContact CB-OD1 3.25Å; S24-D147 WeakPolarHBondContact CB-OD1 3.4Å; S24-D147 VanDerWaalsContact CB-OD2 3.3Å; S24-D147 WeakPolarHBondContact CB-OD2 3.45Å; S24-D147 PolarHBondContact OG-OD1 2.81Å; S24-D147 PolarHBondContact OG-OD2 3.4Å
25	A	95.5	Very high	94.4	Very high	12 Å²	12	51.4 Å²	51.4	10%	0.099	27%	0.266	C	S	.	.	H	α-helix	trans	-61.4	-40.4	178	0	0	0	0	0	111.6	L21 E22 K29 Y129 W136	L21-A25 WeakPolarHBondContact O-CB 3.46Å; L21-A25 PolarHBondContact O-N 3Å; E22-A25 PolarHBondContact O-N 3.46Å; A25-K29 VanDerWaalsContact O-CG 3.29Å; A25-K29 WeakPolarHBondContact O-CG 3.26Å; A25-K29 PolarHBondContact O-N 3.38Å; A25-K29 VanDerWaalsContact O-N 3.1Å; A25-Y129 WeakPolarHBondContact CB-OH 3.5Å; A25-W136 HydrophobicContact CB-CH2 4.41Å; A25-W136 HydrophobicContact CB-CZ3 4.33Å
26	D	94.9	Very high	94.5	Very high	83 Å²	83	54 Å²	54	44%	0.444	28%	0.277	S	S	.	.	H	α-helix	trans	-71.7	-37.8	177.4	-75.2	-16.1	0	0	0	112.7	E22 C23 S24 K29 Q30	E22-D26 PolarHBondContact O-N 3.44Å; C23-D26 PolarHBondContact O-N 3.42Å; S24-D26 VanDerWaalsContact C-N 3.3Å; S24-D26 PolarHBondContact O-N 3.29Å; D26-K29 IonicContact OD1-NZ 3.28Å; D26-K29 PolarHBondContact OD1-NZ 3.11Å; D26-Q30 WeakPolarHBondContact O-CG 3.34Å; D26-Q30 PolarHBondContact O-N 3.48Å
27	W	95.8	Very high	94.5	Very high	25 Å²	25	59.3 Å²	59.3	10%	0.095	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-47.6	170.5	169	75.8	0	0	0	111.7	S8 V10 H16 C23 S24 K29 Q30 E31 D147 V149	S8-W27 PolarHBondContact O-NE1 3.4Å; V10-W27 HydrophobicContact CG1-CH2 3.63Å; V10-W27 HydrophobicContact CG1-CZ2 3.62Å; H16-W27 HydrophobicContact CB-CD2 4.28Å; H16-W27 HydrophobicContact CB-CE3 4.42Å; H16-W27 HydrophobicContact CB-CH2 3.67Å; H16-W27 HydrophobicContact CB-CZ2 3.5Å; H16-W27 HydrophobicContact CB-CZ3 4.16Å; H16-W27 AromaticContact CD2-CD2 3.47Å; H16-W27 VanDerWaalsContact CD2-CD2 3.47Å; H16-W27 AromaticContact CD2-CE2 3.8Å; H16-W27 AromaticContact CD2-CE3 3.75Å; H16-W27 AromaticContact CD2-CG 3.74Å; H16-W27 AromaticContact CE1-CD1 3.98Å; H16-W27 AromaticContact CG-CD2 3.83Å; H16-W27 AromaticContact CG-CE2 3.64Å; H16-W27 AromaticContact CG-CZ2 3.89Å; H16-W27 AromaticContact ND1-NE1 4Å; H16-W27 AromaticContact NE2-CD1 3.92Å; H16-W27 AromaticContact NE2-CD2 3.93Å; H16-W27 AromaticContact NE2-CG 3.66Å; C23-W27 PolarHBondContact O-N 3.3Å; S24-W27 PolarHBondContact O-N 3.17Å; W27-K29 VanDerWaalsContact C-N 3.33Å; W27-K29 PolarHBondContact O-N 2.86Å; W27-Q30 WeakPolarHBondContact O-CA 3.3Å; W27-Q30 WeakPolarHBondContact O-CB 3.49Å; W27-Q30 PolarHBondContact O-N 2.82Å; W27-E31 HydrophobicContact CD2-CG 4.37Å; W27-E31 HydrophobicContact CZ2-CG 3.86Å; W27-E31 PolarHBondContact O-N 2.86Å; W27-D147 HydrophobicContact CE3-CB 4.18Å; W27-D147 HydrophobicContact CH2-CB 4.3Å; W27-D147 HydrophobicContact CZ3-CB 3.65Å; W27-V149 HydrophobicContact CH2-CG2 3.67Å; W27-V149 HydrophobicContact CZ3-CG2 3.84Å
28	F	96.8	Very high	94.6	Very high	1 Å²	1	60 Å²	60	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-63.6	-37	-178.7	-175.5	-121.6	0	0	0	112.4	S24 Q30 E31 I32 Y129 M134 W136 V149	S24-F28 WeakPolarHBondContact O-CB 3.23Å; S24-F28 PolarHBondContact O-N 3.45Å; F28-Q30 VanDerWaalsContact C-N 3.27Å; F28-Q30 PolarHBondContact O-N 2.84Å; F28-E31 PolarHBondContact O-N 2.7Å; F28-I32 HydrophobicContact CD1-CD1 3.96Å; F28-I32 HydrophobicContact CE1-CD1 3.57Å; F28-I32 HydrophobicContact CE1-CG1 4.2Å; F28-I32 HydrophobicContact CE2-CG1 4.35Å; F28-I32 HydrophobicContact CZ-CD1 3.91Å; F28-I32 HydrophobicContact CZ-CG1 4.09Å; F28-I32 WeakPolarHBondContact O-CG1 3.37Å; F28-I32 PolarHBondContact O-N 2.91Å; F28-Y129 AromaticContact CD1-CD1 3.86Å; F28-Y129 HydrophobicContact CD1-CD1 3.86Å; F28-Y129 HydrophobicContact CD1-CE1 4.14Å; F28-Y129 HydrophobicContact CD1-CG 4.42Å; F28-Y129 HydrophobicContact CE1-CD1 4.18Å; F28-Y129 HydrophobicContact CE1-CG 4.33Å; F28-M134 HydrophobicContact CE2-CB 4.17Å; F28-M134 HydrophobicContact CE2-CE 4.31Å; F28-M134 HydrophobicContact CZ-CB 4.17Å; F28-W136 HydrophobicContact CB-CD2 4.21Å; F28-W136 HydrophobicContact CB-CE3 4.05Å; F28-W136 HydrophobicContact CD1-CB 4.07Å; F28-W136 HydrophobicContact CD1-CD2 4.35Å; F28-W136 AromaticContact CD1-CE3 3.83Å; F28-W136 HydrophobicContact CD1-CE3 3.83Å; F28-W136 HydrophobicContact CD1-CG 4.47Å; F28-W136 HydrophobicContact CD2-CB 3.68Å; F28-W136 HydrophobicContact CD2-CG 4.1Å; F28-W136 HydrophobicContact CE1-CB 3.93Å; F28-W136 HydrophobicContact CE1-CE3 4.5Å; F28-W136 HydrophobicContact CE2-CB 3.56Å; F28-W136 HydrophobicContact CE2-CG 4.45Å; F28-W136 HydrophobicContact CG-CB 3.94Å; F28-W136 HydrophobicContact CG-CD2 4.15Å; F28-W136 HydrophobicContact CG-CE3 4Å; F28-W136 HydrophobicContact CG-CG 4.12Å; F28-W136 HydrophobicContact CZ-CB 3.69Å; F28-V149 HydrophobicContact CD2-CG2 3.89Å; F28-V149 HydrophobicContact CE2-CG1 4.21Å; F28-V149 HydrophobicContact CE2-CG2 3.9Å
29	K	96	Very high	94.8	Very high	85 Å²	85	61.6 Å²	61.6	37%	0.37	32%	0.318	S	S	.	.	H	α-helix	trans	-58.9	-38.7	171.3	-72.1	170	-157.7	155	0	112.2	A25 D26 W27 K33 Y129	A25-K29 VanDerWaalsContact O-CG 3.29Å; A25-K29 WeakPolarHBondContact O-CG 3.26Å; A25-K29 PolarHBondContact O-N 3.38Å; A25-K29 VanDerWaalsContact O-N 3.1Å; D26-K29 IonicContact OD1-NZ 3.28Å; D26-K29 PolarHBondContact OD1-NZ 3.11Å; W27-K29 VanDerWaalsContact C-N 3.33Å; W27-K29 PolarHBondContact O-N 2.86Å; K29-K33 PolarHBondContact O-N 3.19Å; K29-Y129 HydrophobicContact CD-CE1 4.47Å; K29-Y129 HydrophobicContact CG-CD1 4.11Å; K29-Y129 HydrophobicContact CG-CE1 3.74Å
30	Q	96	Very high	95.2	Very high	94 Å²	94	58.8 Å²	58.8	44%	0.439	31%	0.313	S	S	.	.	H	α-helix	trans	-66.7	-42	177	-66	171.9	25.5	0	0	110.9	D26 W27 F28 K33 C34	D26-Q30 WeakPolarHBondContact O-CG 3.34Å; D26-Q30 PolarHBondContact O-N 3.48Å; W27-Q30 WeakPolarHBondContact O-CA 3.3Å; W27-Q30 WeakPolarHBondContact O-CB 3.49Å; W27-Q30 PolarHBondContact O-N 2.82Å; F28-Q30 VanDerWaalsContact C-N 3.27Å; F28-Q30 PolarHBondContact O-N 2.84Å; Q30-K33 WeakPolarHBondContact O-CB 3.41Å; Q30-K33 PolarHBondContact O-N 2.96Å; Q30-C34 PolarHBondContact O-N 3.25Å; Q30-C34 PolarHBondContact O-SG 2.95Å
31	E	97	Very high	95.6	Very high	10 Å²	10	60.6 Å²	60.6	5%	0.047	32%	0.32	C	S	.	.	H	α-helix	trans	-65.7	-39.5	177	-66.6	-61.9	118.5	0	0	112.4	S9 V10 W27 F28 K33 C34 Q35 M134	S9-E31 WeakPolarHBondContact CA-OE2 3.48Å; S9-E31 PolarHBondContact OG-OE2 3.35Å; V10-E31 HydrophobicContact CG1-CB 4.4Å; V10-E31 HydrophobicContact CG1-CG 3.96Å; V10-E31 WeakPolarHBondContact CG2-OE2 3.42Å; V10-E31 PolarHBondContact N-OE2 3.47Å; W27-E31 HydrophobicContact CD2-CG 4.37Å; W27-E31 HydrophobicContact CZ2-CG 3.86Å; W27-E31 PolarHBondContact O-N 2.86Å; F28-E31 PolarHBondContact O-N 2.7Å; E31-K33 VanDerWaalsContact C-N 3.33Å; E31-K33 PolarHBondContact O-N 2.87Å; E31-C34 WeakPolarHBondContact O-CB 3.2Å; E31-C34 PolarHBondContact O-N 3.43Å; E31-Q35 WeakPolarHBondContact O-CB 3.26Å; E31-Q35 PolarHBondContact O-N 3.47Å; E31-M134 HydrophobicContact CB-CE 4.02Å
32	I	97.2	Very high	95.9	Very high	10 Å²	10	58.9 Å²	58.9	5%	0.051	31%	0.311	C	S	.	.	H	α-helix	trans	-58.3	-46.7	171.3	-71.8	175.4	0	0	0	110.4	F28 C34 Q35 M36 Y129 V132	F28-I32 HydrophobicContact CD1-CD1 3.96Å; F28-I32 HydrophobicContact CE1-CD1 3.57Å; F28-I32 HydrophobicContact CE1-CG1 4.2Å; F28-I32 HydrophobicContact CE2-CG1 4.35Å; F28-I32 HydrophobicContact CZ-CD1 3.91Å; F28-I32 HydrophobicContact CZ-CG1 4.09Å; F28-I32 WeakPolarHBondContact O-CG1 3.37Å; F28-I32 PolarHBondContact O-N 2.91Å; I32-C34 VanDerWaalsContact C-N 3.35Å; I32-C34 PolarHBondContact O-N 2.88Å; I32-Q35 PolarHBondContact O-N 2.87Å; I32-Q35 VanDerWaalsContact O-N 3.13Å; I32-M36 HydrophobicContact CG2-CE 3.96Å; I32-M36 HydrophobicContact CG2-CG 4.42Å; I32-M36 HydrophobicContact CG2-SD 4.44Å; I32-M36 WeakPolarHBondContact O-CG 3.37Å; I32-M36 PolarHBondContact O-N 3.48Å; I32-Y129 HydrophobicContact CD1-CD1 4.01Å; I32-Y129 HydrophobicContact CD1-CG 4.34Å; I32-V132 HydrophobicContact CB-CG2 4.45Å; I32-V132 HydrophobicContact CG1-CG2 4.15Å; I32-V132 HydrophobicContact CG2-CG1 4.38Å; I32-V132 HydrophobicContact CG2-CG2 4.13Å
33	K	96.3	Very high	96.2	Very high	131 Å²	131	58.4 Å²	58.4	57%	0.57	31%	0.309	S	S	*	.	H	α-helix	trans	-60.8	-45.2	178.8	-175	-177.1	175.1	-173.6	0	111.3	K29 Q30 E31 Q35 M36 E37	K29-K33 PolarHBondContact O-N 3.19Å; Q30-K33 WeakPolarHBondContact O-CB 3.41Å; Q30-K33 PolarHBondContact O-N 2.96Å; E31-K33 VanDerWaalsContact C-N 3.33Å; E31-K33 PolarHBondContact O-N 2.87Å; K33-Q35 VanDerWaalsContact C-N 3.29Å; K33-Q35 PolarHBondContact O-N 2.95Å; K33-M36 PolarHBondContact O-N 2.98Å; K33-E37 VanDerWaalsContact CE-OE1 3.29Å; K33-E37 WeakPolarHBondContact CE-OE1 3.24Å; K33-E37 WeakPolarHBondContact O-CG 3.43Å; K33-E37 PolarHBondContact O-N 3.23Å
34	C	96.8	Very high	96.4	Very high	41 Å²	41	55.6 Å²	55.6	28%	0.277	29%	0.289	S	S	.	.	H	α-helix	trans	-58.3	-41.2	174	-71.4	0	0	0	0	111.7	Q30 E31 I32 E37 R38	Q30-C34 PolarHBondContact O-N 3.25Å; Q30-C34 PolarHBondContact O-SG 2.95Å; E31-C34 WeakPolarHBondContact O-CB 3.2Å; E31-C34 PolarHBondContact O-N 3.43Å; I32-C34 VanDerWaalsContact C-N 3.35Å; I32-C34 PolarHBondContact O-N 2.88Å; C34-E37 PolarHBondContact O-N 3.25Å; C34-R38 WeakPolarHBondContact O-CG 3.44Å; C34-R38 PolarHBondContact O-N 3.34Å; C34-R38 VanDerWaalsContact O-N 3.1Å
35	Q	97	Very high	96.4	Very high	13 Å²	13	58.9 Å²	58.9	6%	0.061	31%	0.311	C	S	.	.	H	α-helix	trans	-67.7	-39.4	177.3	-176.9	57.4	27.8	0	0	112.3	E31 I32 K33 E37 R38 G39 G40 F42 V132 M134	E31-Q35 WeakPolarHBondContact O-CB 3.26Å; E31-Q35 PolarHBondContact O-N 3.47Å; I32-Q35 PolarHBondContact O-N 2.87Å; I32-Q35 VanDerWaalsContact O-N 3.13Å; K33-Q35 VanDerWaalsContact C-N 3.29Å; K33-Q35 PolarHBondContact O-N 2.95Å; Q35-E37 VanDerWaalsContact C-N 3.34Å; Q35-E37 PolarHBondContact O-N 2.82Å; Q35-R38 PolarHBondContact O-N 3.2Å; Q35-G39 PolarHBondContact NE2-O 3.5Å; Q35-G39 PolarHBondContact O-N 3.21Å; Q35-G40 PolarHBondContact NE2-O 3.23Å; Q35-F42 HydrophobicContact CG-CB 4.23Å; Q35-V132 HydrophobicContact CB-CB 4.43Å; Q35-V132 HydrophobicContact CB-CG2 4.22Å; Q35-V132 HydrophobicContact CG-CB 3.85Å; Q35-V132 HydrophobicContact CG-CG2 4Å; Q35-M134 HydrophobicContact CB-SD 3.59Å; Q35-M134 VanDerWaalsContact CB-SD 3.59Å; Q35-M134 HydrophobicContact CG-SD 3.78Å
36	M	96.2	Very high	96.4	Very high	96 Å²	96	61.7 Å²	61.7	47%	0.473	32%	0.321	S	S	.	.	H	α-helix	trans	-61.7	-41.4	173.7	-71.2	-174.5	169.3	0	0	112.6	I32 K33 R38 G39 P130 V132	I32-M36 HydrophobicContact CG2-CE 3.96Å; I32-M36 HydrophobicContact CG2-CG 4.42Å; I32-M36 HydrophobicContact CG2-SD 4.44Å; I32-M36 WeakPolarHBondContact O-CG 3.37Å; I32-M36 PolarHBondContact O-N 3.48Å; K33-M36 PolarHBondContact O-N 2.98Å; M36-R38 VanDerWaalsContact C-N 3.32Å; M36-G39 PolarHBondContact O-N 3.01Å; M36-P130 HydrophobicContact CE-CB 3.23Å; M36-P130 HydrophobicContact CE-CG 3.66Å; M36-V132 HydrophobicContact CE-CG1 3.98Å; M36-V132 HydrophobicContact CG-CG1 3.65Å
37	E	96.7	Very high	96.3	Very high	145 Å²	145	57.8 Å²	57.8	68%	0.678	30%	0.3	S	S	*	.	H	α-helix	trans	-65.2	-35.9	177.6	-72.7	176.1	-172.6	0	0	111.9	K33 C34 Q35	K33-E37 VanDerWaalsContact CE-OE1 3.29Å; K33-E37 WeakPolarHBondContact CE-OE1 3.24Å; K33-E37 WeakPolarHBondContact O-CG 3.43Å; K33-E37 PolarHBondContact O-N 3.23Å; C34-E37 PolarHBondContact O-N 3.25Å; Q35-E37 VanDerWaalsContact C-N 3.34Å; Q35-E37 PolarHBondContact O-N 2.82Å
38	R	96	Very high	96.2	Very high	123 Å²	123	59 Å²	59	46%	0.464	31%	0.311	S	S	.	.	H	α-helix	trans	-70.6	-34	172.4	-69.2	170	-173.9	153.6	0.9	112.3	C34 Q35 M36	C34-R38 WeakPolarHBondContact O-CG 3.44Å; C34-R38 PolarHBondContact O-N 3.34Å; C34-R38 VanDerWaalsContact O-N 3.1Å; Q35-R38 PolarHBondContact O-N 3.2Å; M36-R38 VanDerWaalsContact C-N 3.32Å
39	G	95	Very high	96.1	Very high	40 Å²	40	60.3 Å²	60.3	41%	0.412	32%	0.322	S	S	.	.			trans	80.2	166.7	-175.8	0	0	0	0	0	113.3	Q35 M36	Q35-G39 PolarHBondContact NE2-O 3.5Å; Q35-G39 PolarHBondContact O-N 3.21Å; M36-G39 PolarHBondContact O-N 3.01Å
40	G	95.9	Very high	95.8	Very high	62 Å²	62	59.2 Å²	59.2	64%	0.639	32%	0.323	S	S	*	.	S	Bend	trans	74.9	177.9	-175.9	0	0	0	0	0	113.7	Q35	Q35-G40 PolarHBondContact NE2-O 3.23Å
41	L	97.6	Very high	95.3	Very high	69 Å²	69	58.3 Å²	58.3	36%	0.361	32%	0.321	S	S	.	.			trans	-85.6	144.3	173.2	-61.8	177.9	0	0	0	109.6	Y131 V132	L41-Y131 HydrophobicContact CD1-CE1 4.34Å; L41-Y131 HydrophobicContact CD2-CD1 4.16Å; L41-Y131 HydrophobicContact CD2-CE1 3.57Å; L41-V132 WeakPolarHBondContact CA-O 3.49Å
42	F	98.1	Very high	94.7	Very high	1 Å²	1	61.8 Å²	61.8	0%	0.004	35%	0.346	C	S	.	.			trans	-60.3	141.1	178.5	179	-114.5	0	0	0	111.4	V10 L11 Q35 D44 R69 V132 M134 V149 D151	V10-F42 HydrophobicContact CB-CZ 4.3Å; V10-F42 HydrophobicContact CG2-CE2 3.6Å; V10-F42 HydrophobicContact CG2-CZ 3.79Å; L11-F42 HydrophobicContact CD2-CD2 4.48Å; L11-F42 HydrophobicContact CD2-CE2 3.71Å; Q35-F42 HydrophobicContact CG-CB 4.23Å; F42-D44 HydrophobicContact CE1-CB 3.85Å; F42-D44 HydrophobicContact CZ-CB 4.27Å; F42-R69 PolarHBondContact O-NH1 2.92Å; F42-R69 PolarHBondContact O-NH2 3.22Å; F42-V132 PolarHBondContact N-O 3.23Å; F42-M134 HydrophobicContact CB-CB 4.5Å; F42-M134 HydrophobicContact CB-CG 3.21Å; F42-M134 HydrophobicContact CB-SD 4.02Å; F42-M134 HydrophobicContact CD1-CG 3.59Å; F42-M134 HydrophobicContact CD2-CE 4.45Å; F42-M134 HydrophobicContact CD2-CG 4.16Å; F42-M134 HydrophobicContact CD2-SD 4.24Å; F42-M134 HydrophobicContact CE1-CG 4.47Å; F42-M134 HydrophobicContact CG-CG 3.41Å; F42-M134 VanDerWaalsContact CG-CG 3.41Å; F42-M134 HydrophobicContact CG-SD 4.07Å; F42-V149 HydrophobicContact CE1-CG1 4.11Å; F42-D151 HydrophobicContact CD1-CB 3.73Å; F42-D151 HydrophobicContact CE1-CB 4.34Å; F42-D151 WeakPolarHBondContact O-CB 3.36Å
43	E	97.8	Very high	94.3	Very high	123 Å²	123	61.8 Å²	61.8	58%	0.575	35%	0.347	S	S	*	.			trans	-126.7	117.2	172.7	-65.7	-160.1	-161.3	0	0	108	P45 R153	E43-P45 VanDerWaalsContact O-CD 3.31Å; E43-P45 WeakPolarHBondContact O-CD 3.34Å; E43-R153 VanDerWaalsContact CA-NH2 3.34Å; E43-R153 IonicContact OE1-NH1 3.78Å; E43-R153 IonicContact OE2-CZ 3.7Å; E43-R153 IonicContact OE2-NH1 3.45Å; E43-R153 PolarHBondContact OE2-NH1 3.21Å; E43-R153 IonicContact OE2-NH2 3.41Å
44	D	97	Very high	93.9	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.016	32%	0.32	C	S	.	.			trans	-74.6	115.8	-173.4	-168.3	-18.7	0	0	0	111.6	F42 F46 M47 D151 K183	F42-D44 HydrophobicContact CE1-CB 3.85Å; F42-D44 HydrophobicContact CZ-CB 4.27Å; D44-F46 VanDerWaalsContact C-N 3.26Å; D44-F46 PolarHBondContact O-N 3.02Å; D44-F46 PolarHBondContact OD1-N 3.36Å; D44-M47 HydrophobicContact CB-CB 4.48Å; D44-M47 CarbonylContact O-C 3.57Å; D44-M47 PolarHBondContact OD1-N 3.48Å; D44-D151 HydrophobicContact CB-CB 4.34Å; D44-D151 VanDerWaalsContact CB-OD2 3.28Å; D44-D151 WeakPolarHBondContact CB-OD2 3.28Å; D44-D151 PolarHBondContact N-OD2 2.85Å; D44-K183 IonicContact OD1-NZ 2.72Å; D44-K183 PolarHBondContact OD1-NZ 3.35Å; D44-K183 WeakPolarHBondContact OD2-CD 3.5Å; D44-K183 WeakPolarHBondContact OD2-CE 3.2Å; D44-K183 IonicContact OD2-NZ 2.87Å; D44-K183 PolarHBondContact OD2-NZ 3.37Å
45	P	95.2	Very high	93	Very high	69 Å²	69	57.6 Å²	57.6	45%	0.448	32%	0.324	S	S	.	.	S	Bend	trans	-73.3	-18.6	179.8	29.2	-33.1	0	0	0	113.1	L11 E43	L11-P45 HydrophobicContact CD2-CG 4.08Å; E43-P45 VanDerWaalsContact O-CD 3.31Å; E43-P45 WeakPolarHBondContact O-CD 3.34Å
46	F	94.2	Very high	91.3	Very high	72 Å²	72	60 Å²	60	32%	0.316	34%	0.342	S	S	.	.	S	Bend	trans	-96.6	-12.6	-177.9	-61.9	-74.7	0	0	0	113.3	V10 V12 Q13 R14 D44	V10-F46 WeakPolarHBondContact O-CE2 3.19Å; V12-F46 VanDerWaalsContact C-CZ 3.46Å; V12-F46 WeakPolarHBondContact O-CZ 3.18Å; Q13-F46 WeakPolarHBondContact O-CE2 3.25Å; R14-F46 HydrophobicContact CB-CB 4.34Å; R14-F46 HydrophobicContact CB-CD1 3.93Å; R14-F46 HydrophobicContact CB-CD2 4.27Å; R14-F46 HydrophobicContact CB-CE1 4.33Å; R14-F46 HydrophobicContact CB-CG 3.91Å; R14-F46 HydrophobicContact CG-CB 4.07Å; R14-F46 HydrophobicContact CG-CD1 4.43Å; R14-F46 HydrophobicContact CG-CG 4.19Å; D44-F46 VanDerWaalsContact C-N 3.26Å; D44-F46 PolarHBondContact O-N 3.02Å; D44-F46 PolarHBondContact OD1-N 3.36Å
47	M	93.5	Very high	89.3	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.005	35%	0.35	C	S	.	.	S	Bend	trans	-139.3	65.3	176.8	-163.2	74	172.6	0	0	109.8	D44 T53 A182 K183 Y188	D44-M47 HydrophobicContact CB-CB 4.48Å; D44-M47 CarbonylContact O-C 3.57Å; D44-M47 PolarHBondContact OD1-N 3.48Å; M47-T53 HydrophobicContact CG-CG2 4.41Å; M47-T53 HydrophobicContact SD-CG2 4.02Å; M47-A182 HydrophobicContact CE-CB 3.84Å; M47-K183 HydrophobicContact CB-CB 4.21Å; M47-K183 HydrophobicContact CB-CD 4.11Å; M47-K183 HydrophobicContact CB-CG 4.25Å; M47-K183 HydrophobicContact CG-CB 4.19Å; M47-K183 HydrophobicContact SD-CB 4.09Å; M47-Y188 HydrophobicContact CE-CD2 3.63Å; M47-Y188 HydrophobicContact CE-CE2 3.66Å
48	P	93.8	Very high	86.8	Confident	51 Å²	51	57.6 Å²	57.6	33%	0.331	36%	0.36	S	S	.	.			trans	-60.5	149.1	-178	25.7	-34.6	0	0	0	111.7	T50 T53	P48-T50 HydrophobicContact CB-CG2 4.37Å; P48-T50 PolarHBondContact O-N 2.95Å; P48-T53 HydrophobicContact CG-CG2 3.83Å; P48-T53 WeakPolarHBondContact O-CG2 3.29Å; P48-T53 PolarHBondContact O-OG1 3.14Å; P48-T53 VanDerWaalsContact O-OG1 3.07Å
49	A	93.9	Very high	84.7	Confident	28 Å²	28	54.7 Å²	54.7	23%	0.231	37%	0.369	C	S	.	.	S	Bend	trans	-75.1	63.1	180	0	0	0	0	0	111.9	W67 R153	A49-W67 HydrophobicContact CB-CB 3.68Å; A49-W67 HydrophobicContact CB-CD2 3.69Å; A49-W67 HydrophobicContact CB-CE3 3.88Å; A49-W67 HydrophobicContact CB-CG 3.62Å; A49-R153 HydrophobicContact CB-CB 4.32Å
50	T	90.9	Very high	82.1	Confident	61 Å²	61	58.7 Å²	58.7	37%	0.374	39%	0.391	S	S	.	.	S	Bend	trans	-136.5	155.1	-175.1	58	0	0	0	0	110.9	P48 S52 T53	P48-T50 HydrophobicContact CB-CG2 4.37Å; P48-T50 PolarHBondContact O-N 2.95Å; T50-S52 PolarHBondContact O-N 2.81Å; T50-S52 PolarHBondContact OG1-OG 2.84Å; T50-T53 PolarHBondContact O-N 3.47Å; T50-T53 VanDerWaalsContact O-N 3.09Å; T50-T53 PolarHBondContact O-OG1 3.02Å
51	D	85	Confident	80	Confident	75 Å²	75	58.3 Å²	58.3	40%	0.401	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-60.7	-21.4	-179	-64.8	-13	0	0	0	113.3	T53 I54 K55	D51-T53 VanDerWaalsContact C-N 3.27Å; D51-T53 PolarHBondContact O-N 3.37Å; D51-I54 WeakPolarHBondContact O-CB 3.36Å; D51-I54 PolarHBondContact O-N 3.49Å; D51-K55 PolarHBondContact O-N 2.7Å; D51-K55 VanDerWaalsContact O-N 3.11Å
52	S	83.7	Confident	77.8	Confident	83 Å²	83	65 Å²	65	58%	0.58	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-65.8	-23.5	176.3	60.3	0	0	0	0	114.2	T50 I54	T50-S52 PolarHBondContact O-N 2.81Å; T50-S52 PolarHBondContact OG1-OG 2.84Å; S52-I54 VanDerWaalsContact C-N 3.27Å
53	T	88.9	Confident	76	Confident	11 Å²	11	69.2 Å²	69.2	7%	0.067	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-82.5	-10.9	173.5	59	0	0	0	0	112.3	M47 P48 T50 D51 W67 S187 Y188	M47-T53 HydrophobicContact CG-CG2 4.41Å; M47-T53 HydrophobicContact SD-CG2 4.02Å; P48-T53 HydrophobicContact CG-CG2 3.83Å; P48-T53 WeakPolarHBondContact O-CG2 3.29Å; P48-T53 PolarHBondContact O-OG1 3.14Å; P48-T53 VanDerWaalsContact O-OG1 3.07Å; T50-T53 PolarHBondContact O-N 3.47Å; T50-T53 VanDerWaalsContact O-N 3.09Å; T50-T53 PolarHBondContact O-OG1 3.02Å; D51-T53 VanDerWaalsContact C-N 3.27Å; D51-T53 PolarHBondContact O-N 3.37Å; T53-W67 WeakPolarHBondContact OG1-CH2 3.28Å; T53-W67 VanDerWaalsContact OG1-CZ2 3.28Å; T53-W67 WeakPolarHBondContact OG1-CZ2 3.41Å; T53-S187 WeakPolarHBondContact O-CA 3.27Å; T53-S187 VanDerWaalsContact O-CB 3.3Å; T53-S187 WeakPolarHBondContact O-CB 3.35Å; T53-Y188 PolarHBondContact O-N 3.32Å
54	I	88.2	Confident	75	Confident	3 Å²	3	67.7 Å²	67.7	2%	0.015	44%	0.436	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-48.3	176	-60.2	173.5	0	0	0	111	D51 S52 Y65 W67 P155 F163 Y188 D189	D51-I54 WeakPolarHBondContact O-CB 3.36Å; D51-I54 PolarHBondContact O-N 3.49Å; S52-I54 VanDerWaalsContact C-N 3.27Å; I54-Y65 HydrophobicContact CD1-CD1 4.14Å; I54-Y65 HydrophobicContact CD1-CD2 3.33Å; I54-Y65 HydrophobicContact CD1-CE1 4.47Å; I54-Y65 HydrophobicContact CD1-CE2 3.73Å; I54-Y65 HydrophobicContact CD1-CG 3.55Å; I54-Y65 HydrophobicContact CG2-CE2 4.12Å; I54-W67 HydrophobicContact CD1-CZ2 3.84Å; I54-W67 HydrophobicContact CG1-CH2 4.48Å; I54-W67 HydrophobicContact CG1-CZ2 3.87Å; I54-P155 HydrophobicContact CD1-CB 3.97Å; I54-P155 HydrophobicContact CD1-CG 4.03Å; I54-P155 HydrophobicContact CG1-CG 4.48Å; I54-F163 HydrophobicContact CD1-CE2 4.27Å; I54-F163 HydrophobicContact CD1-CZ 4.42Å; I54-F163 HydrophobicContact CG1-CE2 4.26Å; I54-F163 HydrophobicContact CG1-CZ 4.5Å; I54-F163 HydrophobicContact CG2-CE2 4.24Å; I54-F163 HydrophobicContact CG2-CZ 3.7Å; I54-Y188 HydrophobicContact CG1-CD2 4.17Å; I54-D189 VanDerWaalsContact O-CB 3.29Å; I54-D189 WeakPolarHBondContact O-CB 3.45Å; I54-D189 PolarHBondContact O-N 2.87Å
55	K	78	Confident	74.6	Confident	81 Å²	81	68.7 Å²	68.7	35%	0.352	44%	0.439	S	S	.	.			trans	-121	128.6	-178.5	-67.2	-176.2	-175.6	171.9	0	112	D51 G57	D51-K55 PolarHBondContact O-N 2.7Å; D51-K55 VanDerWaalsContact O-N 3.11Å; K55-G57 PolarHBondContact O-N 2.75Å; K55-G57 VanDerWaalsContact O-N 3.14Å
56	S	61.7	Low	74.5	Confident	64 Å²	64	74.3 Å²	74.3	45%	0.448	45%	0.452	S	S	.	.	S	Bend	trans	-83.3	78.6	173	-64.3	0	0	0	0	110.1	S187 H426	S56-S187 PolarHBondContact OG-OG 3.15Å; S56-H426 PolarHBondContact OG-CE1 3.18Å; S56-H426 PolarHBondContact OG-NE2 3.49Å
57	G	54.4	Low	74.6	Confident	62 Å²	62	72.5 Å²	72.5	64%	0.639	44%	0.443	S	S	*	.	S	Bend	trans	156.1	160.6	172.5	0	0	0	0	0	116.6	K55 G59	K55-G57 PolarHBondContact O-N 2.75Å; K55-G57 VanDerWaalsContact O-N 3.14Å; G57-G59 PolarHBondContact O-N 2.76Å
58	S	44.4	Very low	74.7	Confident	127 Å²	127	74.3 Å²	74.3	89%	0.888	45%	0.453	S	S	*	.			trans	-76.6	27.7	-176.7	53	0	0	0	0	115	S60	S58-S60 PolarHBondContact O-N 2.73Å
59	G	50.8	Low	75	Confident	63 Å²	63	72.8 Å²	72.8	65%	0.649	44%	0.44	S	S	*	.			trans	-66.7	103.9	177.9	0	0	0	0	0	111.5	G57 G61	G57-G59 PolarHBondContact O-N 2.76Å; G59-G61 PolarHBondContact O-N 2.95Å
60	S	40.9	Very low	75.1	Confident	123 Å²	123	71.5 Å²	71.5	86%	0.86	43%	0.429	S	S	*	.			trans	-69	29.7	-170.9	52.1	0	0	0	0	116.6	S58	S58-S60 PolarHBondContact O-N 2.73Å
61	G	52	Low	75.4	Confident	55 Å²	55	71.8 Å²	71.8	57%	0.567	43%	0.431	S	S	*	.			trans	-88.6	109	173.1	0	0	0	0	0	111.4	G59 Q63	G59-G61 PolarHBondContact O-N 2.95Å; G61-Q63 PolarHBondContact O-N 2.89Å
62	K	51.5	Low	76	Confident	210 Å²	210	73.9 Å²	73.9	91%	0.913	44%	0.438	S	S	*	.			trans	-61.2	64.2	176.9	-66	176.4	177	175.9	0	113.9	S64	K62-S64 PolarHBondContact O-N 3.22Å
63	Q	60.1	Low	76.6	Confident	89 Å²	89	72.3 Å²	72.3	42%	0.416	42%	0.423	S	S	.	.			trans	-88.9	87.4	159.7	-81.4	173.5	-29	0	0	107.2	G61 Y65	G61-Q63 PolarHBondContact O-N 2.89Å; Q63-Y65 HydrophobicContact CB-CE2 4.05Å; Q63-Y65 WeakPolarHBondContact O-CD2 3.18Å; Q63-Y65 PolarHBondContact O-N 3.43Å
64	S	76.5	Confident	76.8	Confident	91 Å²	91	72.4 Å²	72.4	64%	0.636	42%	0.424	S	S	*	.			trans	-77.1	110.5	174.9	74.4	0	0	0	0	109.2	K62	K62-S64 PolarHBondContact O-N 3.22Å
65	Y	88.9	Confident	77.1	Confident	23 Å²	23	83 Å²	83	9%	0.09	46%	0.464	C	S	.	.			trans	-79.7	145.7	169.2	-60.8	-87.3	0	0	0	109.2	I54 Q63 P155 V162 F163	I54-Y65 HydrophobicContact CD1-CD1 4.14Å; I54-Y65 HydrophobicContact CD1-CD2 3.33Å; I54-Y65 HydrophobicContact CD1-CE1 4.47Å; I54-Y65 HydrophobicContact CD1-CE2 3.73Å; I54-Y65 HydrophobicContact CD1-CG 3.55Å; I54-Y65 HydrophobicContact CG2-CE2 4.12Å; Q63-Y65 HydrophobicContact CB-CE2 4.05Å; Q63-Y65 WeakPolarHBondContact O-CD2 3.18Å; Q63-Y65 PolarHBondContact O-N 3.43Å; Y65-P155 HydrophobicContact CD1-CB 4.23Å; Y65-V162 HydrophobicContact CD1-CG2 4.09Å; Y65-V162 HydrophobicContact CE1-CB 4.26Å; Y65-V162 HydrophobicContact CE1-CG1 3.99Å; Y65-V162 HydrophobicContact CE1-CG2 4.17Å; Y65-F163 HydrophobicContact CE1-CZ 4.43Å
66	R	93.4	Very high	77.9	Confident	188 Å²	188	87.6 Å²	87.6	71%	0.709	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	129.8	164.5	-72.5	-171.6	-179.4	-177	1	108.4	L68 T156	R66-L68 HydrophobicContact CB-CG 4.49Å; R66-T156 PolarHBondContact N-O 2.94Å; R66-T156 WeakPolarHBondContact O-CA 3.32Å; R66-T156 WeakPolarHBondContact O-CB 3.4Å; R66-T156 PolarHBondContact O-N 3.1Å; R66-T156 PolarHBondContact O-OG1 3.08Å
67	W	95.5	Very high	79.6	Confident	34 Å²	34	85.7 Å²	85.7	13%	0.129	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	111.9	177.9	-70.2	78.9	0	0	0	109.1	A49 T53 I54 R153 L154 P155 Y188	A49-W67 HydrophobicContact CB-CB 3.68Å; A49-W67 HydrophobicContact CB-CD2 3.69Å; A49-W67 HydrophobicContact CB-CE3 3.88Å; A49-W67 HydrophobicContact CB-CG 3.62Å; T53-W67 WeakPolarHBondContact OG1-CH2 3.28Å; T53-W67 VanDerWaalsContact OG1-CZ2 3.28Å; T53-W67 WeakPolarHBondContact OG1-CZ2 3.41Å; I54-W67 HydrophobicContact CD1-CZ2 3.84Å; I54-W67 HydrophobicContact CG1-CH2 4.48Å; I54-W67 HydrophobicContact CG1-CZ2 3.87Å; W67-R153 HydrophobicContact CB-CB 4.32Å; W67-R153 HydrophobicContact CE3-CB 4.19Å; W67-R153 VanDerWaalsContact CE3-O 3.28Å; W67-R153 WeakPolarHBondContact CZ3-O 3.43Å; W67-L154 WeakPolarHBondContact CA-O 3.37Å; W67-P155 HydrophobicContact CD2-CG 4.3Å; W67-P155 HydrophobicContact CE3-CG 4.08Å; W67-P155 HydrophobicContact CH2-CG 3.69Å; W67-P155 HydrophobicContact CZ2-CG 3.89Å; W67-P155 HydrophobicContact CZ3-CG 3.77Å; W67-Y188 HydrophobicContact CH2-CE2 4.03Å
68	L	97.1	Very high	81.6	Confident	39 Å²	39	89.3 Å²	89.3	20%	0.204	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	144.8	-176.1	-63	177.2	0	0	0	109.7	R66 E72 L73 L154 T156	R66-L68 HydrophobicContact CB-CG 4.49Å; L68-E72 HydrophobicContact CB-CB 4.41Å; L68-L73 HydrophobicContact CB-CD1 4.34Å; L68-L73 HydrophobicContact CB-CD2 4.06Å; L68-L73 HydrophobicContact CB-CG 4.07Å; L68-L73 HydrophobicContact CD1-CD2 3.66Å; L68-L154 PolarHBondContact N-O 3.35Å; L68-L154 PolarHBondContact O-N 2.86Å; L68-T156 HydrophobicContact CB-CG2 4.13Å; L68-T156 HydrophobicContact CD1-CG2 4.34Å; L68-T156 HydrophobicContact CG-CG2 4.44Å
69	R	98.1	Very high	84	Confident	19 Å²	19	83.7 Å²	83.7	7%	0.072	42%	0.42	C	S	.	.			trans	-80.6	153.2	172	-58.7	-174.1	-176.6	-101.3	3	110.1	F42 V71 E72 L73 D152 R153	F42-R69 PolarHBondContact O-NH1 2.92Å; F42-R69 PolarHBondContact O-NH2 3.22Å; R69-V71 HydrophobicContact CB-CG2 3.87Å; R69-V71 PolarHBondContact O-N 3.31Å; R69-V71 VanDerWaalsContact O-N 3.13Å; R69-E72 HydrophobicContact CB-CG 4.43Å; R69-E72 WeakPolarHBondContact CB-OE2 3.46Å; R69-E72 PolarHBondContact N-OE2 2.96Å; R69-E72 WeakPolarHBondContact O-CA 3.44Å; R69-E72 WeakPolarHBondContact O-CB 3.39Å; R69-E72 PolarHBondContact O-N 3.04Å; R69-L73 PolarHBondContact O-N 3.46Å; R69-D152 WeakPolarHBondContact CD-OD1 3.29Å; R69-D152 WeakPolarHBondContact CG-OD1 3.42Å; R69-D152 IonicContact CZ-OD1 3.25Å; R69-D152 IonicContact NE-OD1 3.4Å; R69-D152 IonicContact NH1-OD1 2.65Å; R69-D152 PolarHBondContact NH1-OD1 3.13Å; R69-R153 HydrophobicContact CG-CG 3.78Å
70	P	98	Very high	86.1	Confident	0 Å²	0	83 Å²	83	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-49.3	-37.2	173.7	-35.3	38.3	0	0	0	114.5	E72 L73 S74 P77 F123 D152 L154 F172	P70-E72 PolarHBondContact O-N 3.37Å; P70-L73 PolarHBondContact O-N 3.24Å; P70-S74 PolarHBondContact O-N 2.79Å; P70-P77 HydrophobicContact CB-CB 3.72Å; P70-F123 HydrophobicContact CB-CD1 4.31Å; P70-F123 HydrophobicContact CB-CE1 3.55Å; P70-F123 HydrophobicContact CB-CE2 4.4Å; P70-F123 HydrophobicContact CB-CZ 3.62Å; P70-F123 HydrophobicContact CG-CE1 3.6Å; P70-F123 HydrophobicContact CG-CZ 3.58Å; P70-D152 WeakPolarHBondContact CD-O 3.38Å; P70-D152 HydrophobicContact CG-CB 4.36Å; P70-L154 HydrophobicContact CG-CD1 4.28Å; P70-F172 HydrophobicContact CB-CD1 3.88Å; P70-F172 HydrophobicContact CB-CD2 3.72Å; P70-F172 HydrophobicContact CB-CE1 3.93Å; P70-F172 HydrophobicContact CB-CE2 3.78Å; P70-F172 HydrophobicContact CB-CG 3.77Å; P70-F172 HydrophobicContact CB-CZ 3.89Å; P70-F172 HydrophobicContact CG-CB 4.1Å; P70-F172 HydrophobicContact CG-CD1 3.65Å; P70-F172 HydrophobicContact CG-CD2 4.19Å; P70-F172 HydrophobicContact CG-CE1 4.08Å; P70-F172 HydrophobicContact CG-CG 3.71Å
71	V	96.3	Very high	88.3	Confident	68 Å²	68	77.8 Å²	77.8	41%	0.412	37%	0.368	S	S	.	.	H	α-helix	trans	-65.6	-16.5	176.1	-62.7	0	0	0	0	114.1	R69 P77 F123 Y131	R69-V71 HydrophobicContact CB-CG2 3.87Å; R69-V71 PolarHBondContact O-N 3.31Å; R69-V71 VanDerWaalsContact O-N 3.13Å; V71-P77 HydrophobicContact CB-CG 4.47Å; V71-P77 HydrophobicContact CG1-CG 3.78Å; V71-F123 HydrophobicContact CG1-CD1 4.37Å; V71-Y131 HydrophobicContact CG1-CE1 4.39Å
72	E	97	Very high	89.9	Confident	119 Å²	119	82.8 Å²	82.8	56%	0.556	38%	0.382	S	S	*	.	H	α-helix	trans	-94.1	-16.9	174.3	-57.9	174.2	90.1	0	0	112.1	L68 R69 P70	L68-E72 HydrophobicContact CB-CB 4.41Å; R69-E72 HydrophobicContact CB-CG 4.43Å; R69-E72 WeakPolarHBondContact CB-OE2 3.46Å; R69-E72 PolarHBondContact N-OE2 2.96Å; R69-E72 WeakPolarHBondContact O-CA 3.44Å; R69-E72 WeakPolarHBondContact O-CB 3.39Å; R69-E72 PolarHBondContact O-N 3.04Å; P70-E72 PolarHBondContact O-N 3.37Å
73	L	95.9	Very high	91.6	Very high	50 Å²	50	74.9 Å²	74.9	26%	0.262	36%	0.36	S	S	.	.	H	α-helix	trans	-100.5	-39.3	-175.8	-65.7	172.8	0	0	0	112.7	L68 R69 P70 T156 G159 L161 F172	L68-L73 HydrophobicContact CB-CD1 4.34Å; L68-L73 HydrophobicContact CB-CD2 4.06Å; L68-L73 HydrophobicContact CB-CG 4.07Å; L68-L73 HydrophobicContact CD1-CD2 3.66Å; R69-L73 PolarHBondContact O-N 3.46Å; P70-L73 PolarHBondContact O-N 3.24Å; L73-T156 HydrophobicContact CD1-CG2 3.93Å; L73-T156 HydrophobicContact CD2-CG2 4.06Å; L73-G159 WeakPolarHBondContact CD2-O 3.25Å; L73-L161 HydrophobicContact CD1-CD2 4.05Å; L73-L161 HydrophobicContact CD1-CG 4.49Å; L73-F172 HydrophobicContact CB-CZ 4.38Å; L73-F172 HydrophobicContact CD1-CE1 4.19Å
74	S	95	Very high	92.8	Very high	13 Å²	13	73.1 Å²	73.1	9%	0.091	36%	0.355	C	S	.	.			trans	-121.7	147.4	-179.8	169.5	0	0	0	0	110.9	P70 Y76 N170	P70-S74 PolarHBondContact O-N 2.79Å; S74-Y76 VanDerWaalsContact C-N 3.3Å; S74-Y76 PolarHBondContact OG-N 3.39Å; S74-N170 PolarHBondContact OG-OD1 2.68Å
75	R	93.6	Very high	93.3	Very high	225 Å²	225	70.4 Å²	70.4	85%	0.849	34%	0.336	S	S	*	.	S	Bend	trans	-70.6	-27.1	171.9	-68	-175.8	179.6	-179.2	0.8	112.8
76	Y	95.1	Very high	92.9	Very high	178 Å²	178	71.5 Å²	71.5	70%	0.698	34%	0.34	S	S	*	.	S	Bend	trans	-137.9	63.1	-175.3	-57.3	-71.4	0	0	0	109.9	S74 R78	S74-Y76 VanDerWaalsContact C-N 3.3Å; S74-Y76 PolarHBondContact OG-N 3.39Å; Y76-R78 PolarHBondContact O-N 2.88Å
77	P	96.7	Very high	92.4	Very high	24 Å²	24	64.9 Å²	64.9	16%	0.156	32%	0.316	C	S	.	.			trans	-63.2	134.2	-179.4	29.7	-35.5	0	0	0	109.8	P70 V71 F123 F172	P70-P77 HydrophobicContact CB-CB 3.72Å; V71-P77 HydrophobicContact CB-CG 4.47Å; V71-P77 HydrophobicContact CG1-CG 3.78Å; P77-F123 HydrophobicContact CB-CD1 4.37Å; P77-F123 HydrophobicContact CB-CD2 3.89Å; P77-F123 HydrophobicContact CB-CE2 4.16Å; P77-F123 HydrophobicContact CB-CG 4.02Å; P77-F123 HydrophobicContact CG-CB 4.11Å; P77-F123 HydrophobicContact CG-CD1 4.37Å; P77-F123 HydrophobicContact CG-CD2 4.35Å; P77-F123 HydrophobicContact CG-CG 4.02Å; P77-F123 WeakPolarHBondContact O-CD2 3.36Å; P77-F172 HydrophobicContact CB-CD2 4.06Å; P77-F172 HydrophobicContact CB-CE2 3.8Å
78	R	96.1	Very high	92	Very high	138 Å²	138	64 Å²	64	52%	0.521	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-121.2	142.3	175.7	-64.4	-169.7	178.5	-171.8	1.8	108.6	Y76 A81 F123 N170 E171 F172	Y76-R78 PolarHBondContact O-N 2.88Å; R78-A81 HydrophobicContact CB-CB 4.27Å; R78-A81 PolarHBondContact NH1-O 2.89Å; R78-F123 VanDerWaalsContact C-CE2 3.41Å; R78-F123 WeakPolarHBondContact O-CE2 3.4Å; R78-N170 PolarHBondContact N-O 2.7Å; R78-N170 VanDerWaalsContact O-O 3.1Å; R78-E171 WeakPolarHBondContact O-CA 2.95Å; R78-F172 PolarHBondContact O-N 3.48Å; R78-F172 VanDerWaalsContact O-N 3.17Å
79	F	96.4	Very high	91.5	Very high	9 Å²	9	62.2 Å²	62.2	4%	0.039	31%	0.305	C	S	.	.	S	Bend	trans	-68.2	-55.7	172.9	-175.2	-112.5	0	0	0	108.8	V117 Q121 F123 F135 F137 E171 F172 W173 L176	F79-V117 HydrophobicContact CE1-CG1 3.65Å; F79-V117 HydrophobicContact CZ-CG1 3.76Å; F79-Q121 WeakPolarHBondContact CB-O 3.47Å; F79-Q121 HydrophobicContact CD1-CB 3.69Å; F79-Q121 HydrophobicContact CD2-CB 4.41Å; F79-Q121 HydrophobicContact CE1-CB 3.77Å; F79-Q121 HydrophobicContact CE1-CG 4.39Å; F79-Q121 HydrophobicContact CE2-CB 4.47Å; F79-Q121 HydrophobicContact CG-CB 4.03Å; F79-Q121 HydrophobicContact CZ-CB 4.16Å; F79-F123 HydrophobicContact CB-CE2 4.26Å; F79-F135 HydrophobicContact CB-CE1 4.36Å; F79-F135 AromaticContact CD2-CD1 3.44Å; F79-F135 HydrophobicContact CD2-CD1 3.44Å; F79-F135 VanDerWaalsContact CD2-CD1 3.44Å; F79-F135 AromaticContact CD2-CE1 3.41Å; F79-F135 HydrophobicContact CD2-CE1 3.41Å; F79-F135 VanDerWaalsContact CD2-CE1 3.41Å; F79-F135 HydrophobicContact CD2-CG 4.49Å; F79-F135 HydrophobicContact CD2-CZ 4.45Å; F79-F135 AromaticContact CE2-CD1 3.44Å; F79-F135 HydrophobicContact CE2-CD1 3.44Å; F79-F135 VanDerWaalsContact CE2-CD1 3.44Å; F79-F135 AromaticContact CE2-CE1 3.94Å; F79-F135 HydrophobicContact CE2-CE1 3.94Å; F79-F135 HydrophobicContact CE2-CG 4.27Å; F79-F135 HydrophobicContact CG-CD1 4.36Å; F79-F135 HydrophobicContact CG-CE1 4.09Å; F79-F135 HydrophobicContact CZ-CD1 4.35Å; F79-F137 HydrophobicContact CE2-CE1 4.45Å; F79-F137 AromaticContact CE2-CZ 4Å; F79-F137 HydrophobicContact CE2-CZ 4Å; F79-F137 HydrophobicContact CZ-CE1 4Å; F79-F137 AromaticContact CZ-CZ 3.99Å; F79-F137 HydrophobicContact CZ-CZ 3.99Å; F79-E171 WeakPolarHBondContact O-CG 3.32Å; F79-F172 PolarHBondContact O-N 3.47Å; F79-W173 HydrophobicContact CD1-CB 4.21Å; F79-W173 HydrophobicContact CD2-CB 4.04Å; F79-W173 HydrophobicContact CE1-CB 3.96Å; F79-W173 HydrophobicContact CE2-CB 3.78Å; F79-W173 HydrophobicContact CG-CB 4.25Å; F79-W173 HydrophobicContact CZ-CB 3.75Å; F79-W173 VanDerWaalsContact O-CB 3.25Å; F79-W173 WeakPolarHBondContact O-CB 3.32Å; F79-W173 PolarHBondContact O-N 3.27Å; F79-L176 HydrophobicContact CD2-CD1 4.09Å; F79-L176 HydrophobicContact CE2-CD1 4.04Å
80	V	93.7	Very high	91.2	Very high	48 Å²	48	63.8 Å²	63.8	29%	0.291	31%	0.312	S	S	.	.	S	Bend	trans	-122.5	131.7	168.7	177.3	0	0	0	0	107.8	G83 V84 E171 W173	V80-G83 VanDerWaalsContact CG1-C 3.44Å; V80-G83 VanDerWaalsContact CG1-O 3.23Å; V80-G83 WeakPolarHBondContact CG1-O 3.39Å; V80-V84 HydrophobicContact CG1-CG2 4.06Å; V80-V84 HydrophobicContact CG2-CG2 4.27Å; V80-E171 WeakPolarHBondContact CA-OE1 3.45Å; V80-W173 HydrophobicContact CG2-CB 4.19Å; V80-W173 HydrophobicContact CG2-CG 4.06Å
81	A	88	Confident	90.8	Very high	14 Å²	14	64.7 Å²	64.7	12%	0.116	32%	0.316	C	S	.	.	S	Bend	trans	-93.7	-51.5	-170	0	0	0	0	0	114.2	R78 D168 E171	R78-A81 HydrophobicContact CB-CB 4.27Å; R78-A81 PolarHBondContact NH1-O 2.89Å; A81-D168 WeakPolarHBondContact CB-OD2 3.25Å; A81-E171 HydrophobicContact CB-CB 3.95Å; A81-E171 HydrophobicContact CB-CG 4.26Å; A81-E171 PolarHBondContact N-OE1 3.44Å
82	D	84	Confident	90.5	Very high	160 Å²	160	62.5 Å²	62.5	86%	0.856	31%	0.308	S	S	*	.	S	Bend	trans	-141.7	57.4	-179.3	-166.2	19.6	0	0	0	111.9
83	G	87.3	Confident	90.2	Very high	44 Å²	44	60.5 Å²	60.5	45%	0.454	30%	0.298	S	S	.	.	S	Bend	trans	75.2	176.6	-170.3	0	0	0	0	0	112	V80	V80-G83 VanDerWaalsContact CG1-C 3.44Å; V80-G83 VanDerWaalsContact CG1-O 3.23Å; V80-G83 WeakPolarHBondContact CG1-O 3.39Å
84	V	86.4	Confident	89.8	Confident	52 Å²	52	58.2 Å²	58.2	32%	0.315	29%	0.286	S	S	.	.			trans	-95.9	129.5	-178.1	176.4	0	0	0	0	108.3	V80 F113 W173	V80-V84 HydrophobicContact CG1-CG2 4.06Å; V80-V84 HydrophobicContact CG2-CG2 4.27Å; V84-F113 HydrophobicContact CB-CD1 4.43Å; V84-F113 HydrophobicContact CB-CE1 4.12Å; V84-F113 HydrophobicContact CB-CZ 4.25Å; V84-F113 HydrophobicContact CG1-CD1 4.06Å; V84-F113 HydrophobicContact CG1-CD2 3.9Å; V84-F113 HydrophobicContact CG1-CE1 3.74Å; V84-F113 HydrophobicContact CG1-CE2 3.56Å; V84-F113 HydrophobicContact CG1-CG 4.12Å; V84-F113 HydrophobicContact CG1-CZ 3.46Å; V84-F113 VanDerWaalsContact CG1-CZ 3.46Å; V84-F113 HydrophobicContact CG2-CD1 3.93Å; V84-F113 HydrophobicContact CG2-CE1 3.34Å; V84-F113 HydrophobicContact CG2-CZ 3.74Å; V84-W173 HydrophobicContact CG1-CZ2 4.04Å
85	S	86.2	Confident	89.4	Confident	33 Å²	33	58.5 Å²	58.5	23%	0.231	29%	0.291	C	S	.	.			trans	-134.1	151.6	178.6	-178.6	0	0	0	0	111.3	F87 D88	S85-F87 PolarHBondContact O-N 3.4Å; S85-F87 VanDerWaalsContact O-N 3.17Å; S85-F87 VanDerWaalsContact OG-CD2 3.24Å; S85-F87 WeakPolarHBondContact OG-CD2 3.36Å; S85-F87 PolarHBondContact OG-N 3.38Å; S85-D88 WeakPolarHBondContact CB-OD1 3.4Å; S85-D88 PolarHBondContact N-OD2 2.88Å; S85-D88 WeakPolarHBondContact O-CB 3.45Å; S85-D88 VanDerWaalsContact O-CG 3.24Å; S85-D88 PolarHBondContact O-N 2.82Å; S85-D88 VanDerWaalsContact O-N 3.11Å
86	R	81.4	Confident	89.2	Confident	47 Å²	47	47.8 Å²	47.8	18%	0.177	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-59.7	-23.9	170.2	62.4	-165.6	178.8	-69.5	-3.6	112.2	D88 I89 A104 S107 R283 E323	R86-D88 VanDerWaalsContact C-N 3.28Å; R86-D88 PolarHBondContact O-N 3.14Å; R86-I89 PolarHBondContact O-N 3.32Å; R86-A104 HydrophobicContact CB-CB 4.13Å; R86-S107 VanDerWaalsContact CA-OG 3.26Å; R86-S107 WeakPolarHBondContact CA-OG 3.48Å; R86-S107 WeakPolarHBondContact CB-OG 3.39Å; R86-S107 PolarHBondContact N-OG 3.25Å; R86-R283 PolarHBondContact O-NH1 3.02Å; R86-R283 PolarHBondContact O-NH2 3.49Å; R86-E323 IonicContact CZ-OE1 2.65Å; R86-E323 VanDerWaalsContact CZ-OE1 3.3Å; R86-E323 IonicContact CZ-OE2 3.77Å; R86-E323 IonicContact NE-OE1 2.86Å; R86-E323 PolarHBondContact NE-OE1 3.28Å; R86-E323 IonicContact NE-OE2 3.25Å; R86-E323 VanDerWaalsContact NH2-CD 3.28Å; R86-E323 IonicContact NH2-OE1 3.67Å; R86-E323 PolarHBondContact NH2-OE1 3.43Å; R86-E323 VanDerWaalsContact NH2-OE1 3.12Å; R86-E323 IonicContact NH2-OE2 3.18Å; R86-E323 PolarHBondContact NH2-OE2 2.82Å
87	F	83	Confident	89	Confident	48 Å²	48	40 Å²	40	21%	0.211	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-77.2	-11	178.8	-54.1	-55	0	0	0	114.2	S85 I89 D321	S85-F87 PolarHBondContact O-N 3.4Å; S85-F87 VanDerWaalsContact O-N 3.17Å; S85-F87 VanDerWaalsContact OG-CD2 3.24Å; S85-F87 WeakPolarHBondContact OG-CD2 3.36Å; S85-F87 PolarHBondContact OG-N 3.38Å; F87-I89 PolarHBondContact O-N 3.45Å; F87-D321 HydrophobicContact CD1-CB 3.76Å; F87-D321 HydrophobicContact CE1-CB 3.52Å; F87-D321 WeakPolarHBondContact CE1-OD1 3.49Å; F87-D321 WeakPolarHBondContact CE1-OD2 3.48Å; F87-D321 HydrophobicContact CZ-CB 4.22Å; F87-D321 WeakPolarHBondContact CZ-OD2 3.41Å
88	D	85.8	Confident	88.8	Confident	17 Å²	17	39 Å²	39	9%	0.091	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-75.1	0.7	173.7	-48.7	-13.4	0	0	0	111.9	S85 R86 H165 S166 E171 W173 S174	S85-D88 WeakPolarHBondContact CB-OD1 3.4Å; S85-D88 PolarHBondContact N-OD2 2.88Å; S85-D88 WeakPolarHBondContact O-CB 3.45Å; S85-D88 VanDerWaalsContact O-CG 3.24Å; S85-D88 PolarHBondContact O-N 2.82Å; S85-D88 VanDerWaalsContact O-N 3.11Å; R86-D88 VanDerWaalsContact C-N 3.28Å; R86-D88 PolarHBondContact O-N 3.14Å; D88-H165 CarbonylContact O-C 3.56Å; D88-S166 WeakPolarHBondContact CA-OG 3.42Å; D88-S166 VanDerWaalsContact O-CA 3.24Å; D88-S166 WeakPolarHBondContact O-CA 3.4Å; D88-S166 PolarHBondContact O-N 2.86Å; D88-E171 WeakPolarHBondContact CB-OE2 3.31Å; D88-W173 HydrophobicContact CB-CZ2 3.76Å; D88-W173 PolarHBondContact OD2-NE1 3.41Å; D88-W173 VanDerWaalsContact OD2-NE1 3.16Å; D88-S174 VanDerWaalsContact O-CB 3.28Å; D88-S174 WeakPolarHBondContact O-CB 3.44Å; D88-S174 PolarHBondContact O-OG 2.89Å
89	I	88.5	Confident	88.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.19	C	C	.	.			trans	-125.9	96.7	-171.2	-38.2	164.5	0	0	0	108.3	R86 F87 I100 L103 A104 M164 W173 R283	R86-I89 PolarHBondContact O-N 3.32Å; F87-I89 PolarHBondContact O-N 3.45Å; I89-I100 HydrophobicContact CB-CG2 4.48Å; I89-I100 HydrophobicContact CG2-CB 4.38Å; I89-I100 HydrophobicContact CG2-CG1 4.4Å; I89-I100 HydrophobicContact CG2-CG2 3.64Å; I89-L103 HydrophobicContact CD1-CB 4.07Å; I89-L103 HydrophobicContact CD1-CD2 4Å; I89-L103 HydrophobicContact CD1-CG 3.69Å; I89-L103 HydrophobicContact CG1-CD2 4.26Å; I89-L103 HydrophobicContact CG1-CG 4.48Å; I89-L103 HydrophobicContact CG2-CD2 3.98Å; I89-A104 HydrophobicContact CD1-CB 4.07Å; I89-M164 HydrophobicContact CG2-CE 4.28Å; I89-M164 HydrophobicContact CG2-CG 3.95Å; I89-M164 HydrophobicContact CG2-SD 3.59Å; I89-M164 VanDerWaalsContact CG2-SD 3.59Å; I89-W173 HydrophobicContact CD1-CH2 3.9Å; I89-W173 HydrophobicContact CD1-CZ2 4.36Å; I89-W173 HydrophobicContact CG1-CH2 3.78Å; I89-W173 HydrophobicContact CG1-CZ2 3.94Å; I89-R283 PolarHBondContact O-NH1 3.01Å; I89-R283 PolarHBondContact O-NH2 3.32Å
90	K	90	Very high	88.6	Confident	52 Å²	52	32 Å²	32	23%	0.226	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-116.7	134.8	172.1	-61.8	-165.3	175.7	-159.7	0	110.5	M164 H165 G287	K90-M164 WeakPolarHBondContact O-CA 3.28Å; K90-H165 WeakPolarHBondContact CB-O 3.29Å; K90-H165 PolarHBondContact N-O 2.85Å; K90-H165 PolarHBondContact O-N 3.45Å; K90-G287 VanDerWaalsContact CE-O 3.23Å; K90-G287 WeakPolarHBondContact CE-O 3.38Å; K90-G287 PolarHBondContact NZ-O 2.65Å
91	Q	90	Very high	88.5	Confident	20 Å²	20	29.7 Å²	29.7	9%	0.093	17%	0.174	C	C	.	.			trans	-67.5	136.1	176.5	-169.8	169.8	-25.4	0	0	111.4	L94 I100 E247 P285	Q91-L94 PolarHBondContact NE2-O 3.02Å; Q91-I100 VanDerWaalsContact CA-CD1 3.42Å; Q91-I100 HydrophobicContact CB-CD1 3.39Å; Q91-I100 HydrophobicContact CG-CD1 3.54Å; Q91-E247 PolarHBondContact NE2-OE1 2.83Å; Q91-P285 PolarHBondContact N-O 3.12Å
92	G	91.3	Very high	88.8	Confident	22 Å²	22	29 Å²	29	23%	0.227	17%	0.169	C	C	.	.			trans	-98.5	-144.5	169.2	0	0	0	0	0	112	L94 V162	G92-L94 PolarHBondContact O-N 3.46Å; G92-V162 CarbonylContact C-O 3.21Å; G92-V162 WeakPolarHBondContact CA-O 3.31Å
93	E	89.1	Confident	89.2	Confident	77 Å²	77	21.4 Å²	21.4	36%	0.36	13%	0.128	S	C	.	.	S	Bend	trans	-77.2	-1	-177.9	-59.9	-172.4	166.1	0	0	114.7	R157 V162 R192	E93-R157 IonicContact OE1-CZ 3.02Å; E93-R157 IonicContact OE1-NH1 3.44Å; E93-R157 PolarHBondContact OE1-NH1 2.91Å; E93-R157 IonicContact OE1-NH2 2.61Å; E93-R157 PolarHBondContact OE1-NH2 3.32Å; E93-R157 IonicContact OE2-NH1 3.57Å; E93-R157 PolarHBondContact OE2-NH1 3.39Å; E93-V162 HydrophobicContact CB-CG1 3.98Å; E93-V162 HydrophobicContact CG-CG1 3.57Å; E93-V162 PolarHBondContact N-O 3.13Å; E93-V162 WeakPolarHBondContact OE2-CG1 3.38Å; E93-R192 PolarHBondContact O-NH1 2.72Å; E93-R192 PolarHBondContact O-NH2 3.29Å
94	L	87.8	Confident	89.3	Confident	2 Å²	2	19.3 Å²	19.3	1%	0.01	11%	0.106	C	C	.	.	S	Bend	trans	-90.8	129.6	-179.9	-166.1	60.3	0	0	0	109.5	Q91 G92 N96 F163 Y188 L191 R192	Q91-L94 PolarHBondContact NE2-O 3.02Å; G92-L94 PolarHBondContact O-N 3.46Å; L94-N96 HydrophobicContact CD2-CB 4.22Å; L94-N96 HydrophobicContact CG-CB 4.07Å; L94-N96 PolarHBondContact O-N 3Å; L94-N96 PolarHBondContact O-OD1 2.89Å; L94-N96 VanDerWaalsContact O-OD1 3.06Å; L94-F163 HydrophobicContact CB-CD1 3.82Å; L94-F163 HydrophobicContact CB-CE1 4.26Å; L94-F163 HydrophobicContact CB-CG 4.47Å; L94-Y188 HydrophobicContact CD2-CD1 3.9Å; L94-L191 HydrophobicContact CD2-CB 4.12Å; L94-L191 HydrophobicContact CD2-CD1 4.27Å; L94-R192 HydrophobicContact CD1-CG 3.49Å; L94-R192 VanDerWaalsContact CD1-CG 3.49Å; L94-R192 HydrophobicContact CG-CG 4.44Å
95	G	86.7	Confident	89.5	Confident	18 Å²	18	16.8 Å²	16.8	19%	0.186	9%	0.091	C	C	.	.			trans	-78.7	57	176.2	0	0	0	0	0	111.7	G193	G95-G193 PolarHBondContact O-N 3.26Å
96	N	90.1	Very high	89.7	Confident	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.08	C	C	.	.			trans	-114.5	30.9	-178.7	67.7	-23.1	0	0	0	111.9	L94 W98 V99 I100 E178 L191	L94-N96 HydrophobicContact CD2-CB 4.22Å; L94-N96 HydrophobicContact CG-CB 4.07Å; L94-N96 PolarHBondContact O-N 3Å; L94-N96 PolarHBondContact O-OD1 2.89Å; L94-N96 VanDerWaalsContact O-OD1 3.06Å; N96-W98 PolarHBondContact O-N 3.46Å; N96-V99 HydrophobicContact CB-CB 4.47Å; N96-V99 HydrophobicContact CB-CG2 4.18Å; N96-V99 WeakPolarHBondContact O-CB 3.22Å; N96-V99 PolarHBondContact O-N 3.22Å; N96-I100 PolarHBondContact O-N 3.33Å; N96-E178 PolarHBondContact ND2-OE1 3.32Å; N96-L191 HydrophobicContact CB-CB 4.02Å; N96-L191 WeakPolarHBondContact CB-O 3.38Å
97	C	90.9	Very high	90.1	Very high	14 Å²	14	13.3 Å²	13.3	10%	0.095	7%	0.074	C	C	.	.	H	α-helix	trans	-47.2	-35.9	177.1	58.1	0	0	0	0	113.4	V99 I100 A101 H258 P285	C97-V99 VanDerWaalsContact C-N 3.34Å; C97-V99 PolarHBondContact O-N 2.79Å; C97-I100 PolarHBondContact O-N 3.12Å; C97-A101 WeakPolarHBondContact O-CB 3.34Å; C97-A101 PolarHBondContact O-N 2.93Å; C97-H258 WeakPolarHBondContact CB-CE1 3.24Å; C97-H258 WeakPolarHBondContact CB-ND1 3.46Å; C97-H258 PolarHBondContact SG-ND1 3.15Å; C97-H258 VanDerWaalsContact SG-ND1 3.43Å; C97-P285 HydrophobicContact CB-CG 4.5Å
98	W	93.1	Very high	90.2	Very high	3 Å²	3	13.5 Å²	13.5	1%	0.011	8%	0.076	C	C	.	.	H	α-helix	trans	-59.6	-37.8	175	69.6	-84.2	0	0	0	113.5	N96 A102 Y181 L191 G194 T196 E198 A199	N96-W98 PolarHBondContact O-N 3.46Å; W98-A102 PolarHBondContact O-N 3.45Å; W98-Y181 AromaticContact CH2-CE1 3.88Å; W98-Y181 HydrophobicContact CH2-CE1 3.88Å; W98-Y181 HydrophobicContact CZ3-CE1 4.36Å; W98-L191 HydrophobicContact CZ2-CD2 4.37Å; W98-L191 PolarHBondContact NE1-O 3.4Å; W98-G194 WeakPolarHBondContact CB-O 3.14Å; W98-T196 WeakPolarHBondContact O-CG2 3.47Å; W98-E198 HydrophobicContact CE3-CB 4.28Å; W98-E198 HydrophobicContact CH2-CB 4.35Å; W98-E198 HydrophobicContact CZ3-CB 3.63Å; W98-A199 HydrophobicContact CE3-CB 3.63Å; W98-A199 HydrophobicContact CZ3-CB 3.55Å
99	V	94	Very high	90.2	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-70.4	-44	174.6	-176.3	0	0	0	0	110.1	N96 C97 A102 L103 Y181 L191 F203	N96-V99 HydrophobicContact CB-CB 4.47Å; N96-V99 HydrophobicContact CB-CG2 4.18Å; N96-V99 WeakPolarHBondContact O-CB 3.22Å; N96-V99 PolarHBondContact O-N 3.22Å; C97-V99 VanDerWaalsContact C-N 3.34Å; C97-V99 PolarHBondContact O-N 2.79Å; V99-A102 PolarHBondContact O-N 3.38Å; V99-L103 WeakPolarHBondContact O-CB 3.31Å; V99-L103 PolarHBondContact O-N 3.29Å; V99-Y181 HydrophobicContact CG1-CD1 3.86Å; V99-Y181 HydrophobicContact CG1-CE1 4.08Å; V99-Y181 HydrophobicContact CG2-CD1 4.11Å; V99-Y181 HydrophobicContact CG2-CE1 3.83Å; V99-L191 HydrophobicContact CG2-CD2 4.37Å; V99-F203 HydrophobicContact CG1-CE2 4.43Å; V99-F203 HydrophobicContact CG1-CZ 3.86Å
100	I	92.8	Very high	90.1	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.4	-43.5	-176.5	-65.8	174.1	0	0	0	110.9	I89 Q91 N96 C97 A102 L103 A104 M164 P285	I89-I100 HydrophobicContact CB-CG2 4.48Å; I89-I100 HydrophobicContact CG2-CB 4.38Å; I89-I100 HydrophobicContact CG2-CG1 4.4Å; I89-I100 HydrophobicContact CG2-CG2 3.64Å; Q91-I100 VanDerWaalsContact CA-CD1 3.42Å; Q91-I100 HydrophobicContact CB-CD1 3.39Å; Q91-I100 HydrophobicContact CG-CD1 3.54Å; N96-I100 PolarHBondContact O-N 3.33Å; C97-I100 PolarHBondContact O-N 3.12Å; I100-A102 VanDerWaalsContact C-N 3.34Å; I100-A102 PolarHBondContact O-N 3.03Å; I100-L103 PolarHBondContact O-N 3.45Å; I100-A104 WeakPolarHBondContact O-CB 3.48Å; I100-A104 PolarHBondContact O-N 3.41Å; I100-M164 HydrophobicContact CD1-CE 4.19Å; I100-M164 HydrophobicContact CG1-CE 3.43Å; I100-M164 VanDerWaalsContact CG1-CE 3.43Å; I100-P285 HydrophobicContact CB-CB 4.06Å; I100-P285 HydrophobicContact CG2-CB 3.52Å; I100-P285 HydrophobicContact CG2-CG 4.28Å
101	A	92.3	Very high	89.9	Confident	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-61.2	-43.6	177.3	0	0	0	0	0	111.3	C97 S105 T196 A259 S261 P285	C97-A101 WeakPolarHBondContact O-CB 3.34Å; C97-A101 PolarHBondContact O-N 2.93Å; A101-S105 PolarHBondContact O-N 2.9Å; A101-S105 VanDerWaalsContact O-N 3.11Å; A101-S105 PolarHBondContact O-OG 3.42Å; A101-T196 HydrophobicContact CB-CG2 4Å; A101-A259 HydrophobicContact CB-CB 3.76Å; A101-S261 VanDerWaalsContact CA-OG 3.27Å; A101-S261 WeakPolarHBondContact CA-OG 3.34Å; A101-S261 PolarHBondContact O-OG 3.23Å; A101-P285 HydrophobicContact CB-CG 4.07Å
102	A	93.8	Very high	89.8	Confident	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-62.8	-44.1	174.8	0	0	0	0	0	112	W98 V99 I100 S105 L106 T196 A199 M200 F203	W98-A102 PolarHBondContact O-N 3.45Å; V99-A102 PolarHBondContact O-N 3.38Å; I100-A102 VanDerWaalsContact C-N 3.34Å; I100-A102 PolarHBondContact O-N 3.03Å; A102-S105 PolarHBondContact O-N 3.1Å; A102-L106 PolarHBondContact O-N 3.03Å; A102-T196 HydrophobicContact CB-CG2 3.83Å; A102-A199 HydrophobicContact CB-CB 3.46Å; A102-A199 VanDerWaalsContact CB-CB 3.46Å; A102-M200 HydrophobicContact CB-CG 3.62Å; A102-F203 HydrophobicContact CB-CD2 3.98Å; A102-F203 HydrophobicContact CB-CE2 3.85Å
103	L	93.2	Very high	89.8	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-68	-38.1	-178.5	-170.3	65.1	0	0	0	112.3	I89 V99 I100 S105 L106 S107 M164 W173 L177 F203	I89-L103 HydrophobicContact CD1-CB 4.07Å; I89-L103 HydrophobicContact CD1-CD2 4Å; I89-L103 HydrophobicContact CD1-CG 3.69Å; I89-L103 HydrophobicContact CG1-CD2 4.26Å; I89-L103 HydrophobicContact CG1-CG 4.48Å; I89-L103 HydrophobicContact CG2-CD2 3.98Å; V99-L103 WeakPolarHBondContact O-CB 3.31Å; V99-L103 PolarHBondContact O-N 3.29Å; I100-L103 PolarHBondContact O-N 3.45Å; L103-S105 VanDerWaalsContact C-N 3.33Å; L103-L106 HydrophobicContact CD1-CD2 4.01Å; L103-L106 WeakPolarHBondContact O-CB 3.44Å; L103-L106 PolarHBondContact O-N 3.19Å; L103-S107 PolarHBondContact O-N 3.1Å; L103-M164 HydrophobicContact CD2-CE 4.31Å; L103-M164 HydrophobicContact CD2-SD 3.85Å; L103-W173 HydrophobicContact CD1-CH2 4.38Å; L103-W173 HydrophobicContact CD1-CZ3 4.1Å; L103-W173 HydrophobicContact CD2-CH2 3.96Å; L103-W173 HydrophobicContact CD2-CZ3 3.8Å; L103-W173 HydrophobicContact CG-CH2 4.07Å; L103-W173 HydrophobicContact CG-CZ3 4.13Å; L103-L177 HydrophobicContact CD1-CD1 3.73Å; L103-L177 HydrophobicContact CD1-CD2 4.13Å; L103-L177 HydrophobicContact CD2-CD1 4.41Å; L103-L177 HydrophobicContact CD2-CD2 3.76Å; L103-F203 HydrophobicContact CB-CE2 4Å; L103-F203 HydrophobicContact CD1-CE2 4.2Å; L103-F203 HydrophobicContact CD1-CZ 4.46Å
104	A	89.6	Confident	90	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-62.6	-41.8	173.3	0	0	0	0	0	111.3	R86 I89 I100 S107 S261	R86-A104 HydrophobicContact CB-CB 4.13Å; I89-A104 HydrophobicContact CD1-CB 4.07Å; I100-A104 WeakPolarHBondContact O-CB 3.48Å; I100-A104 PolarHBondContact O-N 3.41Å; A104-S107 PolarHBondContact O-N 2.91Å; A104-S107 PolarHBondContact O-OG 2.8Å; A104-S261 WeakPolarHBondContact CB-OG 3.33Å
105	S	89.9	Confident	90.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.7	-40.5	172.3	-64.4	0	0	0	0	112.2	A101 A102 L103 S107 M108 Y109 M235 S261	A101-S105 PolarHBondContact O-N 2.9Å; A101-S105 VanDerWaalsContact O-N 3.11Å; A101-S105 PolarHBondContact O-OG 3.42Å; A102-S105 PolarHBondContact O-N 3.1Å; L103-S105 VanDerWaalsContact C-N 3.33Å; S105-S107 PolarHBondContact O-N 3.21Å; S105-M108 PolarHBondContact O-N 3.24Å; S105-Y109 WeakPolarHBondContact O-CD2 3.06Å; S105-Y109 WeakPolarHBondContact O-CE2 3.44Å; S105-M235 PolarHBondContact OG-O 2.9Å; S105-S261 WeakPolarHBondContact OG-CB 3.31Å
106	L	90.7	Very high	90.7	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-62.8	-40.7	177.6	-176.3	72.3	0	0	0	112.6	A102 L103 M108 Y109 L112 F113 V116 F203 T204 L234	A102-L106 PolarHBondContact O-N 3.03Å; L103-L106 HydrophobicContact CD1-CD2 4.01Å; L103-L106 WeakPolarHBondContact O-CB 3.44Å; L103-L106 PolarHBondContact O-N 3.19Å; L106-M108 PolarHBondContact O-N 3.09Å; L106-Y109 PolarHBondContact O-N 2.73Å; L106-L112 HydrophobicContact CD1-CB 3.7Å; L106-F113 HydrophobicContact CD2-CD2 4.24Å; L106-F113 HydrophobicContact CG-CB 4.37Å; L106-F113 HydrophobicContact CG-CD2 4.36Å; L106-V116 HydrophobicContact CD2-CB 3.99Å; L106-V116 HydrophobicContact CD2-CG1 4.4Å; L106-V116 HydrophobicContact CD2-CG2 3.78Å; L106-F203 HydrophobicContact CD1-CB 4.48Å; L106-F203 HydrophobicContact CD2-CB 4.01Å; L106-F203 HydrophobicContact CD2-CD2 4.33Å; L106-F203 HydrophobicContact CD2-CG 4.23Å; L106-T204 HydrophobicContact CD1-CG2 4.06Å; L106-L234 HydrophobicContact CB-CD1 4.31Å; L106-L234 HydrophobicContact CD1-CD1 4.21Å
107	S	89.5	Confident	91	Very high	7 Å²	7	17 Å²	17	5%	0.049	9%	0.091	C	C	.	.	H	α-helix	trans	-58.9	-21.2	-177.4	74.3	0	0	0	0	113.8	R86 L103 A104 S105 Y109	R86-S107 VanDerWaalsContact CA-OG 3.26Å; R86-S107 WeakPolarHBondContact CA-OG 3.48Å; R86-S107 WeakPolarHBondContact CB-OG 3.39Å; R86-S107 PolarHBondContact N-OG 3.25Å; L103-S107 PolarHBondContact O-N 3.1Å; A104-S107 PolarHBondContact O-N 2.91Å; A104-S107 PolarHBondContact O-OG 2.8Å; S105-S107 PolarHBondContact O-N 3.21Å; S107-Y109 PolarHBondContact O-N 2.93Å
108	M	84.6	Confident	91.2	Very high	52 Å²	52	16.4 Å²	16.4	26%	0.256	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-12.5	176.5	-56.4	-167.9	-70.1	0	0	113.3	S105 L106 T263	S105-M108 PolarHBondContact O-N 3.24Å; L106-M108 PolarHBondContact O-N 3.09Å; M108-T263 HydrophobicContact CE-CG2 4.41Å; M108-T263 HydrophobicContact SD-CG2 4Å
109	Y	86.3	Confident	91.2	Very high	27 Å²	27	19 Å²	19	11%	0.106	10%	0.104	C	C	.	.			trans	-123.6	88.5	-175	-55.3	-73	0	0	0	110.6	S105 L106 S107 E111 L112 F113 A232 S233 L234	S105-Y109 WeakPolarHBondContact O-CD2 3.06Å; S105-Y109 WeakPolarHBondContact O-CE2 3.44Å; L106-Y109 PolarHBondContact O-N 2.73Å; S107-Y109 PolarHBondContact O-N 2.93Å; Y109-E111 VanDerWaalsContact C-N 3.27Å; Y109-E111 PolarHBondContact O-N 3.28Å; Y109-E111 VanDerWaalsContact O-N 3.11Å; Y109-L112 HydrophobicContact CD2-CD1 4.48Å; Y109-L112 HydrophobicContact CG-CD1 4.22Å; Y109-L112 PolarHBondContact O-N 3.23Å; Y109-L112 VanDerWaalsContact O-N 3.12Å; Y109-F113 WeakPolarHBondContact O-CB 3.48Å; Y109-F113 PolarHBondContact O-N 3.08Å; Y109-A232 HydrophobicContact CD1-CB 3.6Å; Y109-A232 VanDerWaalsContact CE1-CA 3.47Å; Y109-A232 HydrophobicContact CE1-CB 3.51Å; Y109-A232 HydrophobicContact CG-CB 4.31Å; Y109-S233 PolarHBondContact OH-O 2.91Å; Y109-L234 HydrophobicContact CD2-CD2 3.51Å; Y109-L234 HydrophobicContact CE2-CD2 3.55Å
110	P	87.2	Confident	91.1	Very high	84 Å²	84	23.1 Å²	23.1	55%	0.545	13%	0.125	S	C	.	.	H	α-helix	trans	-54.7	-37	-170.5	-29.6	35.5	0	0	0	115	N114	P110-N114 WeakPolarHBondContact O-CB 3.46Å; P110-N114 PolarHBondContact O-N 3.33Å; P110-N114 PolarHBondContact O-ND2 3.1Å
111	E	84.7	Confident	91.2	Very high	83 Å²	83	23.8 Å²	23.8	39%	0.388	13%	0.129	S	C	.	.	H	α-helix	trans	-70.8	-39.3	-178.3	-60.4	-170.9	-173.8	0	0	112.6	Y109 Q115 Y350	Y109-E111 VanDerWaalsContact C-N 3.27Å; Y109-E111 PolarHBondContact O-N 3.28Å; Y109-E111 VanDerWaalsContact O-N 3.11Å; E111-Q115 PolarHBondContact O-N 2.67Å; E111-Y350 HydrophobicContact CB-CD1 4.08Å; E111-Y350 HydrophobicContact CB-CG 4.27Å; E111-Y350 VanDerWaalsContact OE2-C 3.23Å; E111-Y350 WeakPolarHBondContact OE2-CA 3.43Å; E111-Y350 VanDerWaalsContact OE2-CB 3.29Å; E111-Y350 WeakPolarHBondContact OE2-CB 3.36Å
112	L	87.8	Confident	91.4	Very high	7 Å²	7	25.1 Å²	25.1	4%	0.037	14%	0.138	C	C	.	.	H	α-helix	trans	-70.9	-41.8	173.5	-61.7	173.1	0	0	0	110.9	L106 Y109 N114 Q115 L343	L106-L112 HydrophobicContact CD1-CB 3.7Å; Y109-L112 HydrophobicContact CD2-CD1 4.48Å; Y109-L112 HydrophobicContact CG-CD1 4.22Å; Y109-L112 PolarHBondContact O-N 3.23Å; Y109-L112 VanDerWaalsContact O-N 3.12Å; L112-N114 VanDerWaalsContact C-N 3.28Å; L112-N114 PolarHBondContact O-N 3.35Å; L112-Q115 WeakPolarHBondContact O-CB 3.43Å; L112-Q115 PolarHBondContact O-N 2.96Å; L112-L343 HydrophobicContact CD1-CD1 3.59Å; L112-L343 HydrophobicContact CD1-CD2 3.84Å; L112-L343 HydrophobicContact CD1-CG 4.34Å; L112-L343 HydrophobicContact CD2-CD1 4.14Å; L112-L343 HydrophobicContact CD2-CD2 4.23Å; L112-L343 HydrophobicContact CG-CD1 4.43Å
113	F	92.2	Very high	91.5	Very high	3 Å²	3	26 Å²	26	1%	0.013	14%	0.142	C	C	.	.	H	α-helix	trans	-55.1	-45.8	175.4	179.3	-92.5	0	0	0	111.3	V84 L106 Y109 Q115 V116 V117 W173	V84-F113 HydrophobicContact CB-CD1 4.43Å; V84-F113 HydrophobicContact CB-CE1 4.12Å; V84-F113 HydrophobicContact CB-CZ 4.25Å; V84-F113 HydrophobicContact CG1-CD1 4.06Å; V84-F113 HydrophobicContact CG1-CD2 3.9Å; V84-F113 HydrophobicContact CG1-CE1 3.74Å; V84-F113 HydrophobicContact CG1-CE2 3.56Å; V84-F113 HydrophobicContact CG1-CG 4.12Å; V84-F113 HydrophobicContact CG1-CZ 3.46Å; V84-F113 VanDerWaalsContact CG1-CZ 3.46Å; V84-F113 HydrophobicContact CG2-CD1 3.93Å; V84-F113 HydrophobicContact CG2-CE1 3.34Å; V84-F113 HydrophobicContact CG2-CZ 3.74Å; L106-F113 HydrophobicContact CD2-CD2 4.24Å; L106-F113 HydrophobicContact CG-CB 4.37Å; L106-F113 HydrophobicContact CG-CD2 4.36Å; Y109-F113 WeakPolarHBondContact O-CB 3.48Å; Y109-F113 PolarHBondContact O-N 3.08Å; F113-Q115 PolarHBondContact O-N 3.4Å; F113-V116 PolarHBondContact O-N 3.14Å; F113-V117 HydrophobicContact CD1-CB 4.12Å; F113-V117 HydrophobicContact CD2-CG2 4.46Å; F113-V117 HydrophobicContact CE1-CB 3.47Å; F113-V117 VanDerWaalsContact CE1-CB 3.47Å; F113-V117 HydrophobicContact CE1-CG1 3.76Å; F113-V117 HydrophobicContact CE1-CG2 3.99Å; F113-V117 HydrophobicContact CE2-CB 4.17Å; F113-V117 HydrophobicContact CE2-CG2 3.75Å; F113-V117 HydrophobicContact CZ-CB 3.52Å; F113-V117 HydrophobicContact CZ-CG1 3.8Å; F113-V117 HydrophobicContact CZ-CG2 3.49Å; F113-V117 VanDerWaalsContact CZ-CG2 3.49Å; F113-V117 PolarHBondContact O-N 3.5Å; F113-W173 HydrophobicContact CE2-CE3 4.02Å; F113-W173 AromaticContact CE2-CH2 3.46Å; F113-W173 HydrophobicContact CE2-CH2 3.46Å; F113-W173 VanDerWaalsContact CE2-CH2 3.46Å; F113-W173 HydrophobicContact CE2-CZ2 4.07Å; F113-W173 AromaticContact CE2-CZ3 3.43Å; F113-W173 HydrophobicContact CE2-CZ3 3.43Å; F113-W173 VanDerWaalsContact CE2-CZ3 3.43Å; F113-W173 HydrophobicContact CZ-CD2 4.02Å; F113-W173 AromaticContact CZ-CE3 3.71Å; F113-W173 HydrophobicContact CZ-CE3 3.71Å; F113-W173 AromaticContact CZ-CH2 3.84Å; F113-W173 HydrophobicContact CZ-CH2 3.84Å; F113-W173 HydrophobicContact CZ-CZ2 4.1Å; F113-W173 AromaticContact CZ-CZ3 3.63Å; F113-W173 HydrophobicContact CZ-CZ3 3.63Å
114	N	93.3	Very high	91.6	Very high	54 Å²	54	31.8 Å²	31.8	29%	0.289	17%	0.169	S	C	.	.	H	α-helix	trans	-65.4	-18.4	179.2	-72.6	-20.7	0	0	0	113.8	P110 L112 V117	P110-N114 WeakPolarHBondContact O-CB 3.46Å; P110-N114 PolarHBondContact O-N 3.33Å; P110-N114 PolarHBondContact O-ND2 3.1Å; L112-N114 VanDerWaalsContact C-N 3.28Å; L112-N114 PolarHBondContact O-N 3.35Å; N114-V117 WeakPolarHBondContact CA-O 3.31Å
115	Q	92	Very high	91.8	Very high	22 Å²	22	40 Å²	40	10%	0.103	21%	0.205	C	C	.	.	H	α-helix	trans	-70.9	-35.5	169.7	-64.6	-62	-32.5	0	0	111.3	E111 L112 F113 R138 W145 Y350	E111-Q115 PolarHBondContact O-N 2.67Å; L112-Q115 WeakPolarHBondContact O-CB 3.43Å; L112-Q115 PolarHBondContact O-N 2.96Å; F113-Q115 PolarHBondContact O-N 3.4Å; Q115-R138 VanDerWaalsContact O-CB 3.22Å; Q115-R138 WeakPolarHBondContact O-CB 3.48Å; Q115-R138 WeakPolarHBondContact O-CD 3.45Å; Q115-R138 VanDerWaalsContact O-CG 3.25Å; Q115-R138 WeakPolarHBondContact O-CG 3.42Å; Q115-W145 HydrophobicContact CB-CH2 4.17Å; Q115-W145 HydrophobicContact CB-CZ3 4.47Å; Q115-Y350 VanDerWaalsContact NE2-CZ 3.33Å; Q115-Y350 PolarHBondContact NE2-OH 3.43Å
116	V	95.8	Very high	91.9	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-89	-40.7	-178.9	179.9	0	0	0	0	112	L106 F113 P118 F137 R138 F139 W145 L177 F203	L106-V116 HydrophobicContact CD2-CB 3.99Å; L106-V116 HydrophobicContact CD2-CG1 4.4Å; L106-V116 HydrophobicContact CD2-CG2 3.78Å; F113-V116 PolarHBondContact O-N 3.14Å; V116-P118 VanDerWaalsContact O-CD 3.29Å; V116-P118 WeakPolarHBondContact O-CD 3.41Å; V116-F137 CarbonylContact O-C 3.45Å; V116-F137 VanDerWaalsContact O-CA 3.31Å; V116-F137 WeakPolarHBondContact O-CA 3.17Å; V116-R138 WeakPolarHBondContact CA-O 3.31Å; V116-R138 WeakPolarHBondContact CG1-O 3.4Å; V116-R138 PolarHBondContact O-N 2.89Å; V116-F139 HydrophobicContact CG1-CD1 4.22Å; V116-F139 HydrophobicContact CG1-CE1 3.93Å; V116-W145 HydrophobicContact CG2-CZ3 4.49Å; V116-L177 HydrophobicContact CG1-CD1 3.72Å; V116-F203 HydrophobicContact CG1-CD1 4.06Å; V116-F203 HydrophobicContact CG2-CB 3.92Å; V116-F203 HydrophobicContact CG2-CD1 4.41Å; V116-F203 HydrophobicContact CG2-CG 4.44Å; V116-F203 WeakPolarHBondContact CG2-O 3.5Å
117	V	96.6	Very high	92	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	25%	0.248	C	C	.	.	S	Bend	trans	-116.6	87.6	179.4	-175.9	0	0	0	0	108.5	F79 F113 N114 F137 W173 L177	F79-V117 HydrophobicContact CE1-CG1 3.65Å; F79-V117 HydrophobicContact CZ-CG1 3.76Å; F113-V117 HydrophobicContact CD1-CB 4.12Å; F113-V117 HydrophobicContact CD2-CG2 4.46Å; F113-V117 HydrophobicContact CE1-CB 3.47Å; F113-V117 VanDerWaalsContact CE1-CB 3.47Å; F113-V117 HydrophobicContact CE1-CG1 3.76Å; F113-V117 HydrophobicContact CE1-CG2 3.99Å; F113-V117 HydrophobicContact CE2-CB 4.17Å; F113-V117 HydrophobicContact CE2-CG2 3.75Å; F113-V117 HydrophobicContact CZ-CB 3.52Å; F113-V117 HydrophobicContact CZ-CG1 3.8Å; F113-V117 HydrophobicContact CZ-CG2 3.49Å; F113-V117 VanDerWaalsContact CZ-CG2 3.49Å; F113-V117 PolarHBondContact O-N 3.5Å; N114-V117 WeakPolarHBondContact CA-O 3.31Å; V117-F137 HydrophobicContact CB-CD1 4.47Å; V117-F137 HydrophobicContact CG1-CD1 4.49Å; V117-F137 HydrophobicContact CG1-CE1 4.11Å; V117-F137 HydrophobicContact CG2-CD1 3.97Å; V117-F137 HydrophobicContact CG2-CE1 4.05Å; V117-W173 HydrophobicContact CG2-CE3 4.01Å; V117-W173 HydrophobicContact CG2-CZ3 4.19Å; V117-L177 HydrophobicContact CG2-CD1 3.39Å
118	P	95.5	Very high	92.2	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.006	27%	0.272	C	S	.	.			trans	-54.2	135.3	179	-29.4	36.4	0	0	0	112.3	L21 V116 Q121 W136 R138	L21-P118 HydrophobicContact CD1-CB 4.17Å; L21-P118 HydrophobicContact CD1-CG 3.96Å; V116-P118 VanDerWaalsContact O-CD 3.29Å; V116-P118 WeakPolarHBondContact O-CD 3.41Å; P118-Q121 PolarHBondContact O-NE2 3.32Å; P118-W136 HydrophobicContact CB-CD2 4.36Å; P118-W136 HydrophobicContact CB-CE3 3.57Å; P118-W136 HydrophobicContact CB-CH2 3.71Å; P118-W136 HydrophobicContact CB-CZ2 4.4Å; P118-W136 HydrophobicContact CB-CZ3 3.22Å; P118-W136 WeakPolarHBondContact CD-O 3.26Å; P118-W136 HydrophobicContact CG-CD2 3.77Å; P118-W136 HydrophobicContact CG-CE3 3.47Å; P118-W136 VanDerWaalsContact CG-CE3 3.47Å; P118-W136 HydrophobicContact CG-CH2 3.35Å; P118-W136 HydrophobicContact CG-CZ2 3.57Å; P118-W136 HydrophobicContact CG-CZ3 3.29Å; P118-R138 HydrophobicContact CG-CG 4.03Å
119	P	92.7	Very high	92.7	Very high	57 Å²	57	50 Å²	50	37%	0.37	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	175.2	-176.8	30.6	-36.4	0	0	0	112.3	Q121 Y129	P119-Q121 PolarHBondContact O-N 2.86Å; P119-Y129 WeakPolarHBondContact O-CE2 3.31Å
120	D	92.5	Very high	93.2	Very high	86 Å²	86	50.2 Å²	50.2	46%	0.46	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	4.4	176.2	-46.2	-42.1	0	0	0	116.4	K128 Y129	D120-K128 HydrophobicContact CB-CB 4.32Å; D120-K128 HydrophobicContact CB-CD 3.98Å; D120-K128 WeakPolarHBondContact OD2-CD 3.43Å; D120-K128 IonicContact OD2-NZ 3.28Å; D120-K128 PolarHBondContact OD2-NZ 3.37Å; D120-Y129 HydrophobicContact CB-CD2 4.06Å; D120-Y129 HydrophobicContact CB-CE2 3.93Å
121	Q	95.9	Very high	93.7	Very high	14 Å²	14	47.5 Å²	47.5	7%	0.065	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-69.2	142.5	171.8	-62.1	-176	79.6	0	0	110.5	F79 P118 P119 Y129 F135 W136	F79-Q121 WeakPolarHBondContact CB-O 3.47Å; F79-Q121 HydrophobicContact CD1-CB 3.69Å; F79-Q121 HydrophobicContact CD2-CB 4.41Å; F79-Q121 HydrophobicContact CE1-CB 3.77Å; F79-Q121 HydrophobicContact CE1-CG 4.39Å; F79-Q121 HydrophobicContact CE2-CB 4.47Å; F79-Q121 HydrophobicContact CG-CB 4.03Å; F79-Q121 HydrophobicContact CZ-CB 4.16Å; P118-Q121 PolarHBondContact O-NE2 3.32Å; P119-Q121 PolarHBondContact O-N 2.86Å; Q121-Y129 HydrophobicContact CG-CD2 4.31Å; Q121-F135 HydrophobicContact CB-CD1 4.22Å; Q121-F135 HydrophobicContact CB-CE1 4.38Å; Q121-W136 PolarHBondContact NE2-O 3.48Å; Q121-W136 PolarHBondContact OE1-O 2.94Å
122	S	95.6	Very high	94.3	Very high	28 Å²	28	44 Å²	44	20%	0.196	23%	0.23	C	C	.	.			trans	-157.2	160	-172.8	177.9	0	0	0	0	112.7	E124	S122-E124 VanDerWaalsContact C-N 3.27Å; S122-E124 PolarHBondContact OG-N 3.47Å
123	F	96.9	Very high	94.8	Very high	18 Å²	18	43.7 Å²	43.7	8%	0.079	23%	0.228	C	C	.	.	S	Bend	trans	-84.9	1.5	169.7	-65.3	-81.5	0	0	0	113.1	P70 V71 P77 R78 F79 Y131 F135 D152 F172 L176	P70-F123 HydrophobicContact CB-CD1 4.31Å; P70-F123 HydrophobicContact CB-CE1 3.55Å; P70-F123 HydrophobicContact CB-CE2 4.4Å; P70-F123 HydrophobicContact CB-CZ 3.62Å; P70-F123 HydrophobicContact CG-CE1 3.6Å; P70-F123 HydrophobicContact CG-CZ 3.58Å; V71-F123 HydrophobicContact CG1-CD1 4.37Å; P77-F123 HydrophobicContact CB-CD1 4.37Å; P77-F123 HydrophobicContact CB-CD2 3.89Å; P77-F123 HydrophobicContact CB-CE2 4.16Å; P77-F123 HydrophobicContact CB-CG 4.02Å; P77-F123 HydrophobicContact CG-CB 4.11Å; P77-F123 HydrophobicContact CG-CD1 4.37Å; P77-F123 HydrophobicContact CG-CD2 4.35Å; P77-F123 HydrophobicContact CG-CG 4.02Å; P77-F123 WeakPolarHBondContact O-CD2 3.36Å; R78-F123 VanDerWaalsContact C-CE2 3.41Å; R78-F123 WeakPolarHBondContact O-CE2 3.4Å; F79-F123 HydrophobicContact CB-CE2 4.26Å; F123-Y131 AromaticContact CD1-CD2 3.98Å; F123-Y131 HydrophobicContact CD1-CD2 3.98Å; F123-Y131 AromaticContact CD1-CE2 3.67Å; F123-Y131 HydrophobicContact CD1-CE2 3.67Å; F123-Y131 HydrophobicContact CE1-CE2 4.19Å; F123-Y131 VanDerWaalsContact O-CB 3.32Å; F123-Y131 WeakPolarHBondContact O-CB 3.27Å; F123-F135 HydrophobicContact CD1-CE2 4.2Å; F123-F135 AromaticContact CD1-CZ 3.72Å; F123-F135 HydrophobicContact CD1-CZ 3.72Å; F123-F135 HydrophobicContact CD2-CZ 4.36Å; F123-F135 HydrophobicContact CE1-CE1 4.43Å; F123-F135 AromaticContact CE1-CE2 3.56Å; F123-F135 HydrophobicContact CE1-CE2 3.56Å; F123-F135 AromaticContact CE1-CZ 3.31Å; F123-F135 HydrophobicContact CE1-CZ 3.31Å; F123-F135 HydrophobicContact CE2-CE1 4.47Å; F123-F135 HydrophobicContact CE2-CZ 4.02Å; F123-F135 HydrophobicContact CG-CZ 4.22Å; F123-F135 HydrophobicContact CZ-CE1 4.22Å; F123-F135 AromaticContact CZ-CE2 3.95Å; F123-F135 HydrophobicContact CZ-CE2 3.95Å; F123-F135 AromaticContact CZ-CZ 3.47Å; F123-F135 HydrophobicContact CZ-CZ 3.47Å; F123-F135 VanDerWaalsContact CZ-CZ 3.47Å; F123-D152 HydrophobicContact CE1-CB 4.48Å; F123-F172 HydrophobicContact CE2-CB 4.26Å; F123-F172 HydrophobicContact CE2-CD2 4.32Å; F123-F172 HydrophobicContact CZ-CB 4.06Å; F123-F172 HydrophobicContact CZ-CD2 4.45Å; F123-F172 HydrophobicContact CZ-CG 4.46Å; F123-L176 HydrophobicContact CZ-CD1 4.21Å
124	E	95	Very high	95.1	Very high	122 Å²	122	44 Å²	44	57%	0.57	23%	0.23	S	C	*	.			trans	-88.7	142.2	178.3	-64.4	-177.6	-178.4	0	0	112.7	S122 S126 S127 Y131	S122-E124 VanDerWaalsContact C-N 3.27Å; S122-E124 PolarHBondContact OG-N 3.47Å; E124-S126 VanDerWaalsContact C-N 3.29Å; E124-S126 PolarHBondContact O-N 2.95Å; E124-S127 PolarHBondContact O-OG 3.05Å; E124-Y131 PolarHBondContact O-N 3.41Å
125	K	92.4	Very high	95.3	Very high	174 Å²	174	41.6 Å²	41.6	76%	0.757	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-18.3	176.1	-66	-176.8	-180	-179.6	0	113.7	P130	K125-P130 WeakPolarHBondContact O-CB 3.24Å
126	S	92.9	Very high	95.6	Very high	104 Å²	104	40.5 Å²	40.5	73%	0.727	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	0.2	-177.2	43.8	0	0	0	0	114	E124	E124-S126 VanDerWaalsContact C-N 3.29Å; E124-S126 PolarHBondContact O-N 2.95Å
127	S	93.2	Very high	95.7	Very high	27 Å²	27	40.5 Å²	40.5	19%	0.189	21%	0.212	C	C	.	.	S	Bend	trans	-73.2	173.3	-176.9	71.1	0	0	0	0	112.3	E124 Y129 P130	E124-S127 PolarHBondContact O-OG 3.05Å; S127-Y129 PolarHBondContact O-N 3.02Å; S127-Y129 PolarHBondContact OG-N 2.91Å; S127-Y129 PolarHBondContact OG-O 2.85Å; S127-P130 WeakPolarHBondContact O-CD 3.23Å; S127-P130 WeakPolarHBondContact O-CG 3.5Å
128	K	93.2	Very high	95.7	Very high	124 Å²	124	40.5 Å²	40.5	54%	0.539	21%	0.212	S	C	.	.	S	Bend	trans	-59.7	-32.8	173	-178.7	177.6	168.8	-171.6	0	112.6	D120 P130	D120-K128 HydrophobicContact CB-CB 4.32Å; D120-K128 HydrophobicContact CB-CD 3.98Å; D120-K128 WeakPolarHBondContact OD2-CD 3.43Å; D120-K128 IonicContact OD2-NZ 3.28Å; D120-K128 PolarHBondContact OD2-NZ 3.37Å; K128-P130 WeakPolarHBondContact O-CD 3.49Å
129	Y	96	Very high	95.8	Very high	14 Å²	14	40.5 Å²	40.5	6%	0.055	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-119.3	83.3	172	-57.8	-68.7	0	0	0	108.9	A25 F28 K29 I32 P119 D120 Q121 S127	A25-Y129 WeakPolarHBondContact CB-OH 3.5Å; F28-Y129 AromaticContact CD1-CD1 3.86Å; F28-Y129 HydrophobicContact CD1-CD1 3.86Å; F28-Y129 HydrophobicContact CD1-CE1 4.14Å; F28-Y129 HydrophobicContact CD1-CG 4.42Å; F28-Y129 HydrophobicContact CE1-CD1 4.18Å; F28-Y129 HydrophobicContact CE1-CG 4.33Å; K29-Y129 HydrophobicContact CD-CE1 4.47Å; K29-Y129 HydrophobicContact CG-CD1 4.11Å; K29-Y129 HydrophobicContact CG-CE1 3.74Å; I32-Y129 HydrophobicContact CD1-CD1 4.01Å; I32-Y129 HydrophobicContact CD1-CG 4.34Å; P119-Y129 WeakPolarHBondContact O-CE2 3.31Å; D120-Y129 HydrophobicContact CB-CD2 4.06Å; D120-Y129 HydrophobicContact CB-CE2 3.93Å; Q121-Y129 HydrophobicContact CG-CD2 4.31Å; S127-Y129 PolarHBondContact O-N 3.02Å; S127-Y129 PolarHBondContact OG-N 2.91Å; S127-Y129 PolarHBondContact OG-O 2.85Å
130	P	96.4	Very high	95.8	Very high	31 Å²	31	38.3 Å²	38.3	20%	0.201	20%	0.196	C	C	.	.			trans	-56.1	141.8	-172.3	-30.1	36.5	0	0	0	113.7	M36 K125 S127 K128 V132	M36-P130 HydrophobicContact CE-CB 3.23Å; M36-P130 HydrophobicContact CE-CG 3.66Å; K125-P130 WeakPolarHBondContact O-CB 3.24Å; S127-P130 WeakPolarHBondContact O-CD 3.23Å; S127-P130 WeakPolarHBondContact O-CG 3.5Å; K128-P130 WeakPolarHBondContact O-CD 3.49Å; P130-V132 PolarHBondContact O-N 2.86Å; P130-V132 VanDerWaalsContact O-N 3.08Å
131	Y	97.7	Very high	95.8	Very high	27 Å²	27	34.7 Å²	34.7	11%	0.106	18%	0.176	C	C	.	.			trans	-61.8	113	179.9	-179	-111.2	0	0	0	113.4	L41 V71 F123 E124 F135 D152	L41-Y131 HydrophobicContact CD1-CE1 4.34Å; L41-Y131 HydrophobicContact CD2-CD1 4.16Å; L41-Y131 HydrophobicContact CD2-CE1 3.57Å; V71-Y131 HydrophobicContact CG1-CE1 4.39Å; F123-Y131 AromaticContact CD1-CD2 3.98Å; F123-Y131 HydrophobicContact CD1-CD2 3.98Å; F123-Y131 AromaticContact CD1-CE2 3.67Å; F123-Y131 HydrophobicContact CD1-CE2 3.67Å; F123-Y131 HydrophobicContact CE1-CE2 4.19Å; F123-Y131 VanDerWaalsContact O-CB 3.32Å; F123-Y131 WeakPolarHBondContact O-CB 3.27Å; E124-Y131 PolarHBondContact O-N 3.41Å; Y131-F135 HydrophobicContact CD2-CZ 4.43Å; Y131-F135 HydrophobicContact CE2-CE2 4.22Å; Y131-F135 HydrophobicContact CE2-CZ 4.49Å; Y131-D152 WeakPolarHBondContact CE2-OD2 3.23Å; Y131-D152 PolarHBondContact OH-OD2 2.92Å
132	V	97.5	Very high	95.6	Very high	10 Å²	10	35.1 Å²	35.1	6%	0.061	18%	0.178	C	C	.	.	S	Bend	trans	-127.8	19.7	170.6	-65.8	0	0	0	0	111.6	I32 Q35 M36 L41 F42 P130 M134	I32-V132 HydrophobicContact CB-CG2 4.45Å; I32-V132 HydrophobicContact CG1-CG2 4.15Å; I32-V132 HydrophobicContact CG2-CG1 4.38Å; I32-V132 HydrophobicContact CG2-CG2 4.13Å; Q35-V132 HydrophobicContact CB-CB 4.43Å; Q35-V132 HydrophobicContact CB-CG2 4.22Å; Q35-V132 HydrophobicContact CG-CB 3.85Å; Q35-V132 HydrophobicContact CG-CG2 4Å; M36-V132 HydrophobicContact CE-CG1 3.98Å; M36-V132 HydrophobicContact CG-CG1 3.65Å; L41-V132 WeakPolarHBondContact CA-O 3.49Å; F42-V132 PolarHBondContact N-O 3.23Å; P130-V132 PolarHBondContact O-N 2.86Å; P130-V132 VanDerWaalsContact O-N 3.08Å; V132-M134 VanDerWaalsContact C-N 3.32Å; V132-M134 HydrophobicContact CG2-CB 4.04Å; V132-M134 HydrophobicContact CG2-CG 3.83Å; V132-M134 HydrophobicContact CG2-SD 3.68Å
133	G	97.8	Very high	95.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	70.4	23.9	-175.9	0	0	0	0	0	114	D151 D152	G133-D151 WeakPolarHBondContact O-CA 3.29Å; G133-D152 PolarHBondContact O-N 3.47Å
134	M	97.9	Very high	95.1	Very high	10 Å²	10	36.5 Å²	36.5	5%	0.049	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	133.8	177.8	-64.3	172.7	73.7	0	0	110	V10 F28 E31 Q35 F42 V132 V149	V10-M134 HydrophobicContact CG1-CE 4.45Å; V10-M134 HydrophobicContact CG2-CE 3.83Å; F28-M134 HydrophobicContact CE2-CB 4.17Å; F28-M134 HydrophobicContact CE2-CE 4.31Å; F28-M134 HydrophobicContact CZ-CB 4.17Å; E31-M134 HydrophobicContact CB-CE 4.02Å; Q35-M134 HydrophobicContact CB-SD 3.59Å; Q35-M134 VanDerWaalsContact CB-SD 3.59Å; Q35-M134 HydrophobicContact CG-SD 3.78Å; F42-M134 HydrophobicContact CB-CB 4.5Å; F42-M134 HydrophobicContact CB-CG 3.21Å; F42-M134 HydrophobicContact CB-SD 4.02Å; F42-M134 HydrophobicContact CD1-CG 3.59Å; F42-M134 HydrophobicContact CD2-CE 4.45Å; F42-M134 HydrophobicContact CD2-CG 4.16Å; F42-M134 HydrophobicContact CD2-SD 4.24Å; F42-M134 HydrophobicContact CE1-CG 4.47Å; F42-M134 HydrophobicContact CG-CG 3.41Å; F42-M134 VanDerWaalsContact CG-CG 3.41Å; F42-M134 HydrophobicContact CG-SD 4.07Å; V132-M134 VanDerWaalsContact C-N 3.32Å; V132-M134 HydrophobicContact CG2-CB 4.04Å; V132-M134 HydrophobicContact CG2-CG 3.83Å; V132-M134 HydrophobicContact CG2-SD 3.68Å; M134-V149 HydrophobicContact CB-CG1 4.18Å; M134-V149 HydrophobicContact CE-CG1 3.66Å; M134-V149 HydrophobicContact CG-CG1 4.42Å
135	F	98.4	Very high	95	Very high	2 Å²	2	32 Å²	32	1%	0.009	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	148.7	170.2	-68.7	-89	0	0	0	109.6	F79 Q121 F123 Y131 F137 V149 V150 D152 L176	F79-F135 HydrophobicContact CB-CE1 4.36Å; F79-F135 AromaticContact CD2-CD1 3.44Å; F79-F135 HydrophobicContact CD2-CD1 3.44Å; F79-F135 VanDerWaalsContact CD2-CD1 3.44Å; F79-F135 AromaticContact CD2-CE1 3.41Å; F79-F135 HydrophobicContact CD2-CE1 3.41Å; F79-F135 VanDerWaalsContact CD2-CE1 3.41Å; F79-F135 HydrophobicContact CD2-CG 4.49Å; F79-F135 HydrophobicContact CD2-CZ 4.45Å; F79-F135 AromaticContact CE2-CD1 3.44Å; F79-F135 HydrophobicContact CE2-CD1 3.44Å; F79-F135 VanDerWaalsContact CE2-CD1 3.44Å; F79-F135 AromaticContact CE2-CE1 3.94Å; F79-F135 HydrophobicContact CE2-CE1 3.94Å; F79-F135 HydrophobicContact CE2-CG 4.27Å; F79-F135 HydrophobicContact CG-CD1 4.36Å; F79-F135 HydrophobicContact CG-CE1 4.09Å; F79-F135 HydrophobicContact CZ-CD1 4.35Å; Q121-F135 HydrophobicContact CB-CD1 4.22Å; Q121-F135 HydrophobicContact CB-CE1 4.38Å; F123-F135 HydrophobicContact CD1-CE2 4.2Å; F123-F135 AromaticContact CD1-CZ 3.72Å; F123-F135 HydrophobicContact CD1-CZ 3.72Å; F123-F135 HydrophobicContact CD2-CZ 4.36Å; F123-F135 HydrophobicContact CE1-CE1 4.43Å; F123-F135 AromaticContact CE1-CE2 3.56Å; F123-F135 HydrophobicContact CE1-CE2 3.56Å; F123-F135 AromaticContact CE1-CZ 3.31Å; F123-F135 HydrophobicContact CE1-CZ 3.31Å; F123-F135 HydrophobicContact CE2-CE1 4.47Å; F123-F135 HydrophobicContact CE2-CZ 4.02Å; F123-F135 HydrophobicContact CG-CZ 4.22Å; F123-F135 HydrophobicContact CZ-CE1 4.22Å; F123-F135 AromaticContact CZ-CE2 3.95Å; F123-F135 HydrophobicContact CZ-CE2 3.95Å; F123-F135 AromaticContact CZ-CZ 3.47Å; F123-F135 HydrophobicContact CZ-CZ 3.47Å; F123-F135 VanDerWaalsContact CZ-CZ 3.47Å; Y131-F135 HydrophobicContact CD2-CZ 4.43Å; Y131-F135 HydrophobicContact CE2-CE2 4.22Å; Y131-F135 HydrophobicContact CE2-CZ 4.49Å; F135-F137 HydrophobicContact CB-CE2 4.07Å; F135-V149 CarbonylContact O-C 3.58Å; F135-V149 VanDerWaalsContact O-CA 3.28Å; F135-V149 WeakPolarHBondContact O-CA 3.42Å; F135-V150 HydrophobicContact CB-CG2 4.45Å; F135-V150 PolarHBondContact N-O 3.39Å; F135-V150 PolarHBondContact O-N 2.99Å; F135-D152 HydrophobicContact CD2-CB 3.8Å; F135-D152 HydrophobicContact CE2-CB 3.63Å; F135-L176 HydrophobicContact CB-CD1 4.3Å; F135-L176 HydrophobicContact CD1-CD1 4.02Å; F135-L176 HydrophobicContact CD2-CD1 3.73Å; F135-L176 HydrophobicContact CD2-CD2 4.39Å; F135-L176 HydrophobicContact CE1-CD1 4.29Å; F135-L176 HydrophobicContact CE2-CD1 4.03Å; F135-L176 HydrophobicContact CG-CD1 3.73Å; F135-L176 HydrophobicContact CZ-CD1 4.3Å
136	W	97.4	Very high	95.2	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.8	-169.3	163.9	52.1	0	0	0	110.9	L21 A25 F28 P118 Q121 R138 D147 V148 V149	L21-W136 HydrophobicContact CD1-CH2 3.6Å; L21-W136 HydrophobicContact CD1-CZ2 4.21Å; L21-W136 HydrophobicContact CD1-CZ3 4.47Å; A25-W136 HydrophobicContact CB-CH2 4.41Å; A25-W136 HydrophobicContact CB-CZ3 4.33Å; F28-W136 HydrophobicContact CB-CD2 4.21Å; F28-W136 HydrophobicContact CB-CE3 4.05Å; F28-W136 HydrophobicContact CD1-CB 4.07Å; F28-W136 HydrophobicContact CD1-CD2 4.35Å; F28-W136 AromaticContact CD1-CE3 3.83Å; F28-W136 HydrophobicContact CD1-CE3 3.83Å; F28-W136 HydrophobicContact CD1-CG 4.47Å; F28-W136 HydrophobicContact CD2-CB 3.68Å; F28-W136 HydrophobicContact CD2-CG 4.1Å; F28-W136 HydrophobicContact CE1-CB 3.93Å; F28-W136 HydrophobicContact CE1-CE3 4.5Å; F28-W136 HydrophobicContact CE2-CB 3.56Å; F28-W136 HydrophobicContact CE2-CG 4.45Å; F28-W136 HydrophobicContact CG-CB 3.94Å; F28-W136 HydrophobicContact CG-CD2 4.15Å; F28-W136 HydrophobicContact CG-CE3 4Å; F28-W136 HydrophobicContact CG-CG 4.12Å; F28-W136 HydrophobicContact CZ-CB 3.69Å; P118-W136 HydrophobicContact CB-CD2 4.36Å; P118-W136 HydrophobicContact CB-CE3 3.57Å; P118-W136 HydrophobicContact CB-CH2 3.71Å; P118-W136 HydrophobicContact CB-CZ2 4.4Å; P118-W136 HydrophobicContact CB-CZ3 3.22Å; P118-W136 WeakPolarHBondContact CD-O 3.26Å; P118-W136 HydrophobicContact CG-CD2 3.77Å; P118-W136 HydrophobicContact CG-CE3 3.47Å; P118-W136 VanDerWaalsContact CG-CE3 3.47Å; P118-W136 HydrophobicContact CG-CH2 3.35Å; P118-W136 HydrophobicContact CG-CZ2 3.57Å; P118-W136 HydrophobicContact CG-CZ3 3.29Å; Q121-W136 PolarHBondContact NE2-O 3.48Å; Q121-W136 PolarHBondContact OE1-O 2.94Å; W136-R138 HydrophobicContact CH2-CG 4.39Å; W136-R138 HydrophobicContact CZ2-CG 3.42Å; W136-R138 VanDerWaalsContact CZ2-CG 3.42Å; W136-D147 WeakPolarHBondContact CZ2-OD1 3.3Å; W136-D147 VanDerWaalsContact NE1-CG 3.26Å; W136-D147 PolarHBondContact NE1-OD1 3.47Å; W136-V148 WeakPolarHBondContact CA-O 3.41Å; W136-V149 HydrophobicContact CB-CG2 4.12Å; W136-V149 HydrophobicContact CG-CG2 4.42Å
137	F	98.2	Very high	95.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	158.5	178.3	-59.2	-86	0	0	0	109.5	F79 V116 V117 F135 F139 D147 V148 V150 L176 L177 A180	F79-F137 HydrophobicContact CE2-CE1 4.45Å; F79-F137 AromaticContact CE2-CZ 4Å; F79-F137 HydrophobicContact CE2-CZ 4Å; F79-F137 HydrophobicContact CZ-CE1 4Å; F79-F137 AromaticContact CZ-CZ 3.99Å; F79-F137 HydrophobicContact CZ-CZ 3.99Å; V116-F137 CarbonylContact O-C 3.45Å; V116-F137 VanDerWaalsContact O-CA 3.31Å; V116-F137 WeakPolarHBondContact O-CA 3.17Å; V117-F137 HydrophobicContact CB-CD1 4.47Å; V117-F137 HydrophobicContact CG1-CD1 4.49Å; V117-F137 HydrophobicContact CG1-CE1 4.11Å; V117-F137 HydrophobicContact CG2-CD1 3.97Å; V117-F137 HydrophobicContact CG2-CE1 4.05Å; F135-F137 HydrophobicContact CB-CE2 4.07Å; F137-F139 HydrophobicContact CB-CE2 3.81Å; F137-F139 HydrophobicContact CB-CZ 3.85Å; F137-D147 WeakPolarHBondContact O-CA 3.38Å; F137-V148 PolarHBondContact N-O 2.89Å; F137-V148 PolarHBondContact O-N 2.88Å; F137-V150 HydrophobicContact CD2-CG2 4.37Å; F137-V150 HydrophobicContact CE2-CG2 4.06Å; F137-L176 HydrophobicContact CE2-CB 3.84Å; F137-L176 WeakPolarHBondContact CE2-O 2.91Å; F137-L176 HydrophobicContact CZ-CB 3.61Å; F137-L177 HydrophobicContact CD1-CB 3.87Å; F137-L177 HydrophobicContact CD1-CD1 4.07Å; F137-L177 HydrophobicContact CD1-CG 4.12Å; F137-L177 HydrophobicContact CE1-CB 3.58Å; F137-L177 HydrophobicContact CE1-CD1 4.36Å; F137-L177 HydrophobicContact CE1-CG 4.33Å; F137-L177 HydrophobicContact CZ-CB 4.06Å; F137-L177 VanDerWaalsContact CZ-N 3.33Å; F137-A180 HydrophobicContact CB-CB 4.04Å; F137-A180 HydrophobicContact CD2-CB 3.34Å; F137-A180 HydrophobicContact CE2-CB 4.06Å; F137-A180 HydrophobicContact CG-CB 3.9Å
138	R	97.3	Very high	95.6	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.008	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	138.7	175.9	-34.9	-179.8	64.3	-138.8	-4.3	110.2	S18 S20 L21 S24 Q115 V116 P118 W136 W145 Y146 D147	S18-R138 PolarHBondContact OG-NH2 2.95Å; S20-R138 VanDerWaalsContact C-NH2 3.33Å; S20-R138 PolarHBondContact O-NH2 3.32Å; L21-R138 VanDerWaalsContact CD1-CD 3.47Å; S24-R138 PolarHBondContact OG-NE 3Å; S24-R138 PolarHBondContact OG-NH2 3.48Å; Q115-R138 VanDerWaalsContact O-CB 3.22Å; Q115-R138 WeakPolarHBondContact O-CB 3.48Å; Q115-R138 WeakPolarHBondContact O-CD 3.45Å; Q115-R138 VanDerWaalsContact O-CG 3.25Å; Q115-R138 WeakPolarHBondContact O-CG 3.42Å; V116-R138 WeakPolarHBondContact CA-O 3.31Å; V116-R138 WeakPolarHBondContact CG1-O 3.4Å; V116-R138 PolarHBondContact O-N 2.89Å; P118-R138 HydrophobicContact CG-CG 4.03Å; W136-R138 HydrophobicContact CH2-CG 4.39Å; W136-R138 HydrophobicContact CZ2-CG 3.42Å; W136-R138 VanDerWaalsContact CZ2-CG 3.42Å; R138-W145 HydrophobicContact CB-CE3 3.94Å; R138-W145 HydrophobicContact CB-CZ3 4.26Å; R138-Y146 CarbonylContact C-O 3.58Å; R138-Y146 VanDerWaalsContact CA-O 3.31Å; R138-Y146 WeakPolarHBondContact CA-O 3.38Å; R138-D147 VanDerWaalsContact CG-OD1 3.29Å; R138-D147 WeakPolarHBondContact CG-OD1 3.44Å; R138-D147 IonicContact NE-OD1 3.02Å; R138-D147 PolarHBondContact NE-OD1 3.25Å
139	F	96.3	Very high	95.9	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	136.3	175.7	-55.6	-74.6	0	0	0	109.4	V116 F137 Y146 V148 L177 A180 Y181 L184 D202 F203	V116-F139 HydrophobicContact CG1-CD1 4.22Å; V116-F139 HydrophobicContact CG1-CE1 3.93Å; F137-F139 HydrophobicContact CB-CE2 3.81Å; F137-F139 HydrophobicContact CB-CZ 3.85Å; F139-Y146 PolarHBondContact N-O 3.38Å; F139-Y146 PolarHBondContact O-N 3.11Å; F139-V148 HydrophobicContact CD2-CB 4.23Å; F139-V148 HydrophobicContact CD2-CG2 3.66Å; F139-V148 HydrophobicContact CE2-CB 4.09Å; F139-V148 HydrophobicContact CE2-CG2 4Å; F139-L177 HydrophobicContact CE1-CG 4.39Å; F139-L177 HydrophobicContact CZ-CG 4.31Å; F139-A180 HydrophobicContact CE2-CB 3.91Å; F139-A180 HydrophobicContact CZ-CB 4.09Å; F139-Y181 AromaticContact CD1-CD2 3.71Å; F139-Y181 HydrophobicContact CD1-CD2 3.71Å; F139-Y181 HydrophobicContact CD1-CE2 4.17Å; F139-Y181 HydrophobicContact CD2-CD2 4.47Å; F139-Y181 AromaticContact CE1-CD2 3.68Å; F139-Y181 HydrophobicContact CE1-CD2 3.68Å; F139-Y181 HydrophobicContact CE1-CG 4.26Å; F139-Y181 HydrophobicContact CE2-CD2 4.42Å; F139-Y181 HydrophobicContact CG-CD2 4.12Å; F139-Y181 HydrophobicContact CZ-CD2 4.04Å; F139-Y181 HydrophobicContact CZ-CG 4.43Å; F139-L184 HydrophobicContact CB-CD2 3.52Å; F139-L184 HydrophobicContact CD2-CD2 3.72Å; F139-L184 HydrophobicContact CG-CD2 3.72Å; F139-D202 CarbonylContact C-O 3.58Å; F139-D202 WeakPolarHBondContact CA-O 3.32Å; F139-F203 AromaticContact CD1-CD1 3.91Å; F139-F203 HydrophobicContact CD1-CD1 3.91Å; F139-F203 AromaticContact CD1-CE1 3.86Å; F139-F203 HydrophobicContact CD1-CE1 3.86Å; F139-F203 HydrophobicContact CE1-CD1 4.11Å; F139-F203 AromaticContact CE1-CE1 3.71Å; F139-F203 HydrophobicContact CE1-CE1 3.71Å
140	W	94.2	Very high	96	Very high	11 Å²	11	13.9 Å²	13.9	4%	0.042	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	131.6	166.5	-174	93.2	0	0	0	108.8	G143 D144 W145 D202 M418 M499	W140-G143 VanDerWaalsContact CE2-N 3.29Å; W140-G143 VanDerWaalsContact CZ2-CA 3.41Å; W140-D144 CarbonylContact C-O 3.5Å; W140-D144 WeakPolarHBondContact CA-O 3.35Å; W140-W145 HydrophobicContact CB-CD2 4.23Å; W140-W145 HydrophobicContact CB-CE3 4.3Å; W140-W145 HydrophobicContact CB-CH2 4.25Å; W140-W145 HydrophobicContact CB-CZ2 4.15Å; W140-W145 HydrophobicContact CB-CZ3 4.31Å; W140-W145 AromaticContact CD1-NE1 3.8Å; W140-D202 PolarHBondContact N-O 3.45Å; W140-D202 VanDerWaalsContact O-CA 3.29Å; W140-D202 WeakPolarHBondContact O-CA 3.48Å; W140-M418 HydrophobicContact CH2-CE 4.17Å; W140-M418 HydrophobicContact CH2-SD 4.16Å; W140-M418 HydrophobicContact CZ3-CE 3.97Å; W140-M418 HydrophobicContact CZ3-SD 3.96Å; W140-M499 HydrophobicContact CH2-SD 4.09Å; W140-M499 HydrophobicContact CZ2-SD 4.22Å
141	R	92.6	Very high	96.1	Very high	10 Å²	10	12.4 Å²	12.4	4%	0.038	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	111.7	174.5	-64.5	-64.9	-71.6	-171.2	0.4	109.2	G143 D144 Y146 L184 D202 E424	R141-G143 VanDerWaalsContact C-N 3.27Å; R141-G143 PolarHBondContact O-N 3.08Å; R141-D144 PolarHBondContact N-O 3.08Å; R141-D144 PolarHBondContact O-N 3.34Å; R141-Y146 HydrophobicContact CB-CD2 3.74Å; R141-Y146 HydrophobicContact CB-CE2 3.91Å; R141-Y146 HydrophobicContact CG-CD2 4.2Å; R141-L184 HydrophobicContact CG-CD1 4.25Å; R141-L184 HydrophobicContact CG-CD2 3.8Å; R141-L184 HydrophobicContact CG-CG 4.39Å; R141-D202 IonicContact CZ-OD2 3.82Å; R141-D202 IonicContact NH1-OD1 2.88Å; R141-D202 IonicContact NH1-OD2 2.72Å; R141-D202 PolarHBondContact NH1-OD2 2.76Å; R141-E424 IonicContact CZ-OE1 3.07Å; R141-E424 IonicContact NH2-OE1 2.78Å; R141-E424 PolarHBondContact NH2-OE1 2.92Å; R141-E424 IonicContact NH2-OE2 3.56Å; R141-E424 PolarHBondContact NH2-OE2 2.98Å
142	F	91.5	Very high	96.1	Very high	24 Å²	24	11.1 Å²	11.1	11%	0.105	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	45.7	167.9	-45.2	-60.7	0	0	0	113.1	M418 K420 G421 M499	F142-M418 HydrophobicContact CD1-CG 4.36Å; F142-M418 HydrophobicContact CD1-SD 3.69Å; F142-M418 HydrophobicContact CE1-SD 4.08Å; F142-K420 HydrophobicContact CB-CD 3.84Å; F142-K420 HydrophobicContact CB-CG 4.1Å; F142-K420 HydrophobicContact CD1-CB 4.04Å; F142-K420 HydrophobicContact CD1-CD 4.4Å; F142-K420 HydrophobicContact CD1-CG 3.7Å; F142-K420 HydrophobicContact CD2-CB 4.35Å; F142-K420 HydrophobicContact CD2-CG 4.48Å; F142-K420 HydrophobicContact CE1-CB 4.13Å; F142-K420 HydrophobicContact CE1-CG 4.25Å; F142-K420 HydrophobicContact CE2-CB 4.42Å; F142-K420 HydrophobicContact CG-CB 4.16Å; F142-K420 HydrophobicContact CG-CD 4.07Å; F142-K420 HydrophobicContact CG-CG 3.85Å; F142-K420 HydrophobicContact CZ-CB 4.32Å; F142-G421 VanDerWaalsContact CZ-N 3.28Å; F142-M499 WeakPolarHBondContact O-CE 3.18Å
143	G	89.3	Confident	96.1	Very high	28 Å²	28	12.2 Å²	12.2	29%	0.289	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.6	-19.5	176.9	0	0	0	0	0	115.4	W140 R141	W140-G143 VanDerWaalsContact CE2-N 3.29Å; W140-G143 VanDerWaalsContact CZ2-CA 3.41Å; R141-G143 VanDerWaalsContact C-N 3.27Å; R141-G143 PolarHBondContact O-N 3.08Å
144	D	91.5	Very high	96.1	Very high	47 Å²	47	12.3 Å²	12.3	25%	0.251	6%	0.061	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.7	-169.8	-66.5	-55.5	0	0	0	112.2	K17 W140 R141 Y146	K17-D144 HydrophobicContact CD-CB 4.24Å; K17-D144 WeakPolarHBondContact CE-OD1 3.42Å; K17-D144 WeakPolarHBondContact CE-OD2 3.44Å; K17-D144 HydrophobicContact CG-CB 4.45Å; K17-D144 IonicContact NZ-OD1 2.67Å; K17-D144 PolarHBondContact NZ-OD1 3.21Å; K17-D144 IonicContact NZ-OD2 3.5Å; K17-D144 PolarHBondContact NZ-OD2 2.67Å; W140-D144 CarbonylContact C-O 3.5Å; W140-D144 WeakPolarHBondContact CA-O 3.35Å; R141-D144 PolarHBondContact N-O 3.08Å; R141-D144 PolarHBondContact O-N 3.34Å; D144-Y146 HydrophobicContact CB-CD2 4.28Å; D144-Y146 HydrophobicContact CB-CE2 3.58Å; D144-Y146 WeakPolarHBondContact O-CD2 3.45Å
145	W	93.5	Very high	96	Very high	28 Å²	28	12 Å²	12	11%	0.106	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	131.9	171.3	-72.9	90.4	0	0	0	111.2	S18 Q115 V116 R138 W140	S18-W145 PolarHBondContact N-O 3.13Å; Q115-W145 HydrophobicContact CB-CH2 4.17Å; Q115-W145 HydrophobicContact CB-CZ3 4.47Å; V116-W145 HydrophobicContact CG2-CZ3 4.49Å; R138-W145 HydrophobicContact CB-CE3 3.94Å; R138-W145 HydrophobicContact CB-CZ3 4.26Å; W140-W145 HydrophobicContact CB-CD2 4.23Å; W140-W145 HydrophobicContact CB-CE3 4.3Å; W140-W145 HydrophobicContact CB-CH2 4.25Å; W140-W145 HydrophobicContact CB-CZ2 4.15Å; W140-W145 HydrophobicContact CB-CZ3 4.31Å; W140-W145 AromaticContact CD1-NE1 3.8Å
146	Y	95.8	Very high	95.9	Very high	57 Å²	57	12 Å²	12	22%	0.224	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.1	177.1	-69.2	-91.5	0	0	0	111.1	H16 K17 R138 F139 R141 D144	H16-Y146 CarbonylContact O-C 3.55Å; H16-Y146 WeakPolarHBondContact O-CA 3.33Å; K17-Y146 HydrophobicContact CB-CD1 4.04Å; K17-Y146 HydrophobicContact CB-CE1 3.76Å; K17-Y146 HydrophobicContact CG-CE1 4.32Å; R138-Y146 CarbonylContact C-O 3.58Å; R138-Y146 VanDerWaalsContact CA-O 3.31Å; R138-Y146 WeakPolarHBondContact CA-O 3.38Å; F139-Y146 PolarHBondContact N-O 3.38Å; F139-Y146 PolarHBondContact O-N 3.11Å; R141-Y146 HydrophobicContact CB-CD2 3.74Å; R141-Y146 HydrophobicContact CB-CE2 3.91Å; R141-Y146 HydrophobicContact CG-CD2 4.2Å; D144-Y146 HydrophobicContact CB-CD2 4.28Å; D144-Y146 HydrophobicContact CB-CE2 3.58Å; D144-Y146 WeakPolarHBondContact O-CD2 3.45Å
147	D	97.5	Very high	95.6	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	128.2	171.2	-62.1	-55.1	0	0	0	110.2	T15 H16 S18 S24 W27 W136 F137 R138	T15-D147 WeakPolarHBondContact CA-O 3.49Å; H16-D147 HydrophobicContact CB-CB 4.16Å; H16-D147 IonicContact CD2-OD2 3.88Å; H16-D147 PolarHBondContact CD2-OD2 3.34Å; H16-D147 PolarHBondContact N-O 3.35Å; H16-D147 PolarHBondContact O-N 3.07Å; S18-D147 WeakPolarHBondContact CB-OD2 3.48Å; S18-D147 PolarHBondContact OG-OD2 3.21Å; S24-D147 VanDerWaalsContact CB-OD1 3.25Å; S24-D147 WeakPolarHBondContact CB-OD1 3.4Å; S24-D147 VanDerWaalsContact CB-OD2 3.3Å; S24-D147 WeakPolarHBondContact CB-OD2 3.45Å; S24-D147 PolarHBondContact OG-OD1 2.81Å; S24-D147 PolarHBondContact OG-OD2 3.4Å; W27-D147 HydrophobicContact CE3-CB 4.18Å; W27-D147 HydrophobicContact CH2-CB 4.3Å; W27-D147 HydrophobicContact CZ3-CB 3.65Å; W136-D147 WeakPolarHBondContact CZ2-OD1 3.3Å; W136-D147 VanDerWaalsContact NE1-CG 3.26Å; W136-D147 PolarHBondContact NE1-OD1 3.47Å; F137-D147 WeakPolarHBondContact O-CA 3.38Å; R138-D147 VanDerWaalsContact CG-OD1 3.29Å; R138-D147 WeakPolarHBondContact CG-OD1 3.44Å; R138-D147 IonicContact NE-OD1 3.02Å; R138-D147 PolarHBondContact NE-OD1 3.25Å
148	V	98	Very high	95.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116.7	179.1	-173.3	0	0	0	0	108.5	T15 W136 F137 F139 A180 K183 L184	T15-V148 HydrophobicContact CG2-CG2 3.97Å; W136-V148 WeakPolarHBondContact CA-O 3.41Å; F137-V148 PolarHBondContact N-O 2.89Å; F137-V148 PolarHBondContact O-N 2.88Å; F139-V148 HydrophobicContact CD2-CB 4.23Å; F139-V148 HydrophobicContact CD2-CG2 3.66Å; F139-V148 HydrophobicContact CE2-CB 4.09Å; F139-V148 HydrophobicContact CE2-CG2 4Å; V148-A180 HydrophobicContact CB-CB 4.42Å; V148-A180 HydrophobicContact CG1-CB 4.1Å; V148-K183 HydrophobicContact CG1-CB 4.34Å; V148-K183 HydrophobicContact CG1-CD 3.87Å; V148-K183 HydrophobicContact CG1-CG 4.03Å; V148-L184 HydrophobicContact CG2-CB 4.46Å; V148-L184 HydrophobicContact CG2-CD1 4.01Å
149	V	98.2	Very high	95	Very high	3 Å²	3	26 Å²	26	2%	0.018	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	132.7	175	176.4	0	0	0	0	109.1	V10 W27 F28 F42 M134 F135 W136 K183	V10-V149 HydrophobicContact CB-CB 4.48Å; V10-V149 HydrophobicContact CG1-CB 3.82Å; V10-V149 HydrophobicContact CG1-CG1 4.23Å; V10-V149 HydrophobicContact CG1-CG2 3.76Å; W27-V149 HydrophobicContact CH2-CG2 3.67Å; W27-V149 HydrophobicContact CZ3-CG2 3.84Å; F28-V149 HydrophobicContact CD2-CG2 3.89Å; F28-V149 HydrophobicContact CE2-CG1 4.21Å; F28-V149 HydrophobicContact CE2-CG2 3.9Å; F42-V149 HydrophobicContact CE1-CG1 4.11Å; M134-V149 HydrophobicContact CB-CG1 4.18Å; M134-V149 HydrophobicContact CE-CG1 3.66Å; M134-V149 HydrophobicContact CG-CG1 4.42Å; F135-V149 CarbonylContact O-C 3.58Å; F135-V149 VanDerWaalsContact O-CA 3.28Å; F135-V149 WeakPolarHBondContact O-CA 3.42Å; W136-V149 HydrophobicContact CB-CG2 4.12Å; W136-V149 HydrophobicContact CG-CG2 4.42Å; V149-K183 PolarHBondContact O-NZ 3.47Å
150	V	98.5	Very high	94.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	152.7	173.7	-70.9	0	0	0	0	110.4	F135 F137 K179 A180 K183	F135-V150 HydrophobicContact CB-CG2 4.45Å; F135-V150 PolarHBondContact N-O 3.39Å; F135-V150 PolarHBondContact O-N 2.99Å; F137-V150 HydrophobicContact CD2-CG2 4.37Å; F137-V150 HydrophobicContact CE2-CG2 4.06Å; V150-K179 HydrophobicContact CB-CD 4.27Å; V150-K179 HydrophobicContact CB-CG 4.44Å; V150-K179 HydrophobicContact CG1-CG 4.19Å; V150-A180 HydrophobicContact CG1-CB 3.88Å; V150-A180 HydrophobicContact CG2-CB 4.18Å; V150-K183 HydrophobicContact CG1-CB 4.16Å; V150-K183 HydrophobicContact CG1-CD 3.77Å
151	D	98.4	Very high	95	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	162.4	160	73.6	57.1	0	0	0	111.6	F42 D44 G133 R153 K179	F42-D151 HydrophobicContact CD1-CB 3.73Å; F42-D151 HydrophobicContact CE1-CB 4.34Å; F42-D151 WeakPolarHBondContact O-CB 3.36Å; D44-D151 HydrophobicContact CB-CB 4.34Å; D44-D151 VanDerWaalsContact CB-OD2 3.28Å; D44-D151 WeakPolarHBondContact CB-OD2 3.28Å; D44-D151 PolarHBondContact N-OD2 2.85Å; G133-D151 WeakPolarHBondContact O-CA 3.29Å; D151-R153 VanDerWaalsContact C-N 3.35Å; D151-R153 VanDerWaalsContact CG-NE 3.34Å; D151-R153 PolarHBondContact O-N 3.25Å; D151-R153 WeakPolarHBondContact OD1-CB 3.49Å; D151-R153 WeakPolarHBondContact OD1-CG 3.24Å; D151-R153 PolarHBondContact OD1-N 3.33Å; D151-R153 IonicContact OD1-NE 3.24Å; D151-R153 PolarHBondContact OD1-NE 2.74Å; D151-R153 IonicContact OD2-CZ 3.28Å; D151-R153 VanDerWaalsContact OD2-CZ 3.28Å; D151-R153 IonicContact OD2-NE 3.71Å; D151-R153 PolarHBondContact OD2-NE 2.92Å; D151-R153 VanDerWaalsContact OD2-NE 3.11Å; D151-R153 IonicContact OD2-NH2 3.74Å; D151-R153 PolarHBondContact OD2-NH2 3.42Å; D151-K179 PolarHBondContact O-NZ 3.47Å; D151-K179 IonicContact OD1-NZ 2.86Å; D151-K179 PolarHBondContact OD1-NZ 2.78Å; D151-K179 IonicContact OD2-NZ 2.68Å
152	D	98.4	Very high	95	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	S	Bend	trans	-88.4	12.4	-177.4	69.3	-13.8	0	0	0	115.1	R69 P70 F123 Y131 G133 F135 L154 L176	R69-D152 WeakPolarHBondContact CD-OD1 3.29Å; R69-D152 WeakPolarHBondContact CG-OD1 3.42Å; R69-D152 IonicContact CZ-OD1 3.25Å; R69-D152 IonicContact NE-OD1 3.4Å; R69-D152 IonicContact NH1-OD1 2.65Å; R69-D152 PolarHBondContact NH1-OD1 3.13Å; P70-D152 WeakPolarHBondContact CD-O 3.38Å; P70-D152 HydrophobicContact CG-CB 4.36Å; F123-D152 HydrophobicContact CE1-CB 4.48Å; Y131-D152 WeakPolarHBondContact CE2-OD2 3.23Å; Y131-D152 PolarHBondContact OH-OD2 2.92Å; G133-D152 PolarHBondContact O-N 3.47Å; F135-D152 HydrophobicContact CD2-CB 3.8Å; F135-D152 HydrophobicContact CE2-CB 3.63Å; D152-L154 PolarHBondContact O-N 3.04Å; D152-L176 HydrophobicContact CB-CD2 3.89Å
153	R	98.1	Very high	95.1	Very high	33 Å²	33	33.1 Å²	33.1	13%	0.125	17%	0.173	C	C	.	.			trans	-72	119.9	172.9	-60.9	174.6	-72.3	-168.2	1.7	109.2	E43 A49 W67 R69 D151 K179	E43-R153 VanDerWaalsContact CA-NH2 3.34Å; E43-R153 IonicContact OE1-NH1 3.78Å; E43-R153 IonicContact OE2-CZ 3.7Å; E43-R153 IonicContact OE2-NH1 3.45Å; E43-R153 PolarHBondContact OE2-NH1 3.21Å; E43-R153 IonicContact OE2-NH2 3.41Å; A49-R153 HydrophobicContact CB-CB 4.32Å; W67-R153 HydrophobicContact CB-CB 4.32Å; W67-R153 HydrophobicContact CE3-CB 4.19Å; W67-R153 VanDerWaalsContact CE3-O 3.28Å; W67-R153 WeakPolarHBondContact CZ3-O 3.43Å; R69-R153 HydrophobicContact CG-CG 3.78Å; D151-R153 VanDerWaalsContact C-N 3.35Å; D151-R153 VanDerWaalsContact CG-NE 3.34Å; D151-R153 PolarHBondContact O-N 3.25Å; D151-R153 WeakPolarHBondContact OD1-CB 3.49Å; D151-R153 WeakPolarHBondContact OD1-CG 3.24Å; D151-R153 PolarHBondContact OD1-N 3.33Å; D151-R153 IonicContact OD1-NE 3.24Å; D151-R153 PolarHBondContact OD1-NE 2.74Å; D151-R153 IonicContact OD2-CZ 3.28Å; D151-R153 VanDerWaalsContact OD2-CZ 3.28Å; D151-R153 IonicContact OD2-NE 3.71Å; D151-R153 PolarHBondContact OD2-NE 2.92Å; D151-R153 VanDerWaalsContact OD2-NE 3.11Å; D151-R153 IonicContact OD2-NH2 3.74Å; D151-R153 PolarHBondContact OD2-NH2 3.42Å; R153-K179 PolarHBondContact O-NZ 2.93Å
154	L	97.8	Very high	95.4	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.016	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	145.3	-177.7	-67.9	167	0	0	0	111.2	W67 L68 P70 D152 T156 L161 F172 A175 L176 K179	W67-L154 WeakPolarHBondContact CA-O 3.37Å; L68-L154 PolarHBondContact N-O 3.35Å; L68-L154 PolarHBondContact O-N 2.86Å; P70-L154 HydrophobicContact CG-CD1 4.28Å; D152-L154 PolarHBondContact O-N 3.04Å; L154-T156 PolarHBondContact O-N 3.46Å; L154-L161 HydrophobicContact CB-CD2 3.52Å; L154-L161 HydrophobicContact CD1-CD2 3.72Å; L154-L161 HydrophobicContact CG-CD2 4.22Å; L154-F172 HydrophobicContact CD1-CD1 3.98Å; L154-A175 HydrophobicContact CD1-CB 3.79Å; L154-A175 HydrophobicContact CD2-CB 4.07Å; L154-L176 HydrophobicContact CD1-CD2 4.32Å; L154-L176 HydrophobicContact CD2-CD2 4.08Å; L154-L176 HydrophobicContact CG-CD2 4.28Å; L154-K179 HydrophobicContact CD2-CB 4.4Å; L154-K179 HydrophobicContact CD2-CD 4.28Å
155	P	95.9	Very high	95.5	Very high	4 Å²	4	32.5 Å²	32.5	3%	0.026	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	125.4	174.4	-22	34.6	0	0	0	112	I54 Y65 W67 V162 F163 Y188	I54-P155 HydrophobicContact CD1-CB 3.97Å; I54-P155 HydrophobicContact CD1-CG 4.03Å; I54-P155 HydrophobicContact CG1-CG 4.48Å; Y65-P155 HydrophobicContact CD1-CB 4.23Å; W67-P155 HydrophobicContact CD2-CG 4.3Å; W67-P155 HydrophobicContact CE3-CG 4.08Å; W67-P155 HydrophobicContact CH2-CG 3.69Å; W67-P155 HydrophobicContact CZ2-CG 3.89Å; W67-P155 HydrophobicContact CZ3-CG 3.77Å; P155-V162 PolarHBondContact O-N 3.22Å; P155-F163 HydrophobicContact CB-CD2 4.1Å; P155-F163 HydrophobicContact CB-CE2 3.84Å; P155-F163 HydrophobicContact CG-CD2 3.91Å; P155-F163 HydrophobicContact CG-CE2 3.72Å; P155-Y188 HydrophobicContact CG-CE2 4.09Å
156	T	95.3	Very high	95.4	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	154.3	179.9	69.5	0	0	0	0	112.4	R66 L68 L73 L154 H160 L161	R66-T156 PolarHBondContact N-O 2.94Å; R66-T156 WeakPolarHBondContact O-CA 3.32Å; R66-T156 WeakPolarHBondContact O-CB 3.4Å; R66-T156 PolarHBondContact O-N 3.1Å; R66-T156 PolarHBondContact O-OG1 3.08Å; L68-T156 HydrophobicContact CB-CG2 4.13Å; L68-T156 HydrophobicContact CD1-CG2 4.34Å; L68-T156 HydrophobicContact CG-CG2 4.44Å; L73-T156 HydrophobicContact CD1-CG2 3.93Å; L73-T156 HydrophobicContact CD2-CG2 4.06Å; L154-T156 PolarHBondContact O-N 3.46Å; T156-H160 CarbonylContact C-O 3.48Å; T156-H160 WeakPolarHBondContact CA-O 3.44Å; T156-H160 VanDerWaalsContact CB-O 3.23Å; T156-H160 WeakPolarHBondContact CB-O 3.44Å; T156-L161 HydrophobicContact CG2-CD2 4.17Å
157	R	92.2	Very high	94.9	Very high	107 Å²	107	32 Å²	32	40%	0.404	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	129.2	168.2	-168.9	171.8	70.6	-150.5	1.1	108.6	E93 G159 H160 V162	E93-R157 IonicContact OE1-CZ 3.02Å; E93-R157 IonicContact OE1-NH1 3.44Å; E93-R157 PolarHBondContact OE1-NH1 2.91Å; E93-R157 IonicContact OE1-NH2 2.61Å; E93-R157 PolarHBondContact OE1-NH2 3.32Å; E93-R157 IonicContact OE2-NH1 3.57Å; E93-R157 PolarHBondContact OE2-NH1 3.39Å; R157-G159 PolarHBondContact O-N 3.44Å; R157-G159 VanDerWaalsContact O-N 3.14Å; R157-H160 PolarHBondContact N-O 2.99Å; R157-H160 PolarHBondContact O-N 2.96Å; R157-V162 HydrophobicContact CB-CG2 3.59Å; R157-V162 VanDerWaalsContact N-CG2 3.32Å
158	N	91.4	Very high	94.6	Very high	148 Å²	148	34.9 Å²	34.9	79%	0.791	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	32.8	-178	-55.7	-28.1	0	0	0	113.8	H160	N158-H160 VanDerWaalsContact C-N 3.33Å; N158-H160 PolarHBondContact O-CD2 3.47Å; N158-H160 VanDerWaalsContact O-CD2 3.27Å
159	G	90.8	Very high	94.3	Very high	42 Å²	42	39.2 Å²	39.2	43%	0.433	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	7.7	-179.3	0	0	0	0	0	115.1	L73 R157	L73-G159 WeakPolarHBondContact CD2-O 3.25Å; R157-G159 PolarHBondContact O-N 3.44Å; R157-G159 VanDerWaalsContact O-N 3.14Å
160	H	93.9	Very high	94.1	Very high	139 Å²	139	41.4 Å²	41.4	64%	0.644	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	146.3	176.4	-61.4	-80.3	0	0	0	110.9	T156 R157 N158	T156-H160 CarbonylContact C-O 3.48Å; T156-H160 WeakPolarHBondContact CA-O 3.44Å; T156-H160 VanDerWaalsContact CB-O 3.23Å; T156-H160 WeakPolarHBondContact CB-O 3.44Å; R157-H160 PolarHBondContact N-O 2.99Å; R157-H160 PolarHBondContact O-N 2.96Å; N158-H160 VanDerWaalsContact C-N 3.33Å; N158-H160 PolarHBondContact O-CD2 3.47Å; N158-H160 VanDerWaalsContact O-CD2 3.27Å
161	L	95.5	Very high	94	Very high	37 Å²	37	41.7 Å²	41.7	19%	0.194	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	139.2	171.1	-66.7	174.1	0	0	0	109.8	L73 L154 T156 H165 F172 A175	L73-L161 HydrophobicContact CD1-CD2 4.05Å; L73-L161 HydrophobicContact CD1-CG 4.49Å; L154-L161 HydrophobicContact CB-CD2 3.52Å; L154-L161 HydrophobicContact CD1-CD2 3.72Å; L154-L161 HydrophobicContact CG-CD2 4.22Å; T156-L161 HydrophobicContact CG2-CD2 4.17Å; L161-H165 HydrophobicContact CB-CB 4.15Å; L161-H165 HydrophobicContact CD1-CB 3.73Å; L161-F172 HydrophobicContact CD1-CD1 4.14Å; L161-F172 HydrophobicContact CD1-CE1 4.07Å; L161-A175 HydrophobicContact CD1-CB 4.12Å
162	V	93.5	Very high	94	Very high	11 Å²	11	41.9 Å²	41.9	7%	0.067	23%	0.234	C	C	.	.	S	Bend	trans	-98.8	-24.9	-177.1	-169.7	0	0	0	0	112.7	Y65 G92 E93 P155 R157	Y65-V162 HydrophobicContact CD1-CG2 4.09Å; Y65-V162 HydrophobicContact CE1-CB 4.26Å; Y65-V162 HydrophobicContact CE1-CG1 3.99Å; Y65-V162 HydrophobicContact CE1-CG2 4.17Å; G92-V162 CarbonylContact C-O 3.21Å; G92-V162 WeakPolarHBondContact CA-O 3.31Å; E93-V162 HydrophobicContact CB-CG1 3.98Å; E93-V162 HydrophobicContact CG-CG1 3.57Å; E93-V162 PolarHBondContact N-O 3.13Å; E93-V162 WeakPolarHBondContact OE2-CG1 3.38Å; P155-V162 PolarHBondContact O-N 3.22Å; R157-V162 HydrophobicContact CB-CG2 3.59Å; R157-V162 VanDerWaalsContact N-CG2 3.32Å
163	F	94.5	Very high	93.9	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.026	23%	0.234	C	C	.	.	S	Bend	trans	-107.3	-146.5	-178.5	-54.5	-43.8	0	0	0	111	I54 Y65 L94 P155 H165 E178 Y188	I54-F163 HydrophobicContact CD1-CE2 4.27Å; I54-F163 HydrophobicContact CD1-CZ 4.42Å; I54-F163 HydrophobicContact CG1-CE2 4.26Å; I54-F163 HydrophobicContact CG1-CZ 4.5Å; I54-F163 HydrophobicContact CG2-CE2 4.24Å; I54-F163 HydrophobicContact CG2-CZ 3.7Å; Y65-F163 HydrophobicContact CE1-CZ 4.43Å; L94-F163 HydrophobicContact CB-CD1 3.82Å; L94-F163 HydrophobicContact CB-CE1 4.26Å; L94-F163 HydrophobicContact CB-CG 4.47Å; P155-F163 HydrophobicContact CB-CD2 4.1Å; P155-F163 HydrophobicContact CB-CE2 3.84Å; P155-F163 HydrophobicContact CG-CD2 3.91Å; P155-F163 HydrophobicContact CG-CE2 3.72Å; F163-H165 PolarHBondContact O-N 2.87Å; F163-H165 PolarHBondContact O-ND1 3.35Å; F163-E178 WeakPolarHBondContact CB-OE2 3.47Å; F163-Y188 AromaticContact CD2-CD1 3.6Å; F163-Y188 HydrophobicContact CD2-CD1 3.6Å; F163-Y188 AromaticContact CD2-CE1 3.52Å; F163-Y188 HydrophobicContact CD2-CE1 3.52Å; F163-Y188 HydrophobicContact CD2-CG 4.16Å; F163-Y188 AromaticContact CE2-CD1 3.8Å; F163-Y188 HydrophobicContact CE2-CD1 3.8Å; F163-Y188 HydrophobicContact CE2-CD2 4.2Å; F163-Y188 HydrophobicContact CE2-CE1 4.03Å; F163-Y188 HydrophobicContact CE2-CE2 4.43Å; F163-Y188 AromaticContact CE2-CG 3.86Å; F163-Y188 HydrophobicContact CE2-CG 3.86Å; F163-Y188 HydrophobicContact CG-CD1 4.36Å; F163-Y188 HydrophobicContact CG-CE1 4.38Å
164	M	94.6	Very high	93.8	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	23%	0.228	C	C	.	.	S	Bend	trans	-56.9	134.9	-177	-170	-174.3	-60	0	0	111.3	I89 K90 I100 L103 S174 A175 E178	I89-M164 HydrophobicContact CG2-CE 4.28Å; I89-M164 HydrophobicContact CG2-CG 3.95Å; I89-M164 HydrophobicContact CG2-SD 3.59Å; I89-M164 VanDerWaalsContact CG2-SD 3.59Å; K90-M164 WeakPolarHBondContact O-CA 3.28Å; I100-M164 HydrophobicContact CD1-CE 4.19Å; I100-M164 HydrophobicContact CG1-CE 3.43Å; I100-M164 VanDerWaalsContact CG1-CE 3.43Å; L103-M164 HydrophobicContact CD2-CE 4.31Å; L103-M164 HydrophobicContact CD2-SD 3.85Å; M164-S174 VanDerWaalsContact SD-O 3.38Å; M164-A175 WeakPolarHBondContact O-CA 3.43Å; M164-A175 WeakPolarHBondContact O-CB 3.49Å; M164-E178 HydrophobicContact CB-CB 3.99Å; M164-E178 HydrophobicContact CB-CG 4.19Å; M164-E178 WeakPolarHBondContact CB-OE1 3.26Å; M164-E178 WeakPolarHBondContact CB-OE2 3.17Å; M164-E178 HydrophobicContact CE-CB 3.91Å; M164-E178 HydrophobicContact CE-CG 4.08Å; M164-E178 PolarHBondContact N-OE1 2.71Å; M164-E178 PolarHBondContact N-OE2 3.45Å; M164-E178 HydrophobicContact SD-CB 4.13Å
165	H	93.7	Very high	93.8	Very high	61 Å²	61	40.3 Å²	40.3	28%	0.282	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-154	163.5	178.7	60	-77.1	0	0	0	111.8	D88 K90 L161 F163	D88-H165 CarbonylContact O-C 3.56Å; K90-H165 WeakPolarHBondContact CB-O 3.29Å; K90-H165 PolarHBondContact N-O 2.85Å; K90-H165 PolarHBondContact O-N 3.45Å; L161-H165 HydrophobicContact CB-CB 4.15Å; L161-H165 HydrophobicContact CD1-CB 3.73Å; F163-H165 PolarHBondContact O-N 2.87Å; F163-H165 PolarHBondContact O-ND1 3.35Å
166	S	92	Very high	93.9	Very high	8 Å²	8	40.1 Å²	40.1	6%	0.056	23%	0.226	C	C	.	.			trans	-84.9	156.9	174.6	179.8	0	0	0	0	111.9	D88 D168 E171	D88-S166 WeakPolarHBondContact CA-OG 3.42Å; D88-S166 VanDerWaalsContact O-CA 3.24Å; D88-S166 WeakPolarHBondContact O-CA 3.4Å; D88-S166 PolarHBondContact O-N 2.86Å; S166-D168 PolarHBondContact O-N 3.21Å; S166-D168 PolarHBondContact OG-N 3.29Å; S166-D168 VanDerWaalsContact OG-N 3.1Å; S166-E171 WeakPolarHBondContact CB-OE2 3.22Å; S166-E171 PolarHBondContact OG-OE2 3.32Å
167	A	85.9	Confident	94	Very high	67 Å²	67	40 Å²	40	55%	0.554	23%	0.226	S	C	*	.	S	Bend	trans	-61.2	-31.9	165.4	0	0	0	0	0	111.7
168	D	90.7	Very high	94.2	Very high	60 Å²	60	35 Å²	35	32%	0.321	21%	0.207	S	C	.	.	S	Bend	trans	-83.2	113.9	171	-172.9	-12.5	0	0	0	110	A81 S166 N170 E171	A81-D168 WeakPolarHBondContact CB-OD2 3.25Å; S166-D168 PolarHBondContact O-N 3.21Å; S166-D168 PolarHBondContact OG-N 3.29Å; S166-D168 VanDerWaalsContact OG-N 3.1Å; D168-N170 PolarHBondContact O-N 3.22Å; D168-N170 WeakPolarHBondContact OD1-CB 3.35Å; D168-N170 PolarHBondContact OD1-N 3.3Å; D168-N170 PolarHBondContact OD1-ND2 3.45Å; D168-E171 HydrophobicContact CB-CB 4.2Å; D168-E171 PolarHBondContact O-N 3.24Å
169	S	90.9	Very high	94.5	Very high	92 Å²	92	28 Å²	28	64%	0.643	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-11.8	176.2	60.9	0	0	0	0	115.3	F172	S169-F172 WeakPolarHBondContact O-CZ 3.46Å
170	N	94.8	Very high	94.9	Very high	49 Å²	49	26 Å²	26	26%	0.262	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-6.5	177.4	-55.6	-64.5	0	0	0	113.3	S74 R78 D168 F172	S74-N170 PolarHBondContact OG-OD1 2.68Å; R78-N170 PolarHBondContact N-O 2.7Å; R78-N170 VanDerWaalsContact O-O 3.1Å; D168-N170 PolarHBondContact O-N 3.22Å; D168-N170 WeakPolarHBondContact OD1-CB 3.35Å; D168-N170 PolarHBondContact OD1-N 3.3Å; D168-N170 PolarHBondContact OD1-ND2 3.45Å; N170-F172 VanDerWaalsContact C-CE2 3.45Å; N170-F172 VanDerWaalsContact O-CD2 3.22Å; N170-F172 WeakPolarHBondContact O-CD2 3.29Å; N170-F172 VanDerWaalsContact O-CE2 3.28Å; N170-F172 WeakPolarHBondContact O-CE2 3.42Å
171	E	96.1	Very high	95	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.028	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-104.7	133.7	-175.4	-172.8	174.6	-120.2	0	0	112.4	R78 F79 V80 A81 D88 S166 D168	R78-E171 WeakPolarHBondContact O-CA 2.95Å; F79-E171 WeakPolarHBondContact O-CG 3.32Å; V80-E171 WeakPolarHBondContact CA-OE1 3.45Å; A81-E171 HydrophobicContact CB-CB 3.95Å; A81-E171 HydrophobicContact CB-CG 4.26Å; A81-E171 PolarHBondContact N-OE1 3.44Å; D88-E171 WeakPolarHBondContact CB-OE2 3.31Å; S166-E171 WeakPolarHBondContact CB-OE2 3.22Å; S166-E171 PolarHBondContact OG-OE2 3.32Å; D168-E171 HydrophobicContact CB-CB 4.2Å; D168-E171 PolarHBondContact O-N 3.24Å
172	F	97.3	Very high	95	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.018	11%	0.109	C	C	.	.			trans	-131.7	-1.3	-167.5	-65.7	-87.4	0	0	0	115.6	P70 L73 P77 R78 F79 F123 L154 L161 S169 N170 S174 A175 L176	P70-F172 HydrophobicContact CB-CD1 3.88Å; P70-F172 HydrophobicContact CB-CD2 3.72Å; P70-F172 HydrophobicContact CB-CE1 3.93Å; P70-F172 HydrophobicContact CB-CE2 3.78Å; P70-F172 HydrophobicContact CB-CG 3.77Å; P70-F172 HydrophobicContact CB-CZ 3.89Å; P70-F172 HydrophobicContact CG-CB 4.1Å; P70-F172 HydrophobicContact CG-CD1 3.65Å; P70-F172 HydrophobicContact CG-CD2 4.19Å; P70-F172 HydrophobicContact CG-CE1 4.08Å; P70-F172 HydrophobicContact CG-CG 3.71Å; L73-F172 HydrophobicContact CB-CZ 4.38Å; L73-F172 HydrophobicContact CD1-CE1 4.19Å; P77-F172 HydrophobicContact CB-CD2 4.06Å; P77-F172 HydrophobicContact CB-CE2 3.8Å; R78-F172 PolarHBondContact O-N 3.48Å; R78-F172 VanDerWaalsContact O-N 3.17Å; F79-F172 PolarHBondContact O-N 3.47Å; F123-F172 HydrophobicContact CE2-CB 4.26Å; F123-F172 HydrophobicContact CE2-CD2 4.32Å; F123-F172 HydrophobicContact CZ-CB 4.06Å; F123-F172 HydrophobicContact CZ-CD2 4.45Å; F123-F172 HydrophobicContact CZ-CG 4.46Å; L154-F172 HydrophobicContact CD1-CD1 3.98Å; L161-F172 HydrophobicContact CD1-CD1 4.14Å; L161-F172 HydrophobicContact CD1-CE1 4.07Å; S169-F172 WeakPolarHBondContact O-CZ 3.46Å; N170-F172 VanDerWaalsContact C-CE2 3.45Å; N170-F172 VanDerWaalsContact O-CD2 3.22Å; N170-F172 WeakPolarHBondContact O-CD2 3.29Å; N170-F172 VanDerWaalsContact O-CE2 3.28Å; N170-F172 WeakPolarHBondContact O-CE2 3.42Å; F172-S174 VanDerWaalsContact C-N 3.29Å; F172-S174 PolarHBondContact O-N 2.7Å; F172-A175 PolarHBondContact O-N 3.3Å; F172-L176 HydrophobicContact CB-CD1 4.25Å; F172-L176 WeakPolarHBondContact O-CB 3.33Å; F172-L176 VanDerWaalsContact O-CG 3.27Å; F172-L176 WeakPolarHBondContact O-CG 3.36Å; F172-L176 PolarHBondContact O-N 3.06Å; F172-L176 VanDerWaalsContact O-N 3.09Å
173	W	96.8	Very high	95.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.5	-40.2	-177.6	72.5	-95	0	0	0	112.6	F79 V80 V84 D88 I89 L103 F113 V117 L176 L177	F79-W173 HydrophobicContact CD1-CB 4.21Å; F79-W173 HydrophobicContact CD2-CB 4.04Å; F79-W173 HydrophobicContact CE1-CB 3.96Å; F79-W173 HydrophobicContact CE2-CB 3.78Å; F79-W173 HydrophobicContact CG-CB 4.25Å; F79-W173 HydrophobicContact CZ-CB 3.75Å; F79-W173 VanDerWaalsContact O-CB 3.25Å; F79-W173 WeakPolarHBondContact O-CB 3.32Å; F79-W173 PolarHBondContact O-N 3.27Å; V80-W173 HydrophobicContact CG2-CB 4.19Å; V80-W173 HydrophobicContact CG2-CG 4.06Å; V84-W173 HydrophobicContact CG1-CZ2 4.04Å; D88-W173 HydrophobicContact CB-CZ2 3.76Å; D88-W173 PolarHBondContact OD2-NE1 3.41Å; D88-W173 VanDerWaalsContact OD2-NE1 3.16Å; I89-W173 HydrophobicContact CD1-CH2 3.9Å; I89-W173 HydrophobicContact CD1-CZ2 4.36Å; I89-W173 HydrophobicContact CG1-CH2 3.78Å; I89-W173 HydrophobicContact CG1-CZ2 3.94Å; L103-W173 HydrophobicContact CD1-CH2 4.38Å; L103-W173 HydrophobicContact CD1-CZ3 4.1Å; L103-W173 HydrophobicContact CD2-CH2 3.96Å; L103-W173 HydrophobicContact CD2-CZ3 3.8Å; L103-W173 HydrophobicContact CG-CH2 4.07Å; L103-W173 HydrophobicContact CG-CZ3 4.13Å; F113-W173 HydrophobicContact CE2-CE3 4.02Å; F113-W173 AromaticContact CE2-CH2 3.46Å; F113-W173 HydrophobicContact CE2-CH2 3.46Å; F113-W173 VanDerWaalsContact CE2-CH2 3.46Å; F113-W173 HydrophobicContact CE2-CZ2 4.07Å; F113-W173 AromaticContact CE2-CZ3 3.43Å; F113-W173 HydrophobicContact CE2-CZ3 3.43Å; F113-W173 VanDerWaalsContact CE2-CZ3 3.43Å; F113-W173 HydrophobicContact CZ-CD2 4.02Å; F113-W173 AromaticContact CZ-CE3 3.71Å; F113-W173 HydrophobicContact CZ-CE3 3.71Å; F113-W173 AromaticContact CZ-CH2 3.84Å; F113-W173 HydrophobicContact CZ-CH2 3.84Å; F113-W173 HydrophobicContact CZ-CZ2 4.1Å; F113-W173 AromaticContact CZ-CZ3 3.63Å; F113-W173 HydrophobicContact CZ-CZ3 3.63Å; V117-W173 HydrophobicContact CG2-CE3 4.01Å; V117-W173 HydrophobicContact CG2-CZ3 4.19Å; W173-L176 PolarHBondContact O-N 3.37Å; W173-L177 HydrophobicContact CZ3-CD1 4.27Å; W173-L177 WeakPolarHBondContact O-CB 3.44Å; W173-L177 PolarHBondContact O-N 2.99Å
174	S	96.2	Very high	95.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.5	-45.9	-176.2	55.8	0	0	0	0	111.6	D88 M164 F172 L176 L177 E178	D88-S174 VanDerWaalsContact O-CB 3.28Å; D88-S174 WeakPolarHBondContact O-CB 3.44Å; D88-S174 PolarHBondContact O-OG 2.89Å; M164-S174 VanDerWaalsContact SD-O 3.38Å; F172-S174 VanDerWaalsContact C-N 3.29Å; F172-S174 PolarHBondContact O-N 2.7Å; S174-L176 VanDerWaalsContact C-N 3.31Å; S174-L176 PolarHBondContact O-N 3.49Å; S174-L177 PolarHBondContact O-N 2.88Å; S174-E178 PolarHBondContact O-N 3.42Å
175	A	97.1	Very high	95	Very high	2 Å²	2	17.4 Å²	17.4	2%	0.017	11%	0.108	C	C	.	.	H	α-helix	trans	-59.4	-40.9	174.1	0	0	0	0	0	112.4	L154 L161 M164 F172 K179	L154-A175 HydrophobicContact CD1-CB 3.79Å; L154-A175 HydrophobicContact CD2-CB 4.07Å; L161-A175 HydrophobicContact CD1-CB 4.12Å; M164-A175 WeakPolarHBondContact O-CA 3.43Å; M164-A175 WeakPolarHBondContact O-CB 3.49Å; F172-A175 PolarHBondContact O-N 3.3Å; A175-K179 PolarHBondContact O-N 3.02Å; A175-K179 VanDerWaalsContact O-N 3.12Å
176	L	98.2	Very high	94.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-72.2	-36.1	178.7	-68.7	169	0	0	0	112.2	F79 F123 F135 F137 D152 L154 F172 W173 S174 K179 A180	F79-L176 HydrophobicContact CD2-CD1 4.09Å; F79-L176 HydrophobicContact CE2-CD1 4.04Å; F123-L176 HydrophobicContact CZ-CD1 4.21Å; F135-L176 HydrophobicContact CB-CD1 4.3Å; F135-L176 HydrophobicContact CD1-CD1 4.02Å; F135-L176 HydrophobicContact CD2-CD1 3.73Å; F135-L176 HydrophobicContact CD2-CD2 4.39Å; F135-L176 HydrophobicContact CE1-CD1 4.29Å; F135-L176 HydrophobicContact CE2-CD1 4.03Å; F135-L176 HydrophobicContact CG-CD1 3.73Å; F135-L176 HydrophobicContact CZ-CD1 4.3Å; F137-L176 HydrophobicContact CE2-CB 3.84Å; F137-L176 WeakPolarHBondContact CE2-O 2.91Å; F137-L176 HydrophobicContact CZ-CB 3.61Å; D152-L176 HydrophobicContact CB-CD2 3.89Å; L154-L176 HydrophobicContact CD1-CD2 4.32Å; L154-L176 HydrophobicContact CD2-CD2 4.08Å; L154-L176 HydrophobicContact CG-CD2 4.28Å; F172-L176 HydrophobicContact CB-CD1 4.25Å; F172-L176 WeakPolarHBondContact O-CB 3.33Å; F172-L176 VanDerWaalsContact O-CG 3.27Å; F172-L176 WeakPolarHBondContact O-CG 3.36Å; F172-L176 PolarHBondContact O-N 3.06Å; F172-L176 VanDerWaalsContact O-N 3.09Å; W173-L176 PolarHBondContact O-N 3.37Å; S174-L176 VanDerWaalsContact C-N 3.31Å; S174-L176 PolarHBondContact O-N 3.49Å; L176-K179 WeakPolarHBondContact O-CB 3.36Å; L176-K179 PolarHBondContact O-N 3.05Å; L176-A180 PolarHBondContact O-N 3.39Å
177	L	97.8	Very high	94.7	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.8	-46	173.7	178.1	148.6	0	0	0	110.7	L103 V116 V117 F137 F139 W173 S174 K179 A180 Y181 F203	L103-L177 HydrophobicContact CD1-CD1 3.73Å; L103-L177 HydrophobicContact CD1-CD2 4.13Å; L103-L177 HydrophobicContact CD2-CD1 4.41Å; L103-L177 HydrophobicContact CD2-CD2 3.76Å; V116-L177 HydrophobicContact CG1-CD1 3.72Å; V117-L177 HydrophobicContact CG2-CD1 3.39Å; F137-L177 HydrophobicContact CD1-CB 3.87Å; F137-L177 HydrophobicContact CD1-CD1 4.07Å; F137-L177 HydrophobicContact CD1-CG 4.12Å; F137-L177 HydrophobicContact CE1-CB 3.58Å; F137-L177 HydrophobicContact CE1-CD1 4.36Å; F137-L177 HydrophobicContact CE1-CG 4.33Å; F137-L177 HydrophobicContact CZ-CB 4.06Å; F137-L177 VanDerWaalsContact CZ-N 3.33Å; F139-L177 HydrophobicContact CE1-CG 4.39Å; F139-L177 HydrophobicContact CZ-CG 4.31Å; W173-L177 HydrophobicContact CZ3-CD1 4.27Å; W173-L177 WeakPolarHBondContact O-CB 3.44Å; W173-L177 PolarHBondContact O-N 2.99Å; S174-L177 PolarHBondContact O-N 2.88Å; L177-K179 VanDerWaalsContact C-N 3.26Å; L177-K179 PolarHBondContact O-N 2.96Å; L177-A180 PolarHBondContact O-N 3.41Å; L177-A180 VanDerWaalsContact O-N 3.08Å; L177-Y181 WeakPolarHBondContact O-CB 3.36Å; L177-Y181 PolarHBondContact O-N 3.48Å; L177-F203 HydrophobicContact CD2-CZ 4.41Å
178	E	97.5	Very high	95.1	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.009	8%	0.082	C	C	.	.	H	α-helix	trans	-56.6	-44.5	175.9	-173.8	-172.8	-131.5	0	0	110.6	N96 F163 M164 S174 A180 Y181 A182 Y188 L191	N96-E178 PolarHBondContact ND2-OE1 3.32Å; F163-E178 WeakPolarHBondContact CB-OE2 3.47Å; M164-E178 HydrophobicContact CB-CB 3.99Å; M164-E178 HydrophobicContact CB-CG 4.19Å; M164-E178 WeakPolarHBondContact CB-OE1 3.26Å; M164-E178 WeakPolarHBondContact CB-OE2 3.17Å; M164-E178 HydrophobicContact CE-CB 3.91Å; M164-E178 HydrophobicContact CE-CG 4.08Å; M164-E178 PolarHBondContact N-OE1 2.71Å; M164-E178 PolarHBondContact N-OE2 3.45Å; M164-E178 HydrophobicContact SD-CB 4.13Å; S174-E178 PolarHBondContact O-N 3.42Å; E178-A180 PolarHBondContact O-N 2.82Å; E178-Y181 PolarHBondContact O-N 2.92Å; E178-A182 WeakPolarHBondContact O-CB 3.36Å; E178-A182 PolarHBondContact O-N 3.45Å; E178-Y188 HydrophobicContact CG-CD1 4.46Å; E178-Y188 HydrophobicContact CG-CE1 4.1Å; E178-L191 HydrophobicContact CG-CD1 4.22Å
179	K	97.6	Very high	95	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-60.1	-43.5	174.8	-173.3	178.5	174	-177.1	0	112.4	V150 D151 R153 L154 A175 L176 L177 Y181 A182 K183 Y188	V150-K179 HydrophobicContact CB-CD 4.27Å; V150-K179 HydrophobicContact CB-CG 4.44Å; V150-K179 HydrophobicContact CG1-CG 4.19Å; D151-K179 PolarHBondContact O-NZ 3.47Å; D151-K179 IonicContact OD1-NZ 2.86Å; D151-K179 PolarHBondContact OD1-NZ 2.78Å; D151-K179 IonicContact OD2-NZ 2.68Å; R153-K179 PolarHBondContact O-NZ 2.93Å; L154-K179 HydrophobicContact CD2-CB 4.4Å; L154-K179 HydrophobicContact CD2-CD 4.28Å; A175-K179 PolarHBondContact O-N 3.02Å; A175-K179 VanDerWaalsContact O-N 3.12Å; L176-K179 WeakPolarHBondContact O-CB 3.36Å; L176-K179 PolarHBondContact O-N 3.05Å; L177-K179 VanDerWaalsContact C-N 3.26Å; L177-K179 PolarHBondContact O-N 2.96Å; K179-Y181 VanDerWaalsContact C-N 3.33Å; K179-A182 PolarHBondContact O-N 3.44Å; K179-K183 WeakPolarHBondContact O-CB 3.22Å; K179-K183 PolarHBondContact O-N 2.95Å; K179-Y188 WeakPolarHBondContact CB-OH 3.49Å; K179-Y188 HydrophobicContact CG-CE2 4.49Å; K179-Y188 WeakPolarHBondContact CG-OH 3.41Å
180	A	97.9	Very high	95	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-65.6	-38.5	178.4	0	0	0	0	0	111.6	F137 F139 V148 V150 L176 L177 E178 K183 L184	F137-A180 HydrophobicContact CB-CB 4.04Å; F137-A180 HydrophobicContact CD2-CB 3.34Å; F137-A180 HydrophobicContact CE2-CB 4.06Å; F137-A180 HydrophobicContact CG-CB 3.9Å; F139-A180 HydrophobicContact CE2-CB 3.91Å; F139-A180 HydrophobicContact CZ-CB 4.09Å; V148-A180 HydrophobicContact CB-CB 4.42Å; V148-A180 HydrophobicContact CG1-CB 4.1Å; V150-A180 HydrophobicContact CG1-CB 3.88Å; V150-A180 HydrophobicContact CG2-CB 4.18Å; L176-A180 PolarHBondContact O-N 3.39Å; L177-A180 PolarHBondContact O-N 3.41Å; L177-A180 VanDerWaalsContact O-N 3.08Å; E178-A180 PolarHBondContact O-N 2.82Å; A180-K183 CarbonylContact O-C 3.4Å; A180-K183 WeakPolarHBondContact O-CB 3.39Å; A180-K183 PolarHBondContact O-N 3Å; A180-L184 PolarHBondContact O-N 3.07Å
181	Y	96.7	Very high	94.9	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-70.5	-40.2	176.4	-161.2	-124.5	0	0	0	111.7	W98 V99 F139 L177 E178 K179 K183 L184 V185 L191 D202 F203	W98-Y181 AromaticContact CH2-CE1 3.88Å; W98-Y181 HydrophobicContact CH2-CE1 3.88Å; W98-Y181 HydrophobicContact CZ3-CE1 4.36Å; V99-Y181 HydrophobicContact CG1-CD1 3.86Å; V99-Y181 HydrophobicContact CG1-CE1 4.08Å; V99-Y181 HydrophobicContact CG2-CD1 4.11Å; V99-Y181 HydrophobicContact CG2-CE1 3.83Å; F139-Y181 AromaticContact CD1-CD2 3.71Å; F139-Y181 HydrophobicContact CD1-CD2 3.71Å; F139-Y181 HydrophobicContact CD1-CE2 4.17Å; F139-Y181 HydrophobicContact CD2-CD2 4.47Å; F139-Y181 AromaticContact CE1-CD2 3.68Å; F139-Y181 HydrophobicContact CE1-CD2 3.68Å; F139-Y181 HydrophobicContact CE1-CG 4.26Å; F139-Y181 HydrophobicContact CE2-CD2 4.42Å; F139-Y181 HydrophobicContact CG-CD2 4.12Å; F139-Y181 HydrophobicContact CZ-CD2 4.04Å; F139-Y181 HydrophobicContact CZ-CG 4.43Å; L177-Y181 WeakPolarHBondContact O-CB 3.36Å; L177-Y181 PolarHBondContact O-N 3.48Å; E178-Y181 PolarHBondContact O-N 2.92Å; K179-Y181 VanDerWaalsContact C-N 3.33Å; Y181-K183 VanDerWaalsContact C-N 3.33Å; Y181-K183 PolarHBondContact O-N 3.29Å; Y181-L184 HydrophobicContact CD2-CD2 4.03Å; Y181-L184 HydrophobicContact CE2-CD2 4.09Å; Y181-L184 WeakPolarHBondContact O-CA 3.13Å; Y181-L184 VanDerWaalsContact O-CB 3.3Å; Y181-L184 WeakPolarHBondContact O-CB 3.13Å; Y181-L184 PolarHBondContact O-N 3.25Å; Y181-V185 WeakPolarHBondContact O-CG2 3.42Å; Y181-V185 PolarHBondContact O-N 2.87Å; Y181-L191 HydrophobicContact CD1-CD1 4.44Å; Y181-L191 HydrophobicContact CD1-CD2 3.39Å; Y181-L191 HydrophobicContact CE1-CD2 3.68Å; Y181-L191 HydrophobicContact CG-CD2 4.32Å; Y181-D202 HydrophobicContact CE2-CB 3.91Å; Y181-D202 WeakPolarHBondContact CE2-OD2 3.41Å; Y181-D202 PolarHBondContact OH-OD2 2.92Å; Y181-F203 HydrophobicContact CD2-CE1 4.32Å; Y181-F203 HydrophobicContact CE2-CE1 4.32Å
182	A	95.2	Very high	94.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-58.5	-45.5	169.6	0	0	0	0	0	111.2	M47 E178 K179 L184 V185 S186 S187 Y188 L191	M47-A182 HydrophobicContact CE-CB 3.84Å; E178-A182 WeakPolarHBondContact O-CB 3.36Å; E178-A182 PolarHBondContact O-N 3.45Å; K179-A182 PolarHBondContact O-N 3.44Å; A182-L184 PolarHBondContact O-N 3.38Å; A182-V185 CarbonylContact O-C 3.49Å; A182-V185 PolarHBondContact O-N 3.39Å; A182-S186 CarbonylContact O-C 3.55Å; A182-S186 PolarHBondContact O-N 3.36Å; A182-S187 PolarHBondContact O-N 2.79Å; A182-Y188 HydrophobicContact CB-CD1 3.93Å; A182-Y188 HydrophobicContact CB-CD2 4.13Å; A182-Y188 HydrophobicContact CB-CE1 4.21Å; A182-Y188 HydrophobicContact CB-CE2 4.38Å; A182-Y188 HydrophobicContact CB-CG 3.91Å; A182-L191 HydrophobicContact CB-CD1 3.77Å; A182-L191 HydrophobicContact CB-CG 4.4Å
183	K	95.4	Very high	94.1	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.009	8%	0.079	C	C	.	.	H	α-helix	trans	-61.5	-29.4	171.7	172.3	174.3	176.1	170.4	0	111.7	R14 D44 M47 V148 V149 V150 K179 A180 Y181	R14-K183 HydrophobicContact CG-CG 4.41Å; R14-K183 PolarHBondContact NE-O 3.43Å; R14-K183 PolarHBondContact NH2-O 2.93Å; R14-K183 VanDerWaalsContact O-CE 3.24Å; R14-K183 WeakPolarHBondContact O-CE 3.45Å; D44-K183 IonicContact OD1-NZ 2.72Å; D44-K183 PolarHBondContact OD1-NZ 3.35Å; D44-K183 WeakPolarHBondContact OD2-CD 3.5Å; D44-K183 WeakPolarHBondContact OD2-CE 3.2Å; D44-K183 IonicContact OD2-NZ 2.87Å; D44-K183 PolarHBondContact OD2-NZ 3.37Å; M47-K183 HydrophobicContact CB-CB 4.21Å; M47-K183 HydrophobicContact CB-CD 4.11Å; M47-K183 HydrophobicContact CB-CG 4.25Å; M47-K183 HydrophobicContact CG-CB 4.19Å; M47-K183 HydrophobicContact SD-CB 4.09Å; V148-K183 HydrophobicContact CG1-CB 4.34Å; V148-K183 HydrophobicContact CG1-CD 3.87Å; V148-K183 HydrophobicContact CG1-CG 4.03Å; V149-K183 PolarHBondContact O-NZ 3.47Å; V150-K183 HydrophobicContact CG1-CB 4.16Å; V150-K183 HydrophobicContact CG1-CD 3.77Å; K179-K183 WeakPolarHBondContact O-CB 3.22Å; K179-K183 PolarHBondContact O-N 2.95Å; A180-K183 CarbonylContact O-C 3.4Å; A180-K183 WeakPolarHBondContact O-CB 3.39Å; A180-K183 PolarHBondContact O-N 3Å; Y181-K183 VanDerWaalsContact C-N 3.33Å; Y181-K183 PolarHBondContact O-N 3.29Å
184	L	94.4	Very high	93.6	Very high	13 Å²	13	15 Å²	15	7%	0.068	10%	0.098	C	C	.	.	H	α-helix	trans	-72.5	-39.7	175.3	-174.9	63.7	0	0	0	111.3	R14 T15 F139 R141 V148 A180 Y181 A182	R14-L184 VanDerWaalsContact NH2-C 3.3Å; R14-L184 PolarHBondContact NH2-O 3.38Å; T15-L184 HydrophobicContact CG2-CD1 3.83Å; F139-L184 HydrophobicContact CB-CD2 3.52Å; F139-L184 HydrophobicContact CD2-CD2 3.72Å; F139-L184 HydrophobicContact CG-CD2 3.72Å; R141-L184 HydrophobicContact CG-CD1 4.25Å; R141-L184 HydrophobicContact CG-CD2 3.8Å; R141-L184 HydrophobicContact CG-CG 4.39Å; V148-L184 HydrophobicContact CG2-CB 4.46Å; V148-L184 HydrophobicContact CG2-CD1 4.01Å; A180-L184 PolarHBondContact O-N 3.07Å; Y181-L184 HydrophobicContact CD2-CD2 4.03Å; Y181-L184 HydrophobicContact CE2-CD2 4.09Å; Y181-L184 WeakPolarHBondContact O-CA 3.13Å; Y181-L184 VanDerWaalsContact O-CB 3.3Å; Y181-L184 WeakPolarHBondContact O-CB 3.13Å; Y181-L184 PolarHBondContact O-N 3.25Å; A182-L184 PolarHBondContact O-N 3.38Å
185	V	91.8	Very high	93.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-97.2	-1.1	-174.1	-56.1	0	0	0	0	116.1	Y181 A182 A190 L191 R423 E424	Y181-V185 WeakPolarHBondContact O-CG2 3.42Å; Y181-V185 PolarHBondContact O-N 2.87Å; A182-V185 CarbonylContact O-C 3.49Å; A182-V185 PolarHBondContact O-N 3.39Å; V185-A190 HydrophobicContact CB-CB 4.28Å; V185-A190 HydrophobicContact CG2-CB 3.73Å; V185-A190 WeakPolarHBondContact O-CB 3.09Å; V185-L191 HydrophobicContact CG2-CD2 3.41Å; V185-L191 VanDerWaalsContact CG2-CD2 3.41Å; V185-L191 HydrophobicContact CG2-CG 3.88Å; V185-R423 HydrophobicContact CB-CG 4.43Å; V185-E424 WeakPolarHBondContact O-CA 3.36Å
186	S	89.3	Confident	93.1	Very high	47 Å²	47	16.2 Å²	16.2	33%	0.329	11%	0.106	S	C	.	.	S	Bend	trans	119.1	-43.6	167.6	-165.7	0	0	0	0	113.3	A182	A182-S186 CarbonylContact O-C 3.55Å; A182-S186 PolarHBondContact O-N 3.36Å
187	S	91.7	Very high	92.9	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.014	11%	0.109	C	C	.	.	S	Bend	trans	-156	168.3	-177.2	61	0	0	0	0	110.1	T53 S56 A182 D189 A190	T53-S187 WeakPolarHBondContact O-CA 3.27Å; T53-S187 VanDerWaalsContact O-CB 3.3Å; T53-S187 WeakPolarHBondContact O-CB 3.35Å; S56-S187 PolarHBondContact OG-OG 3.15Å; A182-S187 PolarHBondContact O-N 2.79Å; S187-D189 PolarHBondContact O-N 3.07Å; S187-D189 PolarHBondContact OG-N 2.88Å; S187-A190 PolarHBondContact O-N 2.97Å; S187-A190 PolarHBondContact OG-N 3.34Å
188	Y	93.2	Very high	92.7	Very high	1 Å²	1	17.4 Å²	17.4	0%	0.004	11%	0.113	C	C	.	.	S	Bend	trans	-62.3	-36	168.5	-75.8	-90.3	0	0	0	111.1	M47 T53 I54 W67 L94 P155 F163 E178 K179 A182 A190 L191	M47-Y188 HydrophobicContact CE-CD2 3.63Å; M47-Y188 HydrophobicContact CE-CE2 3.66Å; T53-Y188 PolarHBondContact O-N 3.32Å; I54-Y188 HydrophobicContact CG1-CD2 4.17Å; W67-Y188 HydrophobicContact CH2-CE2 4.03Å; L94-Y188 HydrophobicContact CD2-CD1 3.9Å; P155-Y188 HydrophobicContact CG-CE2 4.09Å; F163-Y188 AromaticContact CD2-CD1 3.6Å; F163-Y188 HydrophobicContact CD2-CD1 3.6Å; F163-Y188 AromaticContact CD2-CE1 3.52Å; F163-Y188 HydrophobicContact CD2-CE1 3.52Å; F163-Y188 HydrophobicContact CD2-CG 4.16Å; F163-Y188 AromaticContact CE2-CD1 3.8Å; F163-Y188 HydrophobicContact CE2-CD1 3.8Å; F163-Y188 HydrophobicContact CE2-CD2 4.2Å; F163-Y188 HydrophobicContact CE2-CE1 4.03Å; F163-Y188 HydrophobicContact CE2-CE2 4.43Å; F163-Y188 AromaticContact CE2-CG 3.86Å; F163-Y188 HydrophobicContact CE2-CG 3.86Å; F163-Y188 HydrophobicContact CG-CD1 4.36Å; F163-Y188 HydrophobicContact CG-CE1 4.38Å; E178-Y188 HydrophobicContact CG-CD1 4.46Å; E178-Y188 HydrophobicContact CG-CE1 4.1Å; K179-Y188 WeakPolarHBondContact CB-OH 3.49Å; K179-Y188 HydrophobicContact CG-CE2 4.49Å; K179-Y188 WeakPolarHBondContact CG-OH 3.41Å; A182-Y188 HydrophobicContact CB-CD1 3.93Å; A182-Y188 HydrophobicContact CB-CD2 4.13Å; A182-Y188 HydrophobicContact CB-CE1 4.21Å; A182-Y188 HydrophobicContact CB-CE2 4.38Å; A182-Y188 HydrophobicContact CB-CG 3.91Å; Y188-A190 VanDerWaalsContact C-N 3.25Å; Y188-A190 PolarHBondContact O-N 2.97Å; Y188-L191 WeakPolarHBondContact O-CB 3.36Å; Y188-L191 PolarHBondContact O-N 3.1Å
189	D	89.9	Confident	92.6	Very high	51 Å²	51	17.3 Å²	17.3	27%	0.273	11%	0.112	S	C	.	.	G	3₁₀ helix	trans	-59.8	-34.8	178.1	-142.6	37.2	0	0	0	113	I54 S187 L191 R192	I54-D189 VanDerWaalsContact O-CB 3.29Å; I54-D189 WeakPolarHBondContact O-CB 3.45Å; I54-D189 PolarHBondContact O-N 2.87Å; S187-D189 PolarHBondContact O-N 3.07Å; S187-D189 PolarHBondContact OG-N 2.88Å; D189-L191 PolarHBondContact O-N 2.89Å; D189-L191 VanDerWaalsContact O-N 3.13Å; D189-R192 WeakPolarHBondContact O-CB 3.06Å; D189-R192 PolarHBondContact O-N 3.07Å; D189-R192 VanDerWaalsContact OD1-CD 3.32Å; D189-R192 WeakPolarHBondContact OD1-CD 3Å; D189-R192 IonicContact OD1-NE 2.61Å; D189-R192 PolarHBondContact OD1-NE 3.21Å
190	A	90.2	Very high	92.4	Very high	6 Å²	6	17.3 Å²	17.3	5%	0.05	11%	0.112	C	C	.	.	G	3₁₀ helix	trans	-64.3	-13.8	176.5	0	0	0	0	0	113.7	V185 S187 Y188 R423	V185-A190 HydrophobicContact CB-CB 4.28Å; V185-A190 HydrophobicContact CG2-CB 3.73Å; V185-A190 WeakPolarHBondContact O-CB 3.09Å; S187-A190 PolarHBondContact O-N 2.97Å; S187-A190 PolarHBondContact OG-N 3.34Å; Y188-A190 VanDerWaalsContact C-N 3.25Å; Y188-A190 PolarHBondContact O-N 2.97Å; A190-R423 PolarHBondContact O-NH1 2.88Å
191	L	92.2	Very high	92.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-87.7	-9.8	172.7	-59.6	178.2	0	0	0	113.3	L94 N96 W98 V99 E178 Y181 A182 V185 Y188 D189 G193	L94-L191 HydrophobicContact CD2-CB 4.12Å; L94-L191 HydrophobicContact CD2-CD1 4.27Å; N96-L191 HydrophobicContact CB-CB 4.02Å; N96-L191 WeakPolarHBondContact CB-O 3.38Å; W98-L191 HydrophobicContact CZ2-CD2 4.37Å; W98-L191 PolarHBondContact NE1-O 3.4Å; V99-L191 HydrophobicContact CG2-CD2 4.37Å; E178-L191 HydrophobicContact CG-CD1 4.22Å; Y181-L191 HydrophobicContact CD1-CD1 4.44Å; Y181-L191 HydrophobicContact CD1-CD2 3.39Å; Y181-L191 HydrophobicContact CE1-CD2 3.68Å; Y181-L191 HydrophobicContact CG-CD2 4.32Å; A182-L191 HydrophobicContact CB-CD1 3.77Å; A182-L191 HydrophobicContact CB-CG 4.4Å; V185-L191 HydrophobicContact CG2-CD2 3.41Å; V185-L191 VanDerWaalsContact CG2-CD2 3.41Å; V185-L191 HydrophobicContact CG2-CG 3.88Å; Y188-L191 WeakPolarHBondContact O-CB 3.36Å; Y188-L191 PolarHBondContact O-N 3.1Å; D189-L191 PolarHBondContact O-N 2.89Å; D189-L191 VanDerWaalsContact O-N 3.13Å; L191-G193 PolarHBondContact O-N 3.46Å
192	R	89.3	Confident	92.1	Very high	103 Å²	103	17.5 Å²	17.5	39%	0.389	11%	0.113	S	C	.	.	S	Bend	trans	-69.5	123.3	175.2	-69.7	-171.7	-176.8	-81.7	-8.8	109.8	E93 L94 D189	E93-R192 PolarHBondContact O-NH1 2.72Å; E93-R192 PolarHBondContact O-NH2 3.29Å; L94-R192 HydrophobicContact CD1-CG 3.49Å; L94-R192 VanDerWaalsContact CD1-CG 3.49Å; L94-R192 HydrophobicContact CG-CG 4.44Å; D189-R192 WeakPolarHBondContact O-CB 3.06Å; D189-R192 PolarHBondContact O-N 3.07Å; D189-R192 VanDerWaalsContact OD1-CD 3.32Å; D189-R192 WeakPolarHBondContact OD1-CD 3Å; D189-R192 IonicContact OD1-NE 2.61Å; D189-R192 PolarHBondContact OD1-NE 3.21Å
193	G	86.6	Confident	92.1	Very high	49 Å²	49	17.5 Å²	17.5	51%	0.505	11%	0.113	S	C	.	.	S	Bend	trans	70.4	126.1	179.1	0	0	0	0	0	113.1	G95 L191 R423	G95-G193 PolarHBondContact O-N 3.26Å; L191-G193 PolarHBondContact O-N 3.46Å; G193-R423 PolarHBondContact O-NH1 2.88Å; G193-R423 PolarHBondContact O-NH2 2.95Å; G193-R423 VanDerWaalsContact O-NH2 3.16Å
194	G	87.6	Confident	91.9	Very high	38 Å²	38	17.6 Å²	17.6	39%	0.392	11%	0.114	S	C	.	.			trans	178.3	172.8	179.1	0	0	0	0	0	111.8	W98	W98-G194 WeakPolarHBondContact CB-O 3.14Å
195	C	89.5	Confident	91.7	Very high	25 Å²	25	17.5 Å²	17.5	17%	0.169	12%	0.116	C	C	.	.			trans	-99.7	138	176.1	178.8	0	0	0	0	109.8	A197 E198 E339	C195-A197 PolarHBondContact O-N 3.16Å; C195-A197 VanDerWaalsContact SG-CB 3.54Å; C195-E198 HydrophobicContact CB-CG 4.34Å; C195-E198 PolarHBondContact N-OE1 2.92Å; C195-E198 WeakPolarHBondContact O-CB 3.39Å; C195-E198 PolarHBondContact O-N 3.36Å; C195-E339 PolarHBondContact SG-OE2 3.24Å; C195-E339 VanDerWaalsContact SG-OE2 3.39Å
196	T	93.6	Very high	91.6	Very high	2 Å²	2	17.5 Å²	17.5	1%	0.012	12%	0.116	C	C	.	.	H	α-helix	trans	-60.5	-30.7	-176.4	-47.8	0	0	0	0	111.4	W98 A101 A102 E198 A199 M200 A236 A259 E339	W98-T196 WeakPolarHBondContact O-CG2 3.47Å; A101-T196 HydrophobicContact CB-CG2 4Å; A102-T196 HydrophobicContact CB-CG2 3.83Å; T196-E198 VanDerWaalsContact C-N 3.25Å; T196-E198 PolarHBondContact O-N 3.19Å; T196-A199 PolarHBondContact O-N 2.6Å; T196-A199 VanDerWaalsContact O-N 3.1Å; T196-M200 HydrophobicContact CG2-CE 4.11Å; T196-M200 HydrophobicContact CG2-CG 4.26Å; T196-M200 HydrophobicContact CG2-SD 4.38Å; T196-M200 WeakPolarHBondContact O-CG 3.35Å; T196-M200 PolarHBondContact O-N 2.89Å; T196-A236 HydrophobicContact CG2-CB 3.32Å; T196-A259 WeakPolarHBondContact OG1-CB 3.41Å; T196-E339 WeakPolarHBondContact CA-OE2 3.37Å; T196-E339 VanDerWaalsContact CB-OE2 3.24Å; T196-E339 WeakPolarHBondContact CB-OE2 3.09Å; T196-E339 PolarHBondContact N-OE2 3.31Å
197	A	93.1	Very high	91.6	Very high	9 Å²	9	15.6 Å²	15.6	7%	0.074	10%	0.103	C	C	.	.	H	α-helix	trans	-50.2	-43.5	172	0	0	0	0	0	112.4	C195 A199 M200 E201 T208 E339	C195-A197 PolarHBondContact O-N 3.16Å; C195-A197 VanDerWaalsContact SG-CB 3.54Å; A197-A199 VanDerWaalsContact C-N 3.31Å; A197-A199 PolarHBondContact O-N 2.65Å; A197-M200 PolarHBondContact O-N 3.02Å; A197-E201 WeakPolarHBondContact O-CB 3.48Å; A197-E201 VanDerWaalsContact O-CD 3.27Å; A197-E201 WeakPolarHBondContact O-CG 3.15Å; A197-E201 PolarHBondContact O-N 3.3Å; A197-T208 HydrophobicContact CB-CG2 3.52Å; A197-E339 WeakPolarHBondContact CB-OE2 3.46Å; A197-E339 PolarHBondContact N-OE2 3.29Å
198	E	93.8	Very high	91.6	Very high	16 Å²	16	15.8 Å²	15.8	8%	0.075	10%	0.103	C	C	.	.	H	α-helix	trans	-60.9	-43.4	-179.8	-63.9	-178.1	-131.1	0	0	111.3	W98 C195 T196 D202 R423 R470	W98-E198 HydrophobicContact CE3-CB 4.28Å; W98-E198 HydrophobicContact CH2-CB 4.35Å; W98-E198 HydrophobicContact CZ3-CB 3.63Å; C195-E198 HydrophobicContact CB-CG 4.34Å; C195-E198 PolarHBondContact N-OE1 2.92Å; C195-E198 WeakPolarHBondContact O-CB 3.39Å; C195-E198 PolarHBondContact O-N 3.36Å; T196-E198 VanDerWaalsContact C-N 3.25Å; T196-E198 PolarHBondContact O-N 3.19Å; E198-D202 WeakPolarHBondContact O-CB 3.47Å; E198-D202 PolarHBondContact O-N 3.44Å; E198-R423 IonicContact OE1-NH2 2.82Å; E198-R423 PolarHBondContact OE1-NH2 3Å; E198-R423 IonicContact OE2-CZ 2.86Å; E198-R423 IonicContact OE2-NE 3.74Å; E198-R423 PolarHBondContact OE2-NE 2.75Å; E198-R423 IonicContact OE2-NH2 3.19Å; E198-R423 PolarHBondContact OE2-NH2 2.87Å; E198-R470 HydrophobicContact CG-CB 3.83Å; E198-R470 HydrophobicContact CG-CG 4.49Å; E198-R470 PolarHBondContact O-NH1 2.88Å; E198-R470 PolarHBondContact O-NH2 2.94Å
199	A	95	Very high	91.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-73.5	-41.2	-179.9	0	0	0	0	0	110.8	W98 A102 T196 A197 E201 D202 F203	W98-A199 HydrophobicContact CE3-CB 3.63Å; W98-A199 HydrophobicContact CZ3-CB 3.55Å; A102-A199 HydrophobicContact CB-CB 3.46Å; A102-A199 VanDerWaalsContact CB-CB 3.46Å; T196-A199 PolarHBondContact O-N 2.6Å; T196-A199 VanDerWaalsContact O-N 3.1Å; A197-A199 VanDerWaalsContact C-N 3.31Å; A197-A199 PolarHBondContact O-N 2.65Å; A199-E201 VanDerWaalsContact C-N 3.32Å; A199-E201 PolarHBondContact O-N 3Å; A199-D202 PolarHBondContact O-N 3.33Å; A199-F203 HydrophobicContact CB-CD2 4.41Å; A199-F203 HydrophobicContact CB-CE2 3.93Å; A199-F203 HydrophobicContact CB-CZ 4.25Å; A199-F203 WeakPolarHBondContact O-CB 3.04Å; A199-F203 WeakPolarHBondContact O-CD2 3.48Å; A199-F203 WeakPolarHBondContact O-CG 3.22Å; A199-F203 PolarHBondContact O-N 2.92Å
200	M	94.6	Very high	91.6	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60	-42.8	176.5	-68.6	-171.1	-72	0	0	111.6	A102 T196 A197 F203 T204 T208 L234 A236 E339 C341	A102-M200 HydrophobicContact CB-CG 3.62Å; T196-M200 HydrophobicContact CG2-CE 4.11Å; T196-M200 HydrophobicContact CG2-CG 4.26Å; T196-M200 HydrophobicContact CG2-SD 4.38Å; T196-M200 WeakPolarHBondContact O-CG 3.35Å; T196-M200 PolarHBondContact O-N 2.89Å; A197-M200 PolarHBondContact O-N 3.02Å; M200-F203 PolarHBondContact O-N 2.82Å; M200-T204 WeakPolarHBondContact O-CB 3.34Å; M200-T204 WeakPolarHBondContact O-CG2 3.45Å; M200-T204 PolarHBondContact O-N 3.44Å; M200-T204 VanDerWaalsContact O-N 3.1Å; M200-T204 PolarHBondContact O-OG1 3.16Å; M200-T208 HydrophobicContact CE-CG2 4Å; M200-L234 HydrophobicContact CB-CD1 4.2Å; M200-L234 HydrophobicContact CG-CB 4.06Å; M200-L234 HydrophobicContact CG-CD1 4.05Å; M200-L234 HydrophobicContact SD-CB 3.53Å; M200-L234 VanDerWaalsContact SD-CB 3.53Å; M200-A236 HydrophobicContact CE-CB 4.2Å; M200-A236 HydrophobicContact SD-CB 4.37Å; M200-E339 HydrophobicContact CE-CB 3.66Å; M200-C341 HydrophobicContact CB-CB 3.65Å; M200-C341 HydrophobicContact CE-CB 4.16Å; M200-C341 HydrophobicContact CG-CB 4.28Å; M200-C341 HydrophobicContact SD-CB 3.79Å
201	E	94.1	Very high	91.7	Very high	3 Å²	3	18.7 Å²	18.7	1%	0.014	12%	0.118	C	C	.	.	H	α-helix	trans	-61.2	-47.5	172.4	-81.3	150.8	-153.5	0	0	112	A197 A199 F203 T204 G205 G206 T208 M418 R470 E471	A197-E201 WeakPolarHBondContact O-CB 3.48Å; A197-E201 VanDerWaalsContact O-CD 3.27Å; A197-E201 WeakPolarHBondContact O-CG 3.15Å; A197-E201 PolarHBondContact O-N 3.3Å; A199-E201 VanDerWaalsContact C-N 3.32Å; A199-E201 PolarHBondContact O-N 3Å; E201-F203 PolarHBondContact O-N 2.76Å; E201-T204 PolarHBondContact O-N 3.09Å; E201-G205 WeakPolarHBondContact O-CA 3.45Å; E201-G205 PolarHBondContact O-N 3.06Å; E201-G206 VanDerWaalsContact CG-O 3.32Å; E201-G206 WeakPolarHBondContact CG-O 3.14Å; E201-T208 VanDerWaalsContact OE1-CB 3.31Å; E201-T208 WeakPolarHBondContact OE1-CB 3.31Å; E201-T208 PolarHBondContact OE1-OG1 3.1Å; E201-M418 HydrophobicContact CB-CE 4.49Å; E201-M418 HydrophobicContact CG-CE 4.16Å; E201-M418 WeakPolarHBondContact OE2-CE 3.44Å; E201-R470 IonicContact OE2-CZ 3.3Å; E201-R470 IonicContact OE2-NE 3.12Å; E201-R470 PolarHBondContact OE2-NE 2.62Å; E201-R470 IonicContact OE2-NH2 2.75Å; E201-R470 PolarHBondContact OE2-NH2 2.9Å; E201-E471 VanDerWaalsContact OE1-OE2 3.07Å
202	D	94.7	Very high	91.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-67.8	-23	-178.8	-71.6	3.3	0	0	0	113.1	F139 W140 R141 Y181 E198 A199 R470	F139-D202 CarbonylContact C-O 3.58Å; F139-D202 WeakPolarHBondContact CA-O 3.32Å; W140-D202 PolarHBondContact N-O 3.45Å; W140-D202 VanDerWaalsContact O-CA 3.29Å; W140-D202 WeakPolarHBondContact O-CA 3.48Å; R141-D202 IonicContact CZ-OD2 3.82Å; R141-D202 IonicContact NH1-OD1 2.88Å; R141-D202 IonicContact NH1-OD2 2.72Å; R141-D202 PolarHBondContact NH1-OD2 2.76Å; Y181-D202 HydrophobicContact CE2-CB 3.91Å; Y181-D202 WeakPolarHBondContact CE2-OD2 3.41Å; Y181-D202 PolarHBondContact OH-OD2 2.92Å; E198-D202 WeakPolarHBondContact O-CB 3.47Å; E198-D202 PolarHBondContact O-N 3.44Å; A199-D202 PolarHBondContact O-N 3.33Å; D202-R470 VanDerWaalsContact CG-NH1 3.3Å; D202-R470 IonicContact OD1-CZ 3.18Å; D202-R470 VanDerWaalsContact OD1-CZ 3.25Å; D202-R470 IonicContact OD1-NH1 3.2Å; D202-R470 PolarHBondContact OD1-NH1 2.95Å; D202-R470 IonicContact OD1-NH2 2.71Å; D202-R470 PolarHBondContact OD1-NH2 3.04Å; D202-R470 IonicContact OD2-NH1 3.41Å; D202-R470 PolarHBondContact OD2-NH1 2.86Å
203	F	93.8	Very high	92	Very high	1 Å²	1	18.2 Å²	18.2	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-89	-17.8	176.9	-64	-19.7	0	0	0	113.5	V99 A102 L103 L106 V116 F139 L177 Y181 A199 M200 E201	V99-F203 HydrophobicContact CG1-CE2 4.43Å; V99-F203 HydrophobicContact CG1-CZ 3.86Å; A102-F203 HydrophobicContact CB-CD2 3.98Å; A102-F203 HydrophobicContact CB-CE2 3.85Å; L103-F203 HydrophobicContact CB-CE2 4Å; L103-F203 HydrophobicContact CD1-CE2 4.2Å; L103-F203 HydrophobicContact CD1-CZ 4.46Å; L106-F203 HydrophobicContact CD1-CB 4.48Å; L106-F203 HydrophobicContact CD2-CB 4.01Å; L106-F203 HydrophobicContact CD2-CD2 4.33Å; L106-F203 HydrophobicContact CD2-CG 4.23Å; V116-F203 HydrophobicContact CG1-CD1 4.06Å; V116-F203 HydrophobicContact CG2-CB 3.92Å; V116-F203 HydrophobicContact CG2-CD1 4.41Å; V116-F203 HydrophobicContact CG2-CG 4.44Å; V116-F203 WeakPolarHBondContact CG2-O 3.5Å; F139-F203 AromaticContact CD1-CD1 3.91Å; F139-F203 HydrophobicContact CD1-CD1 3.91Å; F139-F203 AromaticContact CD1-CE1 3.86Å; F139-F203 HydrophobicContact CD1-CE1 3.86Å; F139-F203 HydrophobicContact CE1-CD1 4.11Å; F139-F203 AromaticContact CE1-CE1 3.71Å; F139-F203 HydrophobicContact CE1-CE1 3.71Å; L177-F203 HydrophobicContact CD2-CZ 4.41Å; Y181-F203 HydrophobicContact CD2-CE1 4.32Å; Y181-F203 HydrophobicContact CE2-CE1 4.32Å; A199-F203 HydrophobicContact CB-CD2 4.41Å; A199-F203 HydrophobicContact CB-CE2 3.93Å; A199-F203 HydrophobicContact CB-CZ 4.25Å; A199-F203 WeakPolarHBondContact O-CB 3.04Å; A199-F203 WeakPolarHBondContact O-CD2 3.48Å; A199-F203 WeakPolarHBondContact O-CG 3.22Å; A199-F203 PolarHBondContact O-N 2.92Å; M200-F203 PolarHBondContact O-N 2.82Å; E201-F203 PolarHBondContact O-N 2.76Å
204	T	91	Very high	92.2	Very high	3 Å²	3	17.4 Å²	17.4	2%	0.018	12%	0.115	C	C	.	.	H	α-helix	trans	-134	-15.9	-169	66.4	0	0	0	0	115.4	L106 M200 E201 G206 L234 L343 S347	L106-T204 HydrophobicContact CD1-CG2 4.06Å; M200-T204 WeakPolarHBondContact O-CB 3.34Å; M200-T204 WeakPolarHBondContact O-CG2 3.45Å; M200-T204 PolarHBondContact O-N 3.44Å; M200-T204 VanDerWaalsContact O-N 3.1Å; M200-T204 PolarHBondContact O-OG1 3.16Å; E201-T204 PolarHBondContact O-N 3.09Å; T204-G206 PolarHBondContact O-N 3.36Å; T204-G206 WeakPolarHBondContact OG1-CA 3.22Å; T204-G206 PolarHBondContact OG1-N 2.93Å; T204-L234 HydrophobicContact CG2-CD1 3.5Å; T204-L234 HydrophobicContact CG2-CG 4.17Å; T204-L343 HydrophobicContact CG2-CD2 4.01Å; T204-S347 PolarHBondContact O-OG 2.78Å; T204-S347 VanDerWaalsContact O-OG 3.05Å
205	G	90.2	Very high	92.3	Very high	12 Å²	12	21.1 Å²	21.1	12%	0.124	14%	0.142	C	C	.	.			trans	63.9	9	-163.8	0	0	0	0	0	114.1	E201 R501	E201-G205 WeakPolarHBondContact O-CA 3.45Å; E201-G205 PolarHBondContact O-N 3.06Å; G205-R501 PolarHBondContact O-NH1 3.35Å
206	G	89.8	Confident	92.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.166	C	C	.	.			trans	-69	171.7	-177.8	0	0	0	0	0	113.6	E201 T204 H342 R501	E201-G206 VanDerWaalsContact CG-O 3.32Å; E201-G206 WeakPolarHBondContact CG-O 3.14Å; T204-G206 PolarHBondContact O-N 3.36Å; T204-G206 WeakPolarHBondContact OG1-CA 3.22Å; T204-G206 PolarHBondContact OG1-N 2.93Å; G206-H342 CarbonylContact C-O 3.51Å; G206-H342 WeakPolarHBondContact CA-O 3.26Å; G206-R501 PolarHBondContact O-NH1 2.94Å; G206-R501 PolarHBondContact O-NH2 3Å
207	L	89.7	Confident	92.2	Very high	7 Å²	7	28.4 Å²	28.4	4%	0.037	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	125.3	176.4	-178.9	72.8	0	0	0	109.4	H342 V414 C473 F503	L207-H342 PolarHBondContact N-O 3.05Å; L207-H342 PolarHBondContact O-N 2.88Å; L207-V414 HydrophobicContact CD2-CB 4.25Å; L207-V414 HydrophobicContact CD2-CG1 3.53Å; L207-C473 HydrophobicContact CD1-CB 4.42Å; L207-F503 HydrophobicContact CB-CE2 3.98Å; L207-F503 HydrophobicContact CB-CZ 3.95Å; L207-F503 HydrophobicContact CD1-CE2 3.98Å; L207-F503 HydrophobicContact CD2-CD2 3.6Å; L207-F503 HydrophobicContact CD2-CE2 3.51Å; L207-F503 HydrophobicContact CD2-CG 4.37Å; L207-F503 HydrophobicContact CD2-CZ 4.19Å; L207-F503 HydrophobicContact CG-CE2 4.02Å; L207-F503 HydrophobicContact CG-CZ 4.5Å
208	T	92.4	Very high	92	Very high	5 Å²	5	30.3 Å²	30.3	3%	0.031	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	123.8	-177.3	-43.9	0	0	0	0	112	A197 M200 E201 E339 L340 C341 C473	A197-T208 HydrophobicContact CB-CG2 3.52Å; M200-T208 HydrophobicContact CE-CG2 4Å; E201-T208 VanDerWaalsContact OE1-CB 3.31Å; E201-T208 WeakPolarHBondContact OE1-CB 3.31Å; E201-T208 PolarHBondContact OE1-OG1 3.1Å; T208-E339 HydrophobicContact CG2-CB 4.18Å; T208-L340 CarbonylContact C-O 3.4Å; T208-L340 WeakPolarHBondContact CA-O 3.29Å; T208-C341 HydrophobicContact CG2-CB 4.43Å; T208-C473 WeakPolarHBondContact O-CB 3.21Å
209	E	90.5	Very high	91.9	Very high	31 Å²	31	36.7 Å²	36.7	15%	0.145	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	137.2	167.8	-71.2	-176.8	-152	0	0	110.2	L340 H342 R475	E209-L340 PolarHBondContact N-O 3.14Å; E209-L340 PolarHBondContact O-N 2.91Å; E209-H342 IonicContact OE1-CD2 3.97Å; E209-H342 IonicContact OE1-NE2 2.76Å; E209-R475 VanDerWaalsContact CD-NH2 3.31Å; E209-R475 IonicContact OE1-CZ 2.73Å; E209-R475 IonicContact OE1-NE 2.73Å; E209-R475 PolarHBondContact OE1-NE 2.61Å; E209-R475 IonicContact OE1-NH2 2.66Å; E209-R475 PolarHBondContact OE1-NH2 2.7Å; E209-R475 IonicContact OE2-CZ 2.85Å; E209-R475 IonicContact OE2-NE 3.2Å; E209-R475 IonicContact OE2-NH2 3.76Å; E209-R475 PolarHBondContact OE2-NH2 3.19Å
210	L	92.1	Very high	91.7	Very high	67 Å²	67	41.4 Å²	41.4	35%	0.351	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132.5	176.8	-65.4	170	0	0	0	109.7	E339 M469	L210-E339 HydrophobicContact CD2-CB 4Å; L210-E339 HydrophobicContact CD2-CG 3.55Å; L210-M469 HydrophobicContact CD1-CE 3.12Å; L210-M469 HydrophobicContact CD1-SD 3.6Å
211	V	92.2	Very high	91.7	Very high	22 Å²	22	41.5 Å²	41.5	13%	0.133	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	116.8	179.1	-178.4	0	0	0	0	108.9	L213 P218 L221 R337 L338 L340	V211-L213 PolarHBondContact O-N 3.3Å; V211-P218 HydrophobicContact CG1-CG 4.12Å; V211-L221 HydrophobicContact CG1-CD1 4.12Å; V211-R337 WeakPolarHBondContact O-CA 3.41Å; V211-L338 HydrophobicContact CB-CB 4.24Å; V211-L338 HydrophobicContact CB-CD2 4.48Å; V211-L338 PolarHBondContact N-O 2.92Å; V211-L338 PolarHBondContact O-N 3.19Å; V211-L340 HydrophobicContact CG2-CD1 4.24Å
212	D	92.4	Very high	91.7	Very high	79 Å²	79	42.1 Å²	42.1	42%	0.422	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	125.7	167.2	-77.4	-9.4	0	0	0	109.1	K216 A217	D212-K216 HydrophobicContact CB-CB 4.04Å; D212-K216 HydrophobicContact CB-CD 4.02Å; D212-K216 WeakPolarHBondContact OD2-CD 3.41Å; D212-K216 IonicContact OD2-NZ 3.6Å; D212-K216 PolarHBondContact OD2-NZ 3.27Å; D212-K216 VanDerWaalsContact OD2-NZ 3.17Å; D212-A217 WeakPolarHBondContact O-CA 3.47Å; D212-A217 PolarHBondContact O-N 2.65Å
213	L	95.1	Very high	91.6	Very high	13 Å²	13	43.3 Å²	43.3	7%	0.068	27%	0.267	C	S	.	.			trans	-88	-172.6	176.5	-63.8	175.1	0	0	0	111.3	V211 L221 F331 F335 S336 L338	V211-L213 PolarHBondContact O-N 3.3Å; L213-L221 HydrophobicContact CD2-CD2 3.48Å; L213-L221 VanDerWaalsContact CD2-CD2 3.48Å; L213-F331 HydrophobicContact CD1-CE1 3.99Å; L213-F331 HydrophobicContact CD1-CE2 4.04Å; L213-F331 HydrophobicContact CD1-CZ 3.6Å; L213-F331 HydrophobicContact CD2-CE1 4.07Å; L213-F331 HydrophobicContact CD2-CZ 4.38Å; L213-F335 VanDerWaalsContact CB-O 3.24Å; L213-F335 WeakPolarHBondContact CB-O 3.33Å; L213-F335 HydrophobicContact CD1-CB 3.44Å; L213-F335 VanDerWaalsContact CD1-CB 3.44Å; L213-S336 PolarHBondContact N-O 3.33Å; L213-L338 HydrophobicContact CD1-CB 4.25Å; L213-L338 HydrophobicContact CD2-CB 4.11Å; L213-L338 HydrophobicContact CG-CB 4.27Å
214	G	92.2	Very high	91.4	Very high	33 Å²	33	45.7 Å²	45.7	34%	0.34	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	69.6	-137.7	-173.3	0	0	0	0	0	113	K216 A217 V332	G214-K216 PolarHBondContact O-N 2.69Å; G214-K216 VanDerWaalsContact O-N 3.13Å; G214-A217 VanDerWaalsContact O-CB 3.31Å; G214-A217 WeakPolarHBondContact O-CB 3.47Å; G214-A217 PolarHBondContact O-N 2.88Å; G214-A217 VanDerWaalsContact O-N 3.13Å; G214-V332 VanDerWaalsContact CA-O 3.27Å; G214-V332 WeakPolarHBondContact CA-O 3.34Å; G214-V332 PolarHBondContact N-O 2.7Å
215	A	89.4	Confident	91.4	Very high	116 Å²	116	45.5 Å²	45.5	96%	0.959	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-66	-16.2	-173.1	0	0	0	0	0	114.6
216	K	87.8	Confident	91.4	Very high	157 Å²	157	48.3 Å²	48.3	68%	0.683	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-94.4	-6.1	178.6	-63.6	179.4	-176.4	172.7	0	113.3	D212 G214	D212-K216 HydrophobicContact CB-CB 4.04Å; D212-K216 HydrophobicContact CB-CD 4.02Å; D212-K216 WeakPolarHBondContact OD2-CD 3.41Å; D212-K216 IonicContact OD2-NZ 3.6Å; D212-K216 PolarHBondContact OD2-NZ 3.27Å; D212-K216 VanDerWaalsContact OD2-NZ 3.17Å; G214-K216 PolarHBondContact O-N 2.69Å; G214-K216 VanDerWaalsContact O-N 3.13Å
217	A	91.6	Very high	91	Very high	22 Å²	22	53.3 Å²	53.3	18%	0.182	31%	0.311	C	S	.	.	S	Bend	trans	-61.3	139.5	-176.2	0	0	0	0	0	111.4	D212 G214 T219 L221 V332	D212-A217 WeakPolarHBondContact O-CA 3.47Å; D212-A217 PolarHBondContact O-N 2.65Å; G214-A217 VanDerWaalsContact O-CB 3.31Å; G214-A217 WeakPolarHBondContact O-CB 3.47Å; G214-A217 PolarHBondContact O-N 2.88Å; G214-A217 VanDerWaalsContact O-N 3.13Å; A217-T219 PolarHBondContact O-N 2.86Å; A217-L221 HydrophobicContact CB-CD2 4.2Å; A217-V332 HydrophobicContact CB-CG1 3.97Å
218	P	90.2	Very high	90.7	Very high	50 Å²	50	53 Å²	53	33%	0.325	31%	0.309	S	S	.	.			trans	-57.3	138	172.5	-23.4	32.7	0	0	0	111.7	V211 N220 L221 I224	V211-P218 HydrophobicContact CG1-CG 4.12Å; P218-N220 PolarHBondContact O-N 3.5Å; P218-L221 HydrophobicContact CB-CB 4.41Å; P218-L221 WeakPolarHBondContact O-CB 3.29Å; P218-L221 PolarHBondContact O-N 3.24Å; P218-I224 HydrophobicContact CB-CD1 4.19Å
219	T	90.7	Very high	90.3	Very high	150 Å²	150	54.3 Å²	54.3	92%	0.92	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-29	-178.7	52.7	0	0	0	0	113.1	A217	A217-T219 PolarHBondContact O-N 2.86Å
220	N	91.7	Very high	89.6	Confident	99 Å²	99	58.6 Å²	58.6	53%	0.529	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	18.3	177.2	69.7	-28.3	0	0	0	113.6	P218 F222 G223 I224	P218-N220 PolarHBondContact O-N 3.5Å; N220-F222 VanDerWaalsContact C-N 3.25Å; N220-F222 PolarHBondContact O-N 3.17Å; N220-F222 VanDerWaalsContact O-N 3.15Å; N220-G223 PolarHBondContact O-N 2.83Å; N220-I224 PolarHBondContact O-N 3.43Å; N220-I224 VanDerWaalsContact O-N 3.15Å; N220-I224 WeakPolarHBondContact OD1-CD1 3.41Å
221	L	94.2	Very high	88.9	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.01	35%	0.351	C	S	.	.	H	α-helix	trans	-51.8	-40.9	-174.7	-179.8	61.4	0	0	0	113.5	V211 L213 A217 P218 G223 I224 M225 F328 V332 L338	V211-L221 HydrophobicContact CG1-CD1 4.12Å; L213-L221 HydrophobicContact CD2-CD2 3.48Å; L213-L221 VanDerWaalsContact CD2-CD2 3.48Å; A217-L221 HydrophobicContact CB-CD2 4.2Å; P218-L221 HydrophobicContact CB-CB 4.41Å; P218-L221 WeakPolarHBondContact O-CB 3.29Å; P218-L221 PolarHBondContact O-N 3.24Å; L221-G223 VanDerWaalsContact C-N 3.32Å; L221-G223 PolarHBondContact O-N 3.02Å; L221-I224 WeakPolarHBondContact O-CB 3.46Å; L221-I224 PolarHBondContact O-N 3.42Å; L221-I224 VanDerWaalsContact O-N 3.11Å; L221-M225 HydrophobicContact CD1-CG 4.17Å; L221-M225 HydrophobicContact CD1-SD 4.37Å; L221-M225 HydrophobicContact CG-CG 4.38Å; L221-M225 HydrophobicContact CG-SD 4.13Å; L221-M225 WeakPolarHBondContact O-CG 3.48Å; L221-M225 PolarHBondContact O-N 3.07Å; L221-F328 HydrophobicContact CB-CZ 4.04Å; L221-F328 HydrophobicContact CD2-CZ 4Å; L221-F328 HydrophobicContact CG-CZ 3.89Å; L221-V332 HydrophobicContact CD2-CG2 4.24Å; L221-L338 HydrophobicContact CD1-CD2 3.79Å
222	F	95.1	Very high	88.3	Confident	16 Å²	16	61.9 Å²	61.9	7%	0.07	35%	0.347	C	S	.	.	H	α-helix	trans	-55.5	-46.1	177.4	-175	-90.5	0	0	0	112.3	N220 M225 E226 I265 Q267 R278 F328	N220-F222 VanDerWaalsContact C-N 3.25Å; N220-F222 PolarHBondContact O-N 3.17Å; N220-F222 VanDerWaalsContact O-N 3.15Å; F222-M225 PolarHBondContact O-N 3.38Å; F222-E226 WeakPolarHBondContact O-CB 3.37Å; F222-E226 PolarHBondContact O-N 2.87Å; F222-I265 HydrophobicContact CD2-CD1 3.52Å; F222-I265 HydrophobicContact CD2-CG1 3.97Å; F222-I265 HydrophobicContact CE2-CD1 3.58Å; F222-I265 HydrophobicContact CE2-CG1 3.45Å; F222-I265 VanDerWaalsContact CE2-CG1 3.45Å; F222-I265 HydrophobicContact CG-CD1 4.23Å; F222-I265 HydrophobicContact CZ-CD1 4.33Å; F222-I265 HydrophobicContact CZ-CG1 4.02Å; F222-Q267 HydrophobicContact CZ-CB 4.31Å; F222-R278 HydrophobicContact CD1-CG 4.46Å; F222-R278 HydrophobicContact CD2-CB 3.82Å; F222-R278 HydrophobicContact CD2-CG 3.93Å; F222-R278 HydrophobicContact CE1-CG 4.26Å; F222-R278 HydrophobicContact CE2-CB 3.48Å; F222-R278 VanDerWaalsContact CE2-CB 3.48Å; F222-R278 HydrophobicContact CE2-CG 3.7Å; F222-R278 HydrophobicContact CG-CG 4.31Å; F222-R278 HydrophobicContact CZ-CB 4.08Å; F222-R278 HydrophobicContact CZ-CG 3.88Å; F222-F328 HydrophobicContact CB-CD1 4.31Å; F222-F328 HydrophobicContact CB-CE1 3.89Å; F222-F328 HydrophobicContact CB-CE2 4.25Å; F222-F328 HydrophobicContact CB-CZ 3.86Å; F222-F328 HydrophobicContact CD2-CB 4.25Å; F222-F328 HydrophobicContact CD2-CD1 4.14Å; F222-F328 AromaticContact CD2-CD2 3.69Å; F222-F328 HydrophobicContact CD2-CD2 3.69Å; F222-F328 HydrophobicContact CD2-CE1 4.44Å; F222-F328 HydrophobicContact CD2-CE2 4.02Å; F222-F328 AromaticContact CD2-CG 3.74Å; F222-F328 HydrophobicContact CD2-CG 3.74Å; F222-F328 HydrophobicContact CD2-CZ 4.38Å; F222-F328 HydrophobicContact CE2-CD2 4.43Å; F222-F328 HydrophobicContact CE2-CG 4.5Å
223	G	91.3	Very high	88	Confident	25 Å²	25	58.3 Å²	58.3	26%	0.258	33%	0.328	S	S	.	.	H	α-helix	trans	-68.9	-34.2	177.9	0	0	0	0	0	112.5	N220 L221 H227	N220-G223 PolarHBondContact O-N 2.83Å; L221-G223 VanDerWaalsContact C-N 3.32Å; L221-G223 PolarHBondContact O-N 3.02Å; G223-H227 WeakPolarHBondContact O-CB 3.26Å; G223-H227 PolarHBondContact O-CD2 3.4Å; G223-H227 PolarHBondContact O-N 3.31Å
224	I	89.3	Confident	87.8	Confident	50 Å²	50	57.7 Å²	57.7	26%	0.256	33%	0.325	S	S	.	.	H	α-helix	trans	-60.1	-48.4	173.3	-64.3	173.3	0	0	0	110	P218 N220 L221 H227 A228 L340	P218-I224 HydrophobicContact CB-CD1 4.19Å; N220-I224 PolarHBondContact O-N 3.43Å; N220-I224 VanDerWaalsContact O-N 3.15Å; N220-I224 WeakPolarHBondContact OD1-CD1 3.41Å; L221-I224 WeakPolarHBondContact O-CB 3.46Å; L221-I224 PolarHBondContact O-N 3.42Å; L221-I224 VanDerWaalsContact O-N 3.11Å; I224-H227 PolarHBondContact O-N 3.38Å; I224-A228 WeakPolarHBondContact O-CB 3.22Å; I224-A228 PolarHBondContact O-N 3.26Å; I224-L340 HydrophobicContact CG2-CD1 3.95Å
225	M	92.6	Very high	87.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-66.6	-42	179.9	-67.7	-178.1	72.7	0	0	112.4	L221 F222 H227 A228 L229 M235 V262 I265 I280 F328 F331 L338	L221-M225 HydrophobicContact CD1-CG 4.17Å; L221-M225 HydrophobicContact CD1-SD 4.37Å; L221-M225 HydrophobicContact CG-CG 4.38Å; L221-M225 HydrophobicContact CG-SD 4.13Å; L221-M225 WeakPolarHBondContact O-CG 3.48Å; L221-M225 PolarHBondContact O-N 3.07Å; F222-M225 PolarHBondContact O-N 3.38Å; M225-H227 VanDerWaalsContact C-N 3.32Å; M225-H227 PolarHBondContact O-N 2.95Å; M225-A228 WeakPolarHBondContact O-CB 3.31Å; M225-A228 PolarHBondContact O-N 3.08Å; M225-A228 VanDerWaalsContact O-N 3.13Å; M225-L229 PolarHBondContact O-N 3.31Å; M225-M235 HydrophobicContact CB-SD 4.29Å; M225-M235 HydrophobicContact CE-SD 4.28Å; M225-M235 HydrophobicContact CG-SD 4.47Å; M225-V262 HydrophobicContact CE-CG1 4.03Å; M225-V262 HydrophobicContact CE-CG2 4.32Å; M225-I265 HydrophobicContact CB-CD1 3.67Å; M225-I265 HydrophobicContact CE-CD1 4.36Å; M225-I265 HydrophobicContact SD-CD1 4.16Å; M225-I280 HydrophobicContact CE-CD1 3.53Å; M225-F328 HydrophobicContact SD-CE2 3.77Å; M225-F328 HydrophobicContact SD-CZ 4.43Å; M225-F331 HydrophobicContact CE-CE1 4.22Å; M225-F331 HydrophobicContact CE-CZ 4.41Å; M225-F331 HydrophobicContact SD-CE1 4.06Å; M225-L338 HydrophobicContact CE-CD1 3.68Å; M225-L338 HydrophobicContact CE-CD2 4.03Å; M225-L338 HydrophobicContact CG-CD2 3.79Å; M225-L338 HydrophobicContact SD-CD1 4.37Å; M225-L338 HydrophobicContact SD-CD2 3.61Å
226	E	88.6	Confident	88.2	Confident	71 Å²	71	50.7 Å²	50.7	33%	0.332	26%	0.263	S	S	.	.	H	α-helix	trans	-61	-42.4	175.9	-173.1	179.6	-128.4	0	0	111.2	F222 A228 N230 I265	F222-E226 WeakPolarHBondContact O-CB 3.37Å; F222-E226 PolarHBondContact O-N 2.87Å; E226-A228 VanDerWaalsContact C-N 3.34Å; E226-N230 WeakPolarHBondContact O-CB 3.43Å; E226-N230 VanDerWaalsContact O-CG 3.31Å; E226-N230 PolarHBondContact O-N 2.96Å; E226-N230 PolarHBondContact O-ND2 3.15Å; E226-I265 HydrophobicContact CB-CG2 4.34Å
227	H	81.8	Confident	88.6	Confident	104 Å²	104	43.2 Å²	43.2	48%	0.481	23%	0.231	S	C	.	.	H	α-helix	trans	-68.4	-31.5	174.3	-74.5	-52.5	0	0	0	113.5	G223 I224 M225 R231	G223-H227 WeakPolarHBondContact O-CB 3.26Å; G223-H227 PolarHBondContact O-CD2 3.4Å; G223-H227 PolarHBondContact O-N 3.31Å; I224-H227 PolarHBondContact O-N 3.38Å; M225-H227 VanDerWaalsContact C-N 3.32Å; M225-H227 PolarHBondContact O-N 2.95Å; H227-R231 WeakPolarHBondContact O-CB 3.27Å; H227-R231 WeakPolarHBondContact O-CG 3.49Å; H227-R231 PolarHBondContact O-N 3.26Å; H227-R231 PolarHBondContact O-NE 3.39Å; H227-R231 VanDerWaalsContact O-NE 3.16Å
228	A	84.5	Confident	88.7	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-67	-48.3	175.3	0	0	0	0	0	110.6	I224 M225 E226 N230 R231 A232 S233 M235 L340	I224-A228 WeakPolarHBondContact O-CB 3.22Å; I224-A228 PolarHBondContact O-N 3.26Å; M225-A228 WeakPolarHBondContact O-CB 3.31Å; M225-A228 PolarHBondContact O-N 3.08Å; M225-A228 VanDerWaalsContact O-N 3.13Å; E226-A228 VanDerWaalsContact C-N 3.34Å; A228-N230 PolarHBondContact O-N 3.13Å; A228-R231 CarbonylContact O-C 3.5Å; A228-R231 PolarHBondContact O-N 2.87Å; A228-A232 PolarHBondContact O-N 3.31Å; A228-S233 WeakPolarHBondContact O-CB 3.27Å; A228-S233 PolarHBondContact O-N 3.39Å; A228-S233 PolarHBondContact O-OG 3.29Å; A228-M235 HydrophobicContact CB-SD 3.9Å; A228-L340 HydrophobicContact CB-CD2 4.35Å
229	L	82.3	Confident	88.9	Confident	34 Å²	34	41.1 Å²	41.1	18%	0.178	22%	0.215	C	C	.	.	H	α-helix	trans	-58.6	-46.1	176.2	-167.8	71.4	0	0	0	111.6	M225 R231 A232 M235 I265	M225-L229 PolarHBondContact O-N 3.31Å; L229-R231 PolarHBondContact O-N 3.32Å; L229-R231 VanDerWaalsContact O-N 3.11Å; L229-A232 PolarHBondContact O-N 2.75Å; L229-M235 HydrophobicContact CB-CE 3.74Å; L229-M235 HydrophobicContact CD1-CE 3.71Å; L229-M235 HydrophobicContact CG-CE 4.3Å; L229-I265 HydrophobicContact CD2-CG2 4.08Å
230	N	76.8	Confident	88.9	Confident	121 Å²	121	37.6 Å²	37.6	65%	0.647	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.6	177.5	-76.7	-48.6	0	0	0	114.2	E226 A228	E226-N230 WeakPolarHBondContact O-CB 3.43Å; E226-N230 VanDerWaalsContact O-CG 3.31Å; E226-N230 PolarHBondContact O-N 2.96Å; E226-N230 PolarHBondContact O-ND2 3.15Å; A228-N230 PolarHBondContact O-N 3.13Å
231	R	76.1	Confident	88.8	Confident	151 Å²	151	34.5 Å²	34.5	57%	0.57	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.1	16.9	176.1	-72.8	-173.5	-79	-134	6.1	112.7	H227 A228 L229 S233	H227-R231 WeakPolarHBondContact O-CB 3.27Å; H227-R231 WeakPolarHBondContact O-CG 3.49Å; H227-R231 PolarHBondContact O-N 3.26Å; H227-R231 PolarHBondContact O-NE 3.39Å; H227-R231 VanDerWaalsContact O-NE 3.16Å; A228-R231 CarbonylContact O-C 3.5Å; A228-R231 PolarHBondContact O-N 2.87Å; L229-R231 PolarHBondContact O-N 3.32Å; L229-R231 VanDerWaalsContact O-N 3.11Å; R231-S233 PolarHBondContact O-N 3.11Å; R231-S233 VanDerWaalsContact O-N 3.14Å
232	A	80.3	Confident	88.4	Confident	7 Å²	7	38.5 Å²	38.5	6%	0.058	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	25.6	-177.9	0	0	0	0	0	114.3	Y109 A228 L229 L343	Y109-A232 HydrophobicContact CD1-CB 3.6Å; Y109-A232 VanDerWaalsContact CE1-CA 3.47Å; Y109-A232 HydrophobicContact CE1-CB 3.51Å; Y109-A232 HydrophobicContact CG-CB 4.31Å; A228-A232 PolarHBondContact O-N 3.31Å; L229-A232 PolarHBondContact O-N 2.75Å; A232-L343 HydrophobicContact CB-CD1 4.01Å; A232-L343 WeakPolarHBondContact O-CD1 3.29Å
233	S	86	Confident	87.6	Confident	3 Å²	3	43.4 Å²	43.4	2%	0.021	23%	0.234	C	C	.	.			trans	-64.1	138.8	171.6	-63.6	0	0	0	0	109.8	Y109 A228 R231 C341 H342	Y109-S233 PolarHBondContact OH-O 2.91Å; A228-S233 WeakPolarHBondContact O-CB 3.27Å; A228-S233 PolarHBondContact O-N 3.39Å; A228-S233 PolarHBondContact O-OG 3.29Å; R231-S233 PolarHBondContact O-N 3.11Å; R231-S233 VanDerWaalsContact O-N 3.14Å; S233-C341 VanDerWaalsContact CA-O 3.27Å; S233-C341 WeakPolarHBondContact CA-O 3.36Å; S233-C341 VanDerWaalsContact CB-O 3.22Å; S233-C341 WeakPolarHBondContact CB-O 3.41Å; S233-H342 PolarHBondContact OG-ND1 3.31Å
234	L	91.3	Very high	87	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	140	170.6	-52.9	-172.6	0	0	0	108.6	L106 Y109 M200 T204 C341	L106-L234 HydrophobicContact CB-CD1 4.31Å; L106-L234 HydrophobicContact CD1-CD1 4.21Å; Y109-L234 HydrophobicContact CD2-CD2 3.51Å; Y109-L234 HydrophobicContact CE2-CD2 3.55Å; M200-L234 HydrophobicContact CB-CD1 4.2Å; M200-L234 HydrophobicContact CG-CB 4.06Å; M200-L234 HydrophobicContact CG-CD1 4.05Å; M200-L234 HydrophobicContact SD-CB 3.53Å; M200-L234 VanDerWaalsContact SD-CB 3.53Å; T204-L234 HydrophobicContact CG2-CD1 3.5Å; T204-L234 HydrophobicContact CG2-CG 4.17Å; L234-C341 HydrophobicContact CB-CB 4.09Å; L234-C341 PolarHBondContact N-O 2.86Å; L234-C341 VanDerWaalsContact N-O 3.12Å; L234-C341 PolarHBondContact O-N 2.84Å
235	M	93.3	Very high	86.5	Confident	2 Å²	2	53 Å²	53	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	136.7	-178.7	-63.4	-170.2	-75.7	0	0	110	S105 M225 A228 L229 V262 E339 L340	S105-M235 PolarHBondContact OG-O 2.9Å; M225-M235 HydrophobicContact CB-SD 4.29Å; M225-M235 HydrophobicContact CE-SD 4.28Å; M225-M235 HydrophobicContact CG-SD 4.47Å; A228-M235 HydrophobicContact CB-SD 3.9Å; L229-M235 HydrophobicContact CB-CE 3.74Å; L229-M235 HydrophobicContact CD1-CE 3.71Å; L229-M235 HydrophobicContact CG-CE 4.3Å; M235-V262 HydrophobicContact CB-CB 3.73Å; M235-V262 HydrophobicContact CB-CG1 4.37Å; M235-V262 HydrophobicContact CB-CG2 4.13Å; M235-V262 HydrophobicContact CE-CG1 4.12Å; M235-V262 PolarHBondContact O-N 3.21Å; M235-V262 VanDerWaalsContact O-N 3.09Å; M235-E339 WeakPolarHBondContact CA-O 3.37Å; M235-L340 HydrophobicContact CB-CD2 4.3Å; M235-L340 HydrophobicContact CG-CD2 3.45Å; M235-L340 VanDerWaalsContact CG-CD2 3.45Å; M235-L340 HydrophobicContact SD-CD2 3.45Å; M235-L340 WeakPolarHBondContact SD-CD2 3.21Å
236	A	95.9	Very high	85.6	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	160.6	174.8	0	0	0	0	0	109.7	T196 M200 Y260 E339	T196-A236 HydrophobicContact CG2-CB 3.32Å; M200-A236 HydrophobicContact CE-CB 4.2Å; M200-A236 HydrophobicContact SD-CB 4.37Å; A236-Y260 CarbonylContact C-O 3.6Å; A236-Y260 WeakPolarHBondContact CA-O 3.34Å; A236-Y260 WeakPolarHBondContact CB-O 3.47Å; A236-E339 PolarHBondContact N-O 3.26Å; A236-E339 PolarHBondContact O-N 3.33Å
237	C	96.3	Very high	85.3	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	161.1	178	55.5	0	0	0	0	110.7	Y260 V262 F331 F335 R337 L338	C237-Y260 PolarHBondContact N-O 2.86Å; C237-Y260 PolarHBondContact O-N 3.01Å; C237-V262 HydrophobicContact CB-CG2 4.44Å; C237-F331 HydrophobicContact CB-CE2 3.82Å; C237-F331 HydrophobicContact CB-CZ 4.15Å; C237-F335 HydrophobicContact CB-CD1 3.85Å; C237-F335 HydrophobicContact CB-CE1 4.34Å; C237-F335 VanDerWaalsContact SG-CE1 3.53Å; C237-R337 CarbonylContact C-O 3.33Å; C237-R337 WeakPolarHBondContact CA-O 3.45Å; C237-R337 VanDerWaalsContact CB-O 3.27Å; C237-R337 WeakPolarHBondContact CB-O 3.38Å; C237-L338 HydrophobicContact CB-CD1 4.49Å
238	S	95.3	Very high	85.5	Confident	18 Å²	18	54.4 Å²	54.4	13%	0.126	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	159.3	-179.8	55.1	0	0	0	0	111.5	H258 S336 R337	S238-H258 WeakPolarHBondContact CA-O 3.39Å; S238-H258 WeakPolarHBondContact CB-O 3.32Å; S238-S336 PolarHBondContact O-N 3.14Å; S238-R337 PolarHBondContact N-O 3.3Å; S238-R337 PolarHBondContact O-N 2.89Å; S238-R337 VanDerWaalsContact O-N 3.13Å
239	I	94.3	Very high	85.8	Confident	10 Å²	10	61.3 Å²	61.3	5%	0.051	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128	173.9	-44.6	179.3	0	0	0	107.2	L254 L256 G257 Y334 F335	I239-L254 HydrophobicContact CD1-CB 3.69Å; I239-L254 HydrophobicContact CD1-CD1 3.83Å; I239-L254 HydrophobicContact CD1-CG 4.24Å; I239-L256 HydrophobicContact CB-CD2 4.1Å; I239-L256 HydrophobicContact CD1-CD2 4.46Å; I239-L256 HydrophobicContact CG2-CD2 3.43Å; I239-L256 VanDerWaalsContact CG2-CD2 3.43Å; I239-G257 WeakPolarHBondContact O-CA 3.39Å; I239-G257 PolarHBondContact O-N 2.87Å; I239-Y334 WeakPolarHBondContact CG2-O 3.4Å; I239-F335 HydrophobicContact CD1-CD1 4.31Å; I239-F335 HydrophobicContact CD1-CE1 4.11Å; I239-F335 HydrophobicContact CD1-CE2 4.41Å; I239-F335 HydrophobicContact CD1-CZ 4.15Å; I239-F335 HydrophobicContact CG1-CD1 3.62Å; I239-F335 HydrophobicContact CG1-CE1 3.77Å; I239-F335 HydrophobicContact CG1-CG 4.05Å; I239-F335 HydrophobicContact CG1-CZ 4.3Å
240	D	90.7	Very high	86.2	Confident	76 Å²	76	60.6 Å²	60.6	41%	0.406	32%	0.322	S	S	.	.			trans	-69	141.4	178.1	-73.9	-13.8	0	0	0	110.4	S336 R337	D240-S336 PolarHBondContact N-OG 2.99Å; D240-R337 IonicContact OD1-CZ 3.36Å; D240-R337 IonicContact OD1-NE 3.68Å; D240-R337 PolarHBondContact OD1-NE 2.81Å; D240-R337 IonicContact OD1-NH2 2.63Å; D240-R337 PolarHBondContact OD1-NH2 3.44Å; D240-R337 IonicContact OD2-CZ 3.19Å; D240-R337 IonicContact OD2-NE 2.77Å; D240-R337 PolarHBondContact OD2-NE 2.9Å; D240-R337 IonicContact OD2-NH2 2.74Å; D240-R337 PolarHBondContact OD2-NH2 2.78Å
241	A	88.5	Confident	87	Confident	34 Å²	34	57.9 Å²	57.9	28%	0.281	31%	0.311	S	S	.	.			trans	-120.6	171.6	172.9	0	0	0	0	0	110.3	E245 L256	A241-E245 WeakPolarHBondContact CB-O 3.3Å; A241-L256 HydrophobicContact CB-CB 3.77Å
242	D	85.5	Confident	87.8	Confident	86 Å²	86	54 Å²	54	46%	0.46	30%	0.301	S	S	.	.			trans	-59.4	137	161.7	-170	-68.7	0	0	0	109	H244 E245	D242-H244 PolarHBondContact O-N 2.76Å; D242-H244 WeakPolarHBondContact OD1-CB 3.27Å; D242-H244 IonicContact OD1-CG 3.51Å; D242-H244 PolarHBondContact OD1-N 2.84Å; D242-H244 IonicContact OD1-ND1 2.89Å; D242-H244 PolarHBondContact OD1-ND1 3.42Å; D242-E245 HydrophobicContact CB-CB 4.25Å; D242-E245 HydrophobicContact CB-CG 4.18Å; D242-E245 PolarHBondContact O-N 3.44Å
243	P	78.7	Confident	88.4	Confident	119 Å²	119	55.2 Å²	55.2	77%	0.773	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-20.5	177.8	-27.9	34.9	0	0	0	115.6
244	H	79	Confident	88.8	Confident	173 Å²	173	55.1 Å²	55.1	80%	0.801	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-8.7	178.7	-55.9	64.9	0	0	0	112.5	D242	D242-H244 PolarHBondContact O-N 2.76Å; D242-H244 WeakPolarHBondContact OD1-CB 3.27Å; D242-H244 IonicContact OD1-CG 3.51Å; D242-H244 PolarHBondContact OD1-N 2.84Å; D242-H244 IonicContact OD1-ND1 2.89Å; D242-H244 PolarHBondContact OD1-ND1 3.42Å
245	E	78.8	Confident	89	Confident	103 Å²	103	55.3 Å²	55.3	48%	0.481	31%	0.314	S	S	.	.			trans	-108.7	107	-179.6	-70	-170.6	167.3	0	0	109.8	A241 D242 A248	A241-E245 WeakPolarHBondContact CB-O 3.3Å; D242-E245 HydrophobicContact CB-CB 4.25Å; D242-E245 HydrophobicContact CB-CG 4.18Å; D242-E245 PolarHBondContact O-N 3.44Å; E245-A248 HydrophobicContact CB-CB 3.99Å
246	I	73	Confident	88.9	Confident	138 Å²	138	56.8 Å²	56.8	71%	0.708	32%	0.322	S	S	*	.	S	Bend	trans	-99.9	127.2	176.5	-58.7	173.1	0	0	0	108	A248	I246-A248 VanDerWaalsContact C-N 3.31Å; I246-A248 PolarHBondContact O-N 3.49Å
247	E	82.2	Confident	88.7	Confident	47 Å²	47	58.6 Å²	58.6	22%	0.22	34%	0.341	C	S	.	.	S	Bend	trans	52.7	46.2	176.7	-63.4	178	-178.2	0	0	112.8	Q91 I255 L256 H258 W286	Q91-E247 PolarHBondContact NE2-OE1 2.83Å; E247-I255 HydrophobicContact CB-CG2 4.03Å; E247-L256 CarbonylContact C-O 3.58Å; E247-L256 VanDerWaalsContact CA-O 3.24Å; E247-L256 WeakPolarHBondContact CA-O 3.26Å; E247-L256 PolarHBondContact N-O 3.08Å; E247-H258 IonicContact OE1-ND1 3.75Å; E247-W286 HydrophobicContact CB-CZ2 4.05Å; E247-W286 HydrophobicContact CG-CZ2 4.43Å; E247-W286 WeakPolarHBondContact OE2-CZ2 3.48Å
248	A	86.8	Confident	88.4	Confident	21 Å²	21	58.7 Å²	58.7	17%	0.174	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	151.8	-177.3	0	0	0	0	0	112.7	E245 I246 G250 I255 L256	E245-A248 HydrophobicContact CB-CB 3.99Å; I246-A248 VanDerWaalsContact C-N 3.31Å; I246-A248 PolarHBondContact O-N 3.49Å; A248-G250 PolarHBondContact O-N 3.12Å; A248-I255 CarbonylContact O-C 3.56Å; A248-I255 WeakPolarHBondContact O-CA 3.45Å; A248-L256 HydrophobicContact CB-CB 4.45Å; A248-L256 PolarHBondContact N-O 2.76Å; A248-L256 VanDerWaalsContact N-O 3.13Å; A248-L256 PolarHBondContact O-N 2.86Å
249	N	90.5	Very high	88.3	Confident	144 Å²	144	58 Å²	58	77%	0.77	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.9	121	176.3	-69.8	-48.1	0	0	0	110.9
250	G	91.5	Very high	88.3	Confident	20 Å²	20	57.6 Å²	57.6	21%	0.206	34%	0.335	C	S	.	.			trans	-98.5	-174.8	173.5	0	0	0	0	0	113.2	A248 L254	A248-G250 PolarHBondContact O-N 3.12Å; G250-L254 CarbonylContact C-O 3.52Å; G250-L254 WeakPolarHBondContact CA-O 3.36Å; G250-L254 PolarHBondContact N-O 2.89Å
251	P	92.4	Very high	88.5	Confident	64 Å²	64	54 Å²	54	42%	0.416	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-67.5	147.6	178.1	28.9	-34	0	0	0	111.3	G253 L254 Y334	P251-G253 PolarHBondContact O-N 3.41Å; P251-G253 VanDerWaalsContact O-N 3.12Å; P251-L254 WeakPolarHBondContact O-CB 3.21Å; P251-L254 PolarHBondContact O-N 2.93Å; P251-L254 VanDerWaalsContact O-N 3.12Å; P251-Y334 HydrophobicContact CB-CE1 4.36Å; P251-Y334 HydrophobicContact CG-CD1 3.95Å; P251-Y334 HydrophobicContact CG-CE1 3.96Å
252	L	94.2	Very high	88.8	Confident	68 Å²	68	52.3 Å²	52.3	36%	0.356	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	55.3	31.2	171	-59.9	169.2	0	0	0	114.2	L254 W292 S293 Y334	L252-L254 VanDerWaalsContact C-N 3.32Å; L252-W292 HydrophobicContact CB-CE3 3.72Å; L252-W292 HydrophobicContact CB-CH2 4.08Å; L252-W292 HydrophobicContact CB-CZ3 3.44Å; L252-W292 VanDerWaalsContact CB-CZ3 3.44Å; L252-W292 HydrophobicContact CD1-CE3 4.47Å; L252-W292 HydrophobicContact CD1-CH2 3.27Å; L252-W292 HydrophobicContact CD1-CZ2 4.07Å; L252-W292 HydrophobicContact CD1-CZ3 3.52Å; L252-W292 HydrophobicContact CG-CH2 4.3Å; L252-W292 HydrophobicContact CG-CZ3 4.11Å; L252-S293 VanDerWaalsContact CA-OG 3.32Å; L252-S293 WeakPolarHBondContact CA-OG 3.27Å; L252-S293 PolarHBondContact O-N 3.03Å; L252-S293 PolarHBondContact O-OG 2.88Å; L252-Y334 HydrophobicContact CD1-CE2 4.37Å
253	G	93.1	Very high	89.1	Confident	33 Å²	33	48.5 Å²	48.5	34%	0.34	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	85.8	-1.8	176.6	0	0	0	0	0	114.7	P251	P251-G253 PolarHBondContact O-N 3.41Å; P251-G253 VanDerWaalsContact O-N 3.12Å
254	L	94.6	Very high	89.7	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.01	25%	0.248	C	C	.	.			trans	-70.6	152.6	173.2	-60.5	176.8	0	0	0	111	I239 G250 P251 L252 W292 F324 Y334 F335	I239-L254 HydrophobicContact CD1-CB 3.69Å; I239-L254 HydrophobicContact CD1-CD1 3.83Å; I239-L254 HydrophobicContact CD1-CG 4.24Å; G250-L254 CarbonylContact C-O 3.52Å; G250-L254 WeakPolarHBondContact CA-O 3.36Å; G250-L254 PolarHBondContact N-O 2.89Å; P251-L254 WeakPolarHBondContact O-CB 3.21Å; P251-L254 PolarHBondContact O-N 2.93Å; P251-L254 VanDerWaalsContact O-N 3.12Å; L252-L254 VanDerWaalsContact C-N 3.32Å; L254-W292 HydrophobicContact CD1-CE3 3.9Å; L254-W292 HydrophobicContact CD1-CZ3 3.73Å; L254-W292 HydrophobicContact CD2-CE3 3.92Å; L254-W292 HydrophobicContact CG-CE3 3.76Å; L254-W292 HydrophobicContact CG-CZ3 4.07Å; L254-F324 HydrophobicContact CD2-CE2 4.26Å; L254-F324 HydrophobicContact CD2-CZ 3.95Å; L254-Y334 HydrophobicContact CD1-CD1 4.49Å; L254-Y334 HydrophobicContact CD1-CG 4.15Å; L254-F335 HydrophobicContact CD1-CE2 4.22Å; L254-F335 HydrophobicContact CD2-CE2 4.24Å; L254-F335 HydrophobicContact CD2-CZ 4.18Å
255	I	93.6	Very high	90.4	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.1	178.6	-52.4	-58.2	0	0	0	108.9	E247 A248 H258 Y260 W286	E247-I255 HydrophobicContact CB-CG2 4.03Å; A248-I255 CarbonylContact O-C 3.56Å; A248-I255 WeakPolarHBondContact O-CA 3.45Å; I255-H258 HydrophobicContact CB-CB 4.03Å; I255-H258 HydrophobicContact CG2-CB 3.71Å; I255-Y260 WeakPolarHBondContact CB-OH 2.94Å; I255-Y260 WeakPolarHBondContact CG1-OH 3.42Å; I255-Y260 PolarHBondContact N-OH 2.97Å; I255-W286 HydrophobicContact CD1-CH2 3.89Å; I255-W286 HydrophobicContact CD1-CZ3 3.87Å; I255-W286 HydrophobicContact CG1-CH2 3.98Å; I255-W286 HydrophobicContact CG1-CZ3 3.99Å; I255-W286 HydrophobicContact CG2-CH2 4.21Å; I255-W286 HydrophobicContact CG2-CZ2 4.32Å
256	L	92.7	Very high	91	Very high	34 Å²	34	33.8 Å²	33.8	18%	0.178	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	148.4	178.2	-48.2	179.7	0	0	0	110.3	I239 A241 E247 A248 H258	I239-L256 HydrophobicContact CB-CD2 4.1Å; I239-L256 HydrophobicContact CD1-CD2 4.46Å; I239-L256 HydrophobicContact CG2-CD2 3.43Å; I239-L256 VanDerWaalsContact CG2-CD2 3.43Å; A241-L256 HydrophobicContact CB-CB 3.77Å; E247-L256 CarbonylContact C-O 3.58Å; E247-L256 VanDerWaalsContact CA-O 3.24Å; E247-L256 WeakPolarHBondContact CA-O 3.26Å; E247-L256 PolarHBondContact N-O 3.08Å; A248-L256 HydrophobicContact CB-CB 4.45Å; A248-L256 PolarHBondContact N-O 2.76Å; A248-L256 VanDerWaalsContact N-O 3.13Å; A248-L256 PolarHBondContact O-N 2.86Å; L256-H258 PolarHBondContact O-N 2.87Å
257	G	90	Very high	92	Very high	37 Å²	37	31.5 Å²	31.5	38%	0.381	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	27.9	180	0	0	0	0	0	112.4	I239	I239-G257 WeakPolarHBondContact O-CA 3.39Å; I239-G257 PolarHBondContact O-N 2.87Å
258	H	90.5	Very high	92.5	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.5	-171.9	-170.3	55.8	0	0	0	111.7	C97 S238 E247 I255 L256 Y260 N284 W286	C97-H258 WeakPolarHBondContact CB-CE1 3.24Å; C97-H258 WeakPolarHBondContact CB-ND1 3.46Å; C97-H258 PolarHBondContact SG-ND1 3.15Å; C97-H258 VanDerWaalsContact SG-ND1 3.43Å; S238-H258 WeakPolarHBondContact CA-O 3.39Å; S238-H258 WeakPolarHBondContact CB-O 3.32Å; E247-H258 IonicContact OE1-ND1 3.75Å; I255-H258 HydrophobicContact CB-CB 4.03Å; I255-H258 HydrophobicContact CG2-CB 3.71Å; L256-H258 PolarHBondContact O-N 2.87Å; H258-Y260 HydrophobicContact CB-CE2 4.28Å; H258-Y260 AromaticContact CD2-CE2 3.74Å; H258-Y260 AromaticContact CD2-CZ 3.92Å; H258-N284 PolarHBondContact NE2-OD1 3.11Å; H258-W286 AromaticContact CE1-CD1 3.82Å; H258-W286 AromaticContact CE1-NE1 3.5Å; H258-W286 AromaticContact NE2-CD1 3.93Å; H258-W286 AromaticContact NE2-NE1 3.83Å
259	A	93	Very high	92.7	Very high	5 Å²	5	33.1 Å²	33.1	4%	0.041	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	140.8	177.4	0	0	0	0	0	110.9	A101 T196 P285	A101-A259 HydrophobicContact CB-CB 3.76Å; T196-A259 WeakPolarHBondContact OG1-CB 3.41Å; A259-P285 WeakPolarHBondContact O-CD 3.4Å; A259-P285 WeakPolarHBondContact O-CG 3.15Å
260	Y	95.3	Very high	92.7	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.9	174.2	-71.7	-100.8	0	0	0	109.5	A236 C237 I255 H258 R283 N284 F324 F335	A236-Y260 CarbonylContact C-O 3.6Å; A236-Y260 WeakPolarHBondContact CA-O 3.34Å; A236-Y260 WeakPolarHBondContact CB-O 3.47Å; C237-Y260 PolarHBondContact N-O 2.86Å; C237-Y260 PolarHBondContact O-N 3.01Å; I255-Y260 WeakPolarHBondContact CB-OH 2.94Å; I255-Y260 WeakPolarHBondContact CG1-OH 3.42Å; I255-Y260 PolarHBondContact N-OH 2.97Å; H258-Y260 HydrophobicContact CB-CE2 4.28Å; H258-Y260 AromaticContact CD2-CE2 3.74Å; H258-Y260 AromaticContact CD2-CZ 3.92Å; Y260-R283 WeakPolarHBondContact CA-O 3.48Å; Y260-N284 HydrophobicContact CD1-CB 4.14Å; Y260-N284 HydrophobicContact CE1-CB 3.69Å; Y260-F324 HydrophobicContact CD1-CE1 4.25Å; Y260-F324 HydrophobicContact CD1-CZ 4.11Å; Y260-F324 AromaticContact CE1-CE1 3.94Å; Y260-F324 HydrophobicContact CE1-CE1 3.94Å; Y260-F324 AromaticContact CE1-CZ 3.92Å; Y260-F324 HydrophobicContact CE1-CZ 3.92Å; Y260-F335 AromaticContact CD2-CE1 3.73Å; Y260-F335 HydrophobicContact CD2-CE1 3.73Å; Y260-F335 HydrophobicContact CD2-CZ 4.24Å; Y260-F335 HydrophobicContact CE2-CE1 4.3Å; Y260-F335 HydrophobicContact CG-CE1 4.01Å; Y260-F335 HydrophobicContact CG-CZ 4.31Å
261	S	94.5	Very high	92.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	139.6	171	-53.8	0	0	0	0	110	A101 A104 S105 L282 R283	A101-S261 VanDerWaalsContact CA-OG 3.27Å; A101-S261 WeakPolarHBondContact CA-OG 3.34Å; A101-S261 PolarHBondContact O-OG 3.23Å; A104-S261 WeakPolarHBondContact CB-OG 3.33Å; S105-S261 WeakPolarHBondContact OG-CB 3.31Å; S261-L282 CarbonylContact O-C 3.55Å; S261-L282 VanDerWaalsContact O-CA 3.24Å; S261-L282 WeakPolarHBondContact O-CA 3.39Å; S261-R283 PolarHBondContact N-O 3.23Å; S261-R283 PolarHBondContact O-N 3.41Å
262	V	94.4	Very high	91.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	115.4	166.5	-179.6	0	0	0	0	107.8	M225 M235 C237 I280 L282 L338	M225-V262 HydrophobicContact CE-CG1 4.03Å; M225-V262 HydrophobicContact CE-CG2 4.32Å; M235-V262 HydrophobicContact CB-CB 3.73Å; M235-V262 HydrophobicContact CB-CG1 4.37Å; M235-V262 HydrophobicContact CB-CG2 4.13Å; M235-V262 HydrophobicContact CE-CG1 4.12Å; M235-V262 PolarHBondContact O-N 3.21Å; M235-V262 VanDerWaalsContact O-N 3.09Å; C237-V262 HydrophobicContact CB-CG2 4.44Å; V262-I280 HydrophobicContact CG1-CD1 3.83Å; V262-I280 HydrophobicContact CG1-CG1 3.95Å; V262-I280 HydrophobicContact CG2-CD1 4.34Å; V262-L282 HydrophobicContact CB-CD2 4.14Å; V262-L282 HydrophobicContact CG1-CD2 4.35Å; V262-L282 HydrophobicContact CG2-CD2 3.64Å; V262-L338 HydrophobicContact CG2-CD1 4.17Å
263	T	91.4	Very high	90.9	Very high	6 Å²	6	34 Å²	34	4%	0.037	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-21.4	-172.4	66.1	0	0	0	0	114.1	M108 R281 R283 E323	M108-T263 HydrophobicContact CE-CG2 4.41Å; M108-T263 HydrophobicContact SD-CG2 4Å; T263-R281 PolarHBondContact N-O 3.03Å; T263-R281 WeakPolarHBondContact OG1-CG 3.2Å; T263-R281 PolarHBondContact OG1-NE 3.21Å; T263-R283 HydrophobicContact CG2-CB 3.93Å; T263-E323 WeakPolarHBondContact CB-OE1 3.36Å; T263-E323 PolarHBondContact OG1-OE1 3.26Å
264	D	92	Very high	89.9	Confident	12 Å²	12	38.3 Å²	38.3	6%	0.064	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	157.3	173.1	-152.8	-20.6	0	0	0	110.8	R266 R281 W325	D264-R266 WeakPolarHBondContact OD1-CG 3.23Å; D264-R266 IonicContact OD1-NE 2.73Å; D264-R266 PolarHBondContact OD1-NE 2.78Å; D264-R266 IonicContact OD2-CZ 2.62Å; D264-R266 IonicContact OD2-NE 3.49Å; D264-R266 PolarHBondContact OD2-NE 3.34Å; D264-R266 IonicContact OD2-NH2 2.88Å; D264-R266 PolarHBondContact OD2-NH2 3.45Å; D264-R281 HydrophobicContact CB-CB 3.95Å; D264-R281 PolarHBondContact N-O 3.34Å; D264-R281 PolarHBondContact O-N 3.48Å; D264-R281 IonicContact OD2-NH2 3.46Å; D264-W325 HydrophobicContact CB-CH2 3.89Å
265	I	93.4	Very high	89.4	Confident	5 Å²	5	44.2 Å²	44.2	3%	0.026	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	126.1	171	-167.8	174.4	0	0	0	109.2	F222 M225 E226 L229 I280 F328	F222-I265 HydrophobicContact CD2-CD1 3.52Å; F222-I265 HydrophobicContact CD2-CG1 3.97Å; F222-I265 HydrophobicContact CE2-CD1 3.58Å; F222-I265 HydrophobicContact CE2-CG1 3.45Å; F222-I265 VanDerWaalsContact CE2-CG1 3.45Å; F222-I265 HydrophobicContact CG-CD1 4.23Å; F222-I265 HydrophobicContact CZ-CD1 4.33Å; F222-I265 HydrophobicContact CZ-CG1 4.02Å; M225-I265 HydrophobicContact CB-CD1 3.67Å; M225-I265 HydrophobicContact CE-CD1 4.36Å; M225-I265 HydrophobicContact SD-CD1 4.16Å; E226-I265 HydrophobicContact CB-CG2 4.34Å; L229-I265 HydrophobicContact CD2-CG2 4.08Å; I265-I280 HydrophobicContact CG1-CB 4.45Å; I265-F328 HydrophobicContact CD1-CD2 4.05Å; I265-F328 HydrophobicContact CD1-CE2 4.02Å
266	R	92.5	Very high	89.3	Confident	68 Å²	68	46 Å²	46	26%	0.257	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	145.1	-173.4	-63.9	-163	-174.7	-170.6	15.8	113.6	D264 V268 L279 R313 W325	D264-R266 WeakPolarHBondContact OD1-CG 3.23Å; D264-R266 IonicContact OD1-NE 2.73Å; D264-R266 PolarHBondContact OD1-NE 2.78Å; D264-R266 IonicContact OD2-CZ 2.62Å; D264-R266 IonicContact OD2-NE 3.49Å; D264-R266 PolarHBondContact OD2-NE 3.34Å; D264-R266 IonicContact OD2-NH2 2.88Å; D264-R266 PolarHBondContact OD2-NH2 3.45Å; R266-V268 HydrophobicContact CB-CG2 4.18Å; R266-L279 PolarHBondContact N-O 2.91Å; R266-L279 PolarHBondContact O-N 2.94Å; R266-R313 PolarHBondContact NH1-O 3.45Å; R266-W325 HydrophobicContact CG-CH2 4.39Å
267	Q	93.4	Very high	89.3	Confident	90 Å²	90	46.3 Å²	46.3	42%	0.421	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	127.5	161.2	-168.7	166.6	-18.9	0	0	108.9	F222 S276 I277 R313	F222-Q267 HydrophobicContact CZ-CB 4.31Å; Q267-S276 PolarHBondContact NE2-OG 2.81Å; Q267-I277 CarbonylContact C-O 3.6Å; Q267-I277 WeakPolarHBondContact CA-O 3.42Å; Q267-R313 PolarHBondContact O-NH2 2.95Å
268	V	92.5	Very high	89.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	134.5	-172.6	-169.7	0	0	0	0	109.8	R266 S276 I277 L279 I306 E310 I314	R266-V268 HydrophobicContact CB-CG2 4.18Å; V268-S276 CarbonylContact O-C 3.54Å; V268-S276 WeakPolarHBondContact O-CA 3.33Å; V268-I277 HydrophobicContact CB-CG2 4.28Å; V268-I277 PolarHBondContact N-O 2.97Å; V268-I277 PolarHBondContact O-N 3.2Å; V268-L279 HydrophobicContact CB-CD1 4.46Å; V268-L279 HydrophobicContact CG2-CD1 3.96Å; V268-L279 HydrophobicContact CG2-CG 4.41Å; V268-I306 HydrophobicContact CG1-CD1 4Å; V268-I306 HydrophobicContact CG1-CG2 3.68Å; V268-E310 HydrophobicContact CG1-CB 4.06Å; V268-E310 HydrophobicContact CG1-CG 4.45Å; V268-I314 HydrophobicContact CG2-CG2 3.92Å
269	H	91.1	Very high	89.9	Confident	103 Å²	103	48.7 Å²	48.7	48%	0.477	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	137.2	177.8	-61.4	86.9	0	0	0	110.6	P307 E310	H269-P307 VanDerWaalsContact O-CD 3.25Å; H269-P307 WeakPolarHBondContact O-CD 3.5Å; H269-E310 HydrophobicContact CB-CG 4.32Å; H269-E310 PolarHBondContact N-OE2 2.93Å; H269-E310 IonicContact ND1-OE2 2.66Å
270	T	90.2	Very high	90.1	Very high	17 Å²	17	48.5 Å²	48.5	10%	0.104	26%	0.255	C	S	.	.			trans	-96	169.4	177.4	71.8	0	0	0	0	111.1	Y272 Q275 I277 N305 I306	T270-Y272 PolarHBondContact O-N 2.85Å; T270-Y272 PolarHBondContact OG1-N 2.9Å; T270-Q275 PolarHBondContact N-O 3.15Å; T270-Q275 PolarHBondContact OG1-O 3.05Å; T270-I277 HydrophobicContact CG2-CB 4.39Å; T270-I277 HydrophobicContact CG2-CG2 4.1Å; T270-N305 CarbonylContact C-O 3.48Å; T270-N305 WeakPolarHBondContact CA-O 3.44Å; T270-I306 HydrophobicContact CG2-CD1 4.02Å
271	N	86.9	Confident	90.1	Very high	87 Å²	87	49.7 Å²	49.7	47%	0.465	26%	0.26	S	S	.	.	S	Bend	trans	-65.6	-14.5	172.2	-66.1	-22.6	0	0	0	112.9	G273 R304 N305 P307	N271-G273 VanDerWaalsContact C-N 3.33Å; N271-G273 PolarHBondContact O-N 2.9Å; N271-G273 VanDerWaalsContact O-N 3.15Å; N271-R304 PolarHBondContact ND2-O 3.11Å; N271-N305 PolarHBondContact N-O 3.17Å; N271-N305 PolarHBondContact ND2-O 3.26Å; N271-P307 VanDerWaalsContact OD1-CD 3.31Å; N271-P307 WeakPolarHBondContact OD1-CD 3.44Å; N271-P307 VanDerWaalsContact OD1-CG 3.31Å; N271-P307 WeakPolarHBondContact OD1-CG 3.39Å
272	Y	81.4	Confident	90.1	Very high	147 Å²	147	49.7 Å²	49.7	58%	0.576	26%	0.26	S	S	*	.	S	Bend	trans	-90.7	60.3	-174.4	-56.3	-72.1	0	0	0	112.1	T270 Q275 N305	T270-Y272 PolarHBondContact O-N 2.85Å; T270-Y272 PolarHBondContact OG1-N 2.9Å; Y272-Q275 PolarHBondContact O-N 2.73Å; Y272-N305 HydrophobicContact CE2-CB 4.02Å; Y272-N305 PolarHBondContact OH-OD1 3.15Å
273	G	72	Confident	90	Very high	63 Å²	63	49.7 Å²	49.7	65%	0.649	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	67	-131.1	175.1	0	0	0	0	0	113.4	N271 Q275	N271-G273 VanDerWaalsContact C-N 3.33Å; N271-G273 PolarHBondContact O-N 2.9Å; N271-G273 VanDerWaalsContact O-N 3.15Å; G273-Q275 PolarHBondContact O-N 3.1Å
274	S	73.6	Confident	90.1	Very high	124 Å²	124	49.4 Å²	49.4	87%	0.867	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	9.5	-177	59.5	0	0	0	0	114.2	S276	S274-S276 PolarHBondContact O-N 3.17Å
275	Q	83.7	Confident	89.7	Confident	125 Å²	125	48.9 Å²	48.9	58%	0.584	26%	0.255	S	S	*	.			trans	-80	121.5	179.9	-169.6	174.8	-0.5	0	0	110.4	T270 Y272 G273	T270-Q275 PolarHBondContact N-O 3.15Å; T270-Q275 PolarHBondContact OG1-O 3.05Å; Y272-Q275 PolarHBondContact O-N 2.73Å; G273-Q275 PolarHBondContact O-N 3.1Å
276	S	90.7	Very high	89.2	Confident	42 Å²	42	51.1 Å²	51.1	29%	0.294	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	146.8	171.2	60.6	0	0	0	0	111.1	Q267 V268 S274	Q267-S276 PolarHBondContact NE2-OG 2.81Å; V268-S276 CarbonylContact O-C 3.54Å; V268-S276 WeakPolarHBondContact O-CA 3.33Å; S274-S276 PolarHBondContact O-N 3.17Å
277	I	93.7	Very high	88.6	Confident	40 Å²	40	48 Å²	48	21%	0.205	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	147.1	171.8	-170.7	166.3	0	0	0	110.4	Q267 V268 T270 L279 W296 I306	Q267-I277 CarbonylContact C-O 3.6Å; Q267-I277 WeakPolarHBondContact CA-O 3.42Å; V268-I277 HydrophobicContact CB-CG2 4.28Å; V268-I277 PolarHBondContact N-O 2.97Å; V268-I277 PolarHBondContact O-N 3.2Å; T270-I277 HydrophobicContact CG2-CB 4.39Å; T270-I277 HydrophobicContact CG2-CG2 4.1Å; I277-L279 HydrophobicContact CD1-CD2 4.02Å; I277-L279 HydrophobicContact CG1-CD2 4.06Å; I277-L279 HydrophobicContact CG2-CD1 4.36Å; I277-L279 HydrophobicContact CG2-CD2 4.25Å; I277-L279 HydrophobicContact CG2-CG 4.08Å; I277-W296 HydrophobicContact CD1-CZ2 3.48Å; I277-W296 VanDerWaalsContact CD1-CZ2 3.48Å; I277-I306 HydrophobicContact CG2-CD1 4.24Å
278	R	95.6	Very high	88.1	Confident	89 Å²	89	46 Å²	46	34%	0.336	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	119.4	173.7	-66.5	178.9	-58.3	-178.8	5.8	108.6	F222 F328 D329	F222-R278 HydrophobicContact CD1-CG 4.46Å; F222-R278 HydrophobicContact CD2-CB 3.82Å; F222-R278 HydrophobicContact CD2-CG 3.93Å; F222-R278 HydrophobicContact CE1-CG 4.26Å; F222-R278 HydrophobicContact CE2-CB 3.48Å; F222-R278 VanDerWaalsContact CE2-CB 3.48Å; F222-R278 HydrophobicContact CE2-CG 3.7Å; F222-R278 HydrophobicContact CG-CG 4.31Å; F222-R278 HydrophobicContact CZ-CB 4.08Å; F222-R278 HydrophobicContact CZ-CG 3.88Å; R278-F328 HydrophobicContact CB-CB 3.71Å; R278-F328 HydrophobicContact CB-CG 4.48Å; R278-F328 PolarHBondContact O-N 2.85Å; R278-D329 IonicContact CZ-OD1 2.86Å; R278-D329 IonicContact NH2-OD1 3.23Å; R278-D329 PolarHBondContact NH2-OD1 3.39Å
279	L	96.4	Very high	87.4	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	148.9	178.9	-59.1	179.7	0	0	0	110.1	R266 V268 I277 W296 W303 W325 M326	R266-L279 PolarHBondContact N-O 2.91Å; R266-L279 PolarHBondContact O-N 2.94Å; V268-L279 HydrophobicContact CB-CD1 4.46Å; V268-L279 HydrophobicContact CG2-CD1 3.96Å; V268-L279 HydrophobicContact CG2-CG 4.41Å; I277-L279 HydrophobicContact CD1-CD2 4.02Å; I277-L279 HydrophobicContact CG1-CD2 4.06Å; I277-L279 HydrophobicContact CG2-CD1 4.36Å; I277-L279 HydrophobicContact CG2-CD2 4.25Å; I277-L279 HydrophobicContact CG2-CG 4.08Å; L279-W296 HydrophobicContact CD2-CB 4.47Å; L279-W296 HydrophobicContact CD2-CD2 3.99Å; L279-W296 HydrophobicContact CD2-CG 3.86Å; L279-W303 HydrophobicContact CD1-CH2 4.03Å; L279-W303 HydrophobicContact CD1-CZ3 4.11Å; L279-W325 HydrophobicContact CB-CE3 3.69Å; L279-W325 HydrophobicContact CB-CZ3 4.01Å; L279-M326 WeakPolarHBondContact CA-O 3.45Å
280	I	96.8	Very high	87.1	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	141	173.6	-173.6	172.8	0	0	0	108.6	M225 V262 I265 L282 W325 M326 F331	M225-I280 HydrophobicContact CE-CD1 3.53Å; V262-I280 HydrophobicContact CG1-CD1 3.83Å; V262-I280 HydrophobicContact CG1-CG1 3.95Å; V262-I280 HydrophobicContact CG2-CD1 4.34Å; I265-I280 HydrophobicContact CG1-CB 4.45Å; I280-L282 HydrophobicContact CD1-CD2 3.91Å; I280-L282 HydrophobicContact CG1-CD2 4.01Å; I280-W325 WeakPolarHBondContact O-CA 3.29Å; I280-M326 HydrophobicContact CG2-CG 3.66Å; I280-M326 PolarHBondContact N-O 2.9Å; I280-M326 PolarHBondContact O-N 3.32Å; I280-F331 HydrophobicContact CD1-CD1 3.93Å; I280-F331 HydrophobicContact CD1-CD2 4.1Å; I280-F331 HydrophobicContact CD1-CE1 4Å; I280-F331 HydrophobicContact CD1-CE2 4.16Å; I280-F331 HydrophobicContact CD1-CG 3.98Å; I280-F331 HydrophobicContact CD1-CZ 4.11Å; I280-F331 HydrophobicContact CG2-CB 3.66Å; I280-F331 HydrophobicContact CG2-CG 4.03Å
281	R	95.3	Very high	87.1	Confident	26 Å²	26	49.4 Å²	49.4	10%	0.098	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.6	175.4	-165.8	170.7	61	176.8	-14.3	109.6	T263 D264 E323 F324 W325	T263-R281 PolarHBondContact N-O 3.03Å; T263-R281 WeakPolarHBondContact OG1-CG 3.2Å; T263-R281 PolarHBondContact OG1-NE 3.21Å; D264-R281 HydrophobicContact CB-CB 3.95Å; D264-R281 PolarHBondContact N-O 3.34Å; D264-R281 PolarHBondContact O-N 3.48Å; D264-R281 IonicContact OD2-NH2 3.46Å; R281-E323 VanDerWaalsContact CD-OE2 3.25Å; R281-E323 WeakPolarHBondContact CD-OE2 3.39Å; R281-E323 HydrophobicContact CG-CG 3.54Å; R281-E323 IonicContact CZ-OE1 3.64Å; R281-E323 IonicContact CZ-OE2 2.68Å; R281-E323 IonicContact NE-OE1 3.27Å; R281-E323 PolarHBondContact NE-OE1 3.38Å; R281-E323 IonicContact NE-OE2 3.66Å; R281-E323 PolarHBondContact NE-OE2 3.38Å; R281-E323 IonicContact NH1-OE2 3.38Å; R281-E323 PolarHBondContact NH1-OE2 2.92Å; R281-F324 WeakPolarHBondContact CA-O 3.48Å; R281-W325 HydrophobicContact CB-CD2 3.76Å; R281-W325 HydrophobicContact CB-CE3 3.72Å; R281-W325 HydrophobicContact CB-CG 4.42Å; R281-W325 HydrophobicContact CB-CH2 3.92Å; R281-W325 HydrophobicContact CB-CZ2 3.94Å; R281-W325 HydrophobicContact CB-CZ3 3.81Å; R281-W325 VanDerWaalsContact CD-CE2 3.49Å; R281-W325 HydrophobicContact CG-CD2 4.04Å; R281-W325 HydrophobicContact CG-CG 4.32Å; R281-W325 HydrophobicContact CG-CZ2 4.25Å
282	L	95.3	Very high	87.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	156.3	-179.7	-57.7	-179.3	0	0	0	109.4	S261 V262 I280 E323 F324 M326 F331 F335	S261-L282 CarbonylContact O-C 3.55Å; S261-L282 VanDerWaalsContact O-CA 3.24Å; S261-L282 WeakPolarHBondContact O-CA 3.39Å; V262-L282 HydrophobicContact CB-CD2 4.14Å; V262-L282 HydrophobicContact CG1-CD2 4.35Å; V262-L282 HydrophobicContact CG2-CD2 3.64Å; I280-L282 HydrophobicContact CD1-CD2 3.91Å; I280-L282 HydrophobicContact CG1-CD2 4.01Å; L282-E323 CarbonylContact O-C 3.46Å; L282-E323 VanDerWaalsContact O-CA 3.31Å; L282-E323 WeakPolarHBondContact O-CA 3.33Å; L282-E323 WeakPolarHBondContact O-CG 3.36Å; L282-F324 HydrophobicContact CB-CD2 4.4Å; L282-F324 HydrophobicContact CB-CE2 3.82Å; L282-F324 HydrophobicContact CB-CZ 3.89Å; L282-F324 HydrophobicContact CD1-CE2 4.02Å; L282-F324 HydrophobicContact CD1-CZ 4.34Å; L282-F324 HydrophobicContact CG-CE2 4.35Å; L282-F324 PolarHBondContact N-O 3.5Å; L282-F324 PolarHBondContact O-N 3.37Å; L282-M326 HydrophobicContact CD1-SD 3.73Å; L282-F331 HydrophobicContact CD1-CD2 4.06Å; L282-F331 HydrophobicContact CD1-CE2 4.48Å; L282-F335 HydrophobicContact CD1-CD2 4.31Å; L282-F335 HydrophobicContact CD1-CE1 4.06Å; L282-F335 HydrophobicContact CD1-CE2 3.46Å; L282-F335 VanDerWaalsContact CD1-CE2 3.46Å; L282-F335 HydrophobicContact CD1-CZ 3.32Å
283	R	93.4	Very high	88.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	128	173.3	-177.3	178.9	177.7	-97.2	-4.3	111.4	R86 I89 Y260 S261 T263 P285 G322 E323	R86-R283 PolarHBondContact O-NH1 3.02Å; R86-R283 PolarHBondContact O-NH2 3.49Å; I89-R283 PolarHBondContact O-NH1 3.01Å; I89-R283 PolarHBondContact O-NH2 3.32Å; Y260-R283 WeakPolarHBondContact CA-O 3.48Å; S261-R283 PolarHBondContact N-O 3.23Å; S261-R283 PolarHBondContact O-N 3.41Å; T263-R283 HydrophobicContact CG2-CB 3.93Å; R283-P285 WeakPolarHBondContact O-CD 3.29Å; R283-G322 CarbonylContact C-O 3.49Å; R283-G322 WeakPolarHBondContact CA-O 3.47Å; R283-E323 HydrophobicContact CB-CB 4.43Å; R283-E323 HydrophobicContact CG-CB 4.44Å
284	N	91.5	Very high	89.2	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.214	C	C	.	.			trans	-75.1	121.4	167.3	-172.2	-15.7	0	0	0	110.2	H258 Y260 W286 G287 S290 G322	H258-N284 PolarHBondContact NE2-OD1 3.11Å; Y260-N284 HydrophobicContact CD1-CB 4.14Å; Y260-N284 HydrophobicContact CE1-CB 3.69Å; N284-W286 PolarHBondContact O-N 3.44Å; N284-W286 PolarHBondContact OD1-N 2.63Å; N284-W286 VanDerWaalsContact OD1-N 3.1Å; N284-G287 PolarHBondContact O-N 2.97Å; N284-G287 VanDerWaalsContact O-N 3.1Å; N284-S290 PolarHBondContact ND2-O 3.11Å; N284-G322 PolarHBondContact N-O 3.3Å
285	P	84	Confident	90.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-25.2	173.7	-36.4	41.1	0	0	0	117.2	Q91 C97 I100 A101 A259 R283 G287	Q91-P285 PolarHBondContact N-O 3.12Å; C97-P285 HydrophobicContact CB-CG 4.5Å; I100-P285 HydrophobicContact CB-CB 4.06Å; I100-P285 HydrophobicContact CG2-CB 3.52Å; I100-P285 HydrophobicContact CG2-CG 4.28Å; A101-P285 HydrophobicContact CB-CG 4.07Å; A259-P285 WeakPolarHBondContact O-CD 3.4Å; A259-P285 WeakPolarHBondContact O-CG 3.15Å; R283-P285 WeakPolarHBondContact O-CD 3.29Å; P285-G287 PolarHBondContact O-N 3.17Å
286	W	83	Confident	90.8	Very high	53 Å²	53	31.1 Å²	31.1	20%	0.201	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-26.8	178.9	-66.2	-6.2	0	0	0	112.7	E247 I255 H258 N284 N288	E247-W286 HydrophobicContact CB-CZ2 4.05Å; E247-W286 HydrophobicContact CG-CZ2 4.43Å; E247-W286 WeakPolarHBondContact OE2-CZ2 3.48Å; I255-W286 HydrophobicContact CD1-CH2 3.89Å; I255-W286 HydrophobicContact CD1-CZ3 3.87Å; I255-W286 HydrophobicContact CG1-CH2 3.98Å; I255-W286 HydrophobicContact CG1-CZ3 3.99Å; I255-W286 HydrophobicContact CG2-CH2 4.21Å; I255-W286 HydrophobicContact CG2-CZ2 4.32Å; H258-W286 AromaticContact CE1-CD1 3.82Å; H258-W286 AromaticContact CE1-NE1 3.5Å; H258-W286 AromaticContact NE2-CD1 3.93Å; H258-W286 AromaticContact NE2-NE1 3.83Å; N284-W286 PolarHBondContact O-N 3.44Å; N284-W286 PolarHBondContact OD1-N 2.63Å; N284-W286 VanDerWaalsContact OD1-N 3.1Å; W286-N288 VanDerWaalsContact C-N 3.33Å; W286-N288 PolarHBondContact O-N 2.78Å
287	G	80.9	Confident	90.9	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.01	15%	0.153	C	C	.	.			trans	61.6	40.8	177.9	0	0	0	0	0	113.3	K90 N284 P285 D321	K90-G287 VanDerWaalsContact CE-O 3.23Å; K90-G287 WeakPolarHBondContact CE-O 3.38Å; K90-G287 PolarHBondContact NZ-O 2.65Å; N284-G287 PolarHBondContact O-N 2.97Å; N284-G287 VanDerWaalsContact O-N 3.1Å; P285-G287 PolarHBondContact O-N 3.17Å; G287-D321 WeakPolarHBondContact CA-O 3.2Å
288	N	82.1	Confident	90.7	Very high	50 Å²	50	28.9 Å²	28.9	27%	0.267	15%	0.149	S	C	.	.	S	Bend	trans	-140.3	-176.4	-177.7	71	6.4	0	0	0	110.2	W286 S290 G322	W286-N288 VanDerWaalsContact C-N 3.33Å; W286-N288 PolarHBondContact O-N 2.78Å; N288-S290 PolarHBondContact O-N 2.82Å; N288-S290 VanDerWaalsContact OD1-CB 3.25Å; N288-S290 WeakPolarHBondContact OD1-CB 3.3Å; N288-S290 PolarHBondContact OD1-N 2.96Å; N288-S290 VanDerWaalsContact OD1-N 3.14Å; N288-S290 PolarHBondContact OD1-OG 2.82Å; N288-G322 WeakPolarHBondContact O-CA 3.45Å; N288-G322 PolarHBondContact O-N 3.24Å
289	E	78.1	Confident	90.4	Very high	134 Å²	134	33.2 Å²	33.2	63%	0.626	17%	0.173	S	C	*	.	S	Bend	trans	-64.8	3.5	-175.3	67.7	-88.4	-161.9	0	0	116.1	E291 E320	E289-E291 PolarHBondContact O-N 3.06Å; E289-E320 HydrophobicContact CB-CB 4.46Å; E289-E320 HydrophobicContact CB-CG 4.42Å
290	S	85.4	Confident	90.2	Very high	33 Å²	33	33.9 Å²	33.9	23%	0.231	18%	0.178	C	C	.	.			trans	-79.1	71	178.1	-57.6	0	0	0	0	111.3	N284 N288	N284-S290 PolarHBondContact ND2-O 3.11Å; N288-S290 PolarHBondContact O-N 2.82Å; N288-S290 VanDerWaalsContact OD1-CB 3.25Å; N288-S290 WeakPolarHBondContact OD1-CB 3.3Å; N288-S290 PolarHBondContact OD1-N 2.96Å; N288-S290 VanDerWaalsContact OD1-N 3.14Å; N288-S290 PolarHBondContact OD1-OG 2.82Å
291	E	90.5	Very high	90	Very high	24 Å²	24	42.8 Å²	42.8	11%	0.112	21%	0.212	C	C	.	.			trans	-116.3	167.3	-173	-66.1	172.2	-166.1	0	0	112.8	E289 S293 D321 G322 F324	E289-E291 PolarHBondContact O-N 3.06Å; E291-S293 PolarHBondContact O-N 2.9Å; E291-D321 PolarHBondContact OE1-N 3Å; E291-G322 WeakPolarHBondContact OE1-CA 3.14Å; E291-G322 PolarHBondContact OE1-N 2.89Å; E291-F324 HydrophobicContact CB-CB 4.36Å; E291-F324 HydrophobicContact CB-CD1 3.89Å; E291-F324 HydrophobicContact CB-CG 4.44Å; E291-F324 HydrophobicContact CG-CD1 4.05Å
292	W	94.2	Very high	89.9	Confident	6 Å²	6	44.8 Å²	44.8	2%	0.023	22%	0.222	C	C	.	.			trans	-58.5	130.9	173	172.4	-113.4	0	0	0	111.5	L252 L254 G294 P295 S297 F324 M326 D330 Y334	L252-W292 HydrophobicContact CB-CE3 3.72Å; L252-W292 HydrophobicContact CB-CH2 4.08Å; L252-W292 HydrophobicContact CB-CZ3 3.44Å; L252-W292 VanDerWaalsContact CB-CZ3 3.44Å; L252-W292 HydrophobicContact CD1-CE3 4.47Å; L252-W292 HydrophobicContact CD1-CH2 3.27Å; L252-W292 HydrophobicContact CD1-CZ2 4.07Å; L252-W292 HydrophobicContact CD1-CZ3 3.52Å; L252-W292 HydrophobicContact CG-CH2 4.3Å; L252-W292 HydrophobicContact CG-CZ3 4.11Å; L254-W292 HydrophobicContact CD1-CE3 3.9Å; L254-W292 HydrophobicContact CD1-CZ3 3.73Å; L254-W292 HydrophobicContact CD2-CE3 3.92Å; L254-W292 HydrophobicContact CG-CE3 3.76Å; L254-W292 HydrophobicContact CG-CZ3 4.07Å; W292-G294 VanDerWaalsContact NE1-C 3.3Å; W292-P295 PolarHBondContact NE1-O 3.43Å; W292-S297 WeakPolarHBondContact O-CB 3Å; W292-F324 HydrophobicContact CB-CB 4.18Å; W292-F324 HydrophobicContact CB-CD1 4.24Å; W292-F324 HydrophobicContact CB-CD2 3.22Å; W292-F324 HydrophobicContact CB-CE1 4.47Å; W292-F324 HydrophobicContact CB-CE2 3.5Å; W292-F324 VanDerWaalsContact CB-CE2 3.5Å; W292-F324 HydrophobicContact CB-CG 3.62Å; W292-F324 HydrophobicContact CB-CZ 4.13Å; W292-F324 HydrophobicContact CG-CD2 4.08Å; W292-F324 HydrophobicContact CG-CE2 4.35Å; W292-M326 HydrophobicContact CD2-CE 4.25Å; W292-M326 HydrophobicContact CE3-CE 4.21Å; W292-M326 HydrophobicContact CG-CB 4.45Å; W292-M326 HydrophobicContact CH2-CE 3.97Å; W292-M326 HydrophobicContact CZ2-CE 4.02Å; W292-M326 HydrophobicContact CZ3-CE 4.07Å; W292-D330 HydrophobicContact CZ2-CB 4.35Å; W292-Y334 AromaticContact CH2-CD2 3.73Å; W292-Y334 HydrophobicContact CH2-CD2 3.73Å; W292-Y334 AromaticContact CH2-CE2 3.51Å; W292-Y334 HydrophobicContact CH2-CE2 3.51Å; W292-Y334 HydrophobicContact CZ3-CD2 4.07Å; W292-Y334 HydrophobicContact CZ3-CE2 4.15Å; W292-Y334 HydrophobicContact CZ3-CG 4.49Å
293	S	94.4	Very high	89.8	Confident	76 Å²	76	45 Å²	45	53%	0.531	22%	0.223	S	C	.	.			trans	-111.7	6.8	179.9	58	0	0	0	0	113.8	L252 E291	L252-S293 VanDerWaalsContact CA-OG 3.32Å; L252-S293 WeakPolarHBondContact CA-OG 3.27Å; L252-S293 PolarHBondContact O-N 3.03Å; L252-S293 PolarHBondContact O-OG 2.88Å; E291-S293 PolarHBondContact O-N 2.9Å
294	G	95.2	Very high	89.7	Confident	10 Å²	10	53.3 Å²	53.3	10%	0.103	26%	0.255	C	S	.	.	S	Bend	trans	-86.1	-161.2	177.1	0	0	0	0	0	113.8	W292 W296 S297	W292-G294 VanDerWaalsContact NE1-C 3.3Å; G294-W296 PolarHBondContact O-N 3.18Å; G294-S297 WeakPolarHBondContact O-CB 2.97Å; G294-S297 PolarHBondContact O-N 3.36Å; G294-S297 PolarHBondContact O-OG 3.11Å
295	P	95.1	Very high	89.7	Confident	49 Å²	49	55.6 Å²	55.6	32%	0.318	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	137.6	175.7	-26.2	35.3	0	0	0	112.4	W292 S297	W292-P295 PolarHBondContact NE1-O 3.43Å; P295-S297 PolarHBondContact O-N 3.34Å
296	W	94.7	Very high	90.1	Very high	20 Å²	20	55.6 Å²	55.6	8%	0.076	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	69.9	4.9	-176.8	-48.2	101.7	0	0	0	116.6	I277 L279 G294 S300 E302 W303 I306 W325	I277-W296 HydrophobicContact CD1-CZ2 3.48Å; I277-W296 VanDerWaalsContact CD1-CZ2 3.48Å; L279-W296 HydrophobicContact CD2-CB 4.47Å; L279-W296 HydrophobicContact CD2-CD2 3.99Å; L279-W296 HydrophobicContact CD2-CG 3.86Å; G294-W296 PolarHBondContact O-N 3.18Å; W296-S300 PolarHBondContact N-OG 2.87Å; W296-E302 HydrophobicContact CD2-CB 4Å; W296-E302 HydrophobicContact CE3-CB 3.91Å; W296-E302 HydrophobicContact CH2-CB 3.9Å; W296-E302 WeakPolarHBondContact CH2-O 3.29Å; W296-E302 HydrophobicContact CZ2-CB 3.97Å; W296-E302 HydrophobicContact CZ3-CB 3.85Å; W296-E302 VanDerWaalsContact CZ3-O 3.22Å; W296-E302 WeakPolarHBondContact CZ3-O 3.22Å; W296-W303 HydrophobicContact CB-CZ2 4.34Å; W296-W303 AromaticContact CE3-CD2 3.91Å; W296-W303 HydrophobicContact CE3-CD2 3.91Å; W296-W303 AromaticContact CE3-CE3 3.87Å; W296-W303 HydrophobicContact CE3-CE3 3.87Å; W296-W303 HydrophobicContact CE3-CG 4.48Å; W296-W303 HydrophobicContact CE3-CH2 4.37Å; W296-W303 HydrophobicContact CE3-CZ2 4.41Å; W296-W303 HydrophobicContact CE3-CZ3 4.09Å; W296-W303 HydrophobicContact CZ3-CD2 4.3Å; W296-W303 AromaticContact CZ3-CE3 4Å; W296-W303 HydrophobicContact CZ3-CE3 4Å; W296-W303 HydrophobicContact CZ3-CZ3 4.4Å; W296-W303 VanDerWaalsContact O-CZ2 3.31Å; W296-W303 WeakPolarHBondContact O-CZ2 3.3Å; W296-W303 PolarHBondContact O-NE1 2.71Å; W296-W303 VanDerWaalsContact O-NE1 3.14Å; W296-I306 HydrophobicContact CH2-CD1 3.86Å; W296-I306 HydrophobicContact CH2-CG1 3.9Å; W296-I306 HydrophobicContact CZ3-CD1 4.01Å; W296-I306 HydrophobicContact CZ3-CG1 3.56Å; W296-W325 CarbonylContact C-O 3.6Å; W296-W325 VanDerWaalsContact O-O 3.11Å
297	S	93.7	Very high	90.4	Very high	10 Å²	10	54.7 Å²	54.7	7%	0.07	27%	0.268	C	S	.	.	S	Bend	trans	-53.7	166.1	163.9	57.2	0	0	0	0	112.6	W292 G294 P295 Q299 S300 W303	W292-S297 WeakPolarHBondContact O-CB 3Å; G294-S297 WeakPolarHBondContact O-CB 2.97Å; G294-S297 PolarHBondContact O-N 3.36Å; G294-S297 PolarHBondContact O-OG 3.11Å; P295-S297 PolarHBondContact O-N 3.34Å; S297-Q299 PolarHBondContact O-N 2.98Å; S297-Q299 VanDerWaalsContact O-N 3.15Å; S297-S300 WeakPolarHBondContact O-CB 3.25Å; S297-S300 PolarHBondContact O-N 3.44Å; S297-W303 PolarHBondContact O-NE1 3.41Å
298	D	89.1	Confident	90.9	Very high	25 Å²	25	59.2 Å²	59.2	13%	0.134	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-33	-176.1	-79.2	24.4	0	0	0	113.4	F318 D319	D298-F318 HydrophobicContact CB-CB 4.49Å; D298-F318 HydrophobicContact CB-CD1 3.83Å; D298-F318 VanDerWaalsContact O-CD1 3.23Å; D298-F318 WeakPolarHBondContact O-CD1 3.13Å; D298-F318 VanDerWaalsContact O-CE1 3.29Å; D298-F318 WeakPolarHBondContact O-CE1 2.92Å; D298-F318 VanDerWaalsContact OD2-CA 3.31Å; D298-F318 WeakPolarHBondContact OD2-CA 3.32Å; D298-D319 PolarHBondContact OD2-N 2.84Å
299	Q	88.5	Confident	91.3	Very high	180 Å²	180	63.2 Å²	63.2	84%	0.841	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	6.3	177.2	-56.5	-170.1	7.3	0	0	113.7	S297	S297-Q299 PolarHBondContact O-N 2.98Å; S297-Q299 VanDerWaalsContact O-N 3.15Å
300	S	93.1	Very high	91.9	Very high	15 Å²	15	58.2 Å²	58.2	11%	0.105	30%	0.295	C	S	.	.			trans	-65.6	136.7	-176.2	172.1	0	0	0	0	112.3	W296 S297 E302	W296-S300 PolarHBondContact N-OG 2.87Å; S297-S300 WeakPolarHBondContact O-CB 3.25Å; S297-S300 PolarHBondContact O-N 3.44Å; S300-E302 PolarHBondContact O-N 2.78Å; S300-E302 WeakPolarHBondContact OG-CB 3.33Å; S300-E302 PolarHBondContact OG-N 3.48Å; S300-E302 PolarHBondContact OG-OE2 3.41Å
301	R	93.6	Very high	92.1	Very high	187 Å²	187	60 Å²	60	71%	0.706	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-74.4	-19.5	177	-65.9	-178.8	177.9	-173.7	0.9	111.8	W303 R304	R301-W303 PolarHBondContact O-N 2.82Å; R301-R304 WeakPolarHBondContact O-CB 3.5Å; R301-R304 VanDerWaalsContact O-CG 3.23Å; R301-R304 WeakPolarHBondContact O-CG 3.37Å; R301-R304 PolarHBondContact O-N 2.95Å
302	E	92.9	Very high	92.1	Very high	68 Å²	68	67.2 Å²	67.2	32%	0.318	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-62.6	-27.6	-177.3	-67.9	83.9	144.6	0	0	111.7	W296 S300 R304 N305	W296-E302 HydrophobicContact CD2-CB 4Å; W296-E302 HydrophobicContact CE3-CB 3.91Å; W296-E302 HydrophobicContact CH2-CB 3.9Å; W296-E302 WeakPolarHBondContact CH2-O 3.29Å; W296-E302 HydrophobicContact CZ2-CB 3.97Å; W296-E302 HydrophobicContact CZ3-CB 3.85Å; W296-E302 VanDerWaalsContact CZ3-O 3.22Å; W296-E302 WeakPolarHBondContact CZ3-O 3.22Å; S300-E302 PolarHBondContact O-N 2.78Å; S300-E302 WeakPolarHBondContact OG-CB 3.33Å; S300-E302 PolarHBondContact OG-N 3.48Å; S300-E302 PolarHBondContact OG-OE2 3.41Å; E302-R304 PolarHBondContact O-N 3.1Å; E302-N305 VanDerWaalsContact O-CB 3.23Å; E302-N305 WeakPolarHBondContact O-CB 3.37Å; E302-N305 PolarHBondContact O-N 2.72Å; E302-N305 PolarHBondContact O-ND2 2.96Å
303	W	93	Very high	91.9	Very high	5 Å²	5	72.3 Å²	72.3	2%	0.019	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-52.7	-30.6	170.8	-72.5	118.6	0	0	0	113.2	L279 W296 S297 R301 N305 I306 R311 I314 L316 F318 W325	L279-W303 HydrophobicContact CD1-CH2 4.03Å; L279-W303 HydrophobicContact CD1-CZ3 4.11Å; W296-W303 HydrophobicContact CB-CZ2 4.34Å; W296-W303 AromaticContact CE3-CD2 3.91Å; W296-W303 HydrophobicContact CE3-CD2 3.91Å; W296-W303 AromaticContact CE3-CE3 3.87Å; W296-W303 HydrophobicContact CE3-CE3 3.87Å; W296-W303 HydrophobicContact CE3-CG 4.48Å; W296-W303 HydrophobicContact CE3-CH2 4.37Å; W296-W303 HydrophobicContact CE3-CZ2 4.41Å; W296-W303 HydrophobicContact CE3-CZ3 4.09Å; W296-W303 HydrophobicContact CZ3-CD2 4.3Å; W296-W303 AromaticContact CZ3-CE3 4Å; W296-W303 HydrophobicContact CZ3-CE3 4Å; W296-W303 HydrophobicContact CZ3-CZ3 4.4Å; W296-W303 VanDerWaalsContact O-CZ2 3.31Å; W296-W303 WeakPolarHBondContact O-CZ2 3.3Å; W296-W303 PolarHBondContact O-NE1 2.71Å; W296-W303 VanDerWaalsContact O-NE1 3.14Å; S297-W303 PolarHBondContact O-NE1 3.41Å; R301-W303 PolarHBondContact O-N 2.82Å; W303-N305 PolarHBondContact O-N 2.79Å; W303-N305 VanDerWaalsContact O-N 3.09Å; W303-I306 HydrophobicContact CE3-CG1 4.14Å; W303-I306 HydrophobicContact CZ3-CG1 4.44Å; W303-I306 PolarHBondContact O-N 2.97Å; W303-R311 PolarHBondContact O-NE 3.36Å; W303-R311 PolarHBondContact O-NH2 2.91Å; W303-I314 HydrophobicContact CH2-CD1 4.06Å; W303-I314 HydrophobicContact CZ3-CD1 3.77Å; W303-L316 HydrophobicContact CD2-CD1 4.4Å; W303-L316 HydrophobicContact CD2-CD2 3.72Å; W303-L316 HydrophobicContact CE3-CD1 4.33Å; W303-L316 HydrophobicContact CE3-CD2 3.52Å; W303-L316 HydrophobicContact CG-CD2 4.35Å; W303-L316 HydrophobicContact CH2-CD1 3.4Å; W303-L316 HydrophobicContact CH2-CD2 4.15Å; W303-L316 HydrophobicContact CH2-CG 4.42Å; W303-L316 HydrophobicContact CZ2-CD1 3.45Å; W303-L316 VanDerWaalsContact CZ2-CD1 3.45Å; W303-L316 HydrophobicContact CZ2-CD2 4.3Å; W303-L316 HydrophobicContact CZ3-CD1 3.87Å; W303-L316 HydrophobicContact CZ3-CD2 3.77Å; W303-L316 HydrophobicContact CZ3-CG 4.46Å; W303-F318 HydrophobicContact CB-CZ 4.48Å; W303-F318 AromaticContact CD1-CE1 3.7Å; W303-F318 AromaticContact CD1-CZ 3.77Å; W303-F318 HydrophobicContact CD2-CE1 4.48Å; W303-F318 HydrophobicContact CD2-CZ 4.38Å; W303-F318 HydrophobicContact CG-CE1 4.26Å; W303-F318 AromaticContact CG-CZ 3.97Å; W303-F318 HydrophobicContact CG-CZ 3.97Å; W303-F318 AromaticContact NE1-CE1 3.59Å; W303-W325 HydrophobicContact CH2-CB 3.96Å; W303-W325 AromaticContact CH2-CD1 3.92Å; W303-W325 HydrophobicContact CH2-CD2 4.31Å; W303-W325 AromaticContact CH2-CG 3.79Å; W303-W325 HydrophobicContact CH2-CG 3.79Å; W303-W325 HydrophobicContact CZ2-CB 3.71Å; W303-W325 AromaticContact CZ2-CD1 3.82Å; W303-W325 AromaticContact CZ2-CG 3.84Å; W303-W325 HydrophobicContact CZ2-CG 3.84Å
304	R	91.1	Very high	91.7	Very high	174 Å²	174	68.8 Å²	68.8	66%	0.657	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-57.7	-23.9	175	-63	176.3	-175.3	-176.3	0.8	113.1	N271 R301 E302 I306	N271-R304 PolarHBondContact ND2-O 3.11Å; R301-R304 WeakPolarHBondContact O-CB 3.5Å; R301-R304 VanDerWaalsContact O-CG 3.23Å; R301-R304 WeakPolarHBondContact O-CG 3.37Å; R301-R304 PolarHBondContact O-N 2.95Å; E302-R304 PolarHBondContact O-N 3.1Å; R304-I306 VanDerWaalsContact C-N 3.31Å
305	N	91.3	Very high	91.1	Very high	47 Å²	47	70.3 Å²	70.3	25%	0.251	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-81.4	-6.2	177.6	-59.6	-44.3	0	0	0	113.7	T270 N271 Y272 E302 W303	T270-N305 CarbonylContact C-O 3.48Å; T270-N305 WeakPolarHBondContact CA-O 3.44Å; N271-N305 PolarHBondContact N-O 3.17Å; N271-N305 PolarHBondContact ND2-O 3.26Å; Y272-N305 HydrophobicContact CE2-CB 4.02Å; Y272-N305 PolarHBondContact OH-OD1 3.15Å; E302-N305 VanDerWaalsContact O-CB 3.23Å; E302-N305 WeakPolarHBondContact O-CB 3.37Å; E302-N305 PolarHBondContact O-N 2.72Å; E302-N305 PolarHBondContact O-ND2 2.96Å; W303-N305 PolarHBondContact O-N 2.79Å; W303-N305 VanDerWaalsContact O-N 3.09Å
306	I	91.5	Very high	90.5	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	33%	0.329	C	S	.	.	S	Bend	trans	-101.7	130.8	176.8	-55	-58.6	0	0	0	109.3	V268 T270 I277 W296 W303 R304 E310 R311	V268-I306 HydrophobicContact CG1-CD1 4Å; V268-I306 HydrophobicContact CG1-CG2 3.68Å; T270-I306 HydrophobicContact CG2-CD1 4.02Å; I277-I306 HydrophobicContact CG2-CD1 4.24Å; W296-I306 HydrophobicContact CH2-CD1 3.86Å; W296-I306 HydrophobicContact CH2-CG1 3.9Å; W296-I306 HydrophobicContact CZ3-CD1 4.01Å; W296-I306 HydrophobicContact CZ3-CG1 3.56Å; W303-I306 HydrophobicContact CE3-CG1 4.14Å; W303-I306 HydrophobicContact CZ3-CG1 4.44Å; W303-I306 PolarHBondContact O-N 2.97Å; R304-I306 VanDerWaalsContact C-N 3.31Å; I306-E310 HydrophobicContact CG2-CB 3.65Å; I306-R311 HydrophobicContact CB-CG 4.07Å; I306-R311 HydrophobicContact CG2-CG 3.74Å; I306-R311 VanDerWaalsContact O-CZ 3.31Å; I306-R311 PolarHBondContact O-NE 3.2Å; I306-R311 PolarHBondContact O-NH2 3.22Å
307	P	91.2	Very high	89.8	Confident	34 Å²	34	71.4 Å²	71.4	22%	0.221	34%	0.344	C	S	.	.			trans	-57.4	145.7	176.2	-22.6	30.5	0	0	0	112.5	H269 N271 D309 E310 R311	H269-P307 VanDerWaalsContact O-CD 3.25Å; H269-P307 WeakPolarHBondContact O-CD 3.5Å; N271-P307 VanDerWaalsContact OD1-CD 3.31Å; N271-P307 WeakPolarHBondContact OD1-CD 3.44Å; N271-P307 VanDerWaalsContact OD1-CG 3.31Å; N271-P307 WeakPolarHBondContact OD1-CG 3.39Å; P307-D309 VanDerWaalsContact C-N 3.26Å; P307-D309 PolarHBondContact O-N 3.35Å; P307-E310 HydrophobicContact CB-CB 4.4Å; P307-E310 HydrophobicContact CB-CG 4.48Å; P307-E310 HydrophobicContact CG-CG 4.33Å; P307-E310 PolarHBondContact O-N 3.07Å; P307-E310 VanDerWaalsContact O-N 3.09Å; P307-R311 PolarHBondContact O-N 3.05Å
308	P	90.6	Very high	89.1	Confident	97 Å²	97	75.8 Å²	75.8	63%	0.63	36%	0.362	S	S	*	.	H	α-helix	trans	-54.2	-38.6	178.3	-27.5	35.4	0	0	0	114.2	R311 K312	P308-R311 PolarHBondContact O-N 3.37Å; P308-K312 PolarHBondContact O-N 2.99Å
309	D	90.7	Very high	88.6	Confident	133 Å²	133	78.9 Å²	78.9	71%	0.711	38%	0.379	S	S	*	.	H	α-helix	trans	-67.1	-37.7	179	-63.9	-33.9	0	0	0	112.2	P307 K312 R313	P307-D309 VanDerWaalsContact C-N 3.26Å; P307-D309 PolarHBondContact O-N 3.35Å; D309-K312 PolarHBondContact O-N 2.93Å; D309-R313 WeakPolarHBondContact O-CB 3.37Å; D309-R313 PolarHBondContact O-N 3.2Å
310	E	89.9	Confident	88.1	Confident	30 Å²	30	77.1 Å²	77.1	14%	0.14	37%	0.371	C	S	.	.	H	α-helix	trans	-67	-40	173.8	-80.2	-66.8	98.1	0	0	111.3	V268 H269 I306 P307 K312 R313 I314	V268-E310 HydrophobicContact CG1-CB 4.06Å; V268-E310 HydrophobicContact CG1-CG 4.45Å; H269-E310 HydrophobicContact CB-CG 4.32Å; H269-E310 PolarHBondContact N-OE2 2.93Å; H269-E310 IonicContact ND1-OE2 2.66Å; I306-E310 HydrophobicContact CG2-CB 3.65Å; P307-E310 HydrophobicContact CB-CB 4.4Å; P307-E310 HydrophobicContact CB-CG 4.48Å; P307-E310 HydrophobicContact CG-CG 4.33Å; P307-E310 PolarHBondContact O-N 3.07Å; P307-E310 VanDerWaalsContact O-N 3.09Å; E310-K312 VanDerWaalsContact C-N 3.31Å; E310-K312 PolarHBondContact O-N 3.03Å; E310-R313 WeakPolarHBondContact O-CB 3.41Å; E310-R313 PolarHBondContact O-N 3.3Å; E310-R313 VanDerWaalsContact O-N 3.17Å; E310-R313 WeakPolarHBondContact OE1-CD 3.36Å; E310-R313 IonicContact OE1-CZ 2.94Å; E310-R313 IonicContact OE1-NE 3.84Å; E310-R313 PolarHBondContact OE1-NE 3.13Å; E310-R313 IonicContact OE1-NH2 3.86Å; E310-R313 IonicContact OE2-CZ 3.11Å; E310-R313 IonicContact OE2-NE 3.28Å; E310-R313 PolarHBondContact OE2-NE 2.88Å; E310-R313 IonicContact OE2-NH2 3.87Å; E310-R313 PolarHBondContact OE2-NH2 2.88Å; E310-I314 PolarHBondContact O-N 3Å
311	R	90.8	Very high	87.5	Confident	71 Å²	71	77.4 Å²	77.4	27%	0.268	37%	0.371	S	S	.	.	H	α-helix	trans	-60.9	-42	174.4	-62.5	-173.4	-152.6	166.6	13	111.6	W303 I306 P307 P308 I314 G315 L316	W303-R311 PolarHBondContact O-NE 3.36Å; W303-R311 PolarHBondContact O-NH2 2.91Å; I306-R311 HydrophobicContact CB-CG 4.07Å; I306-R311 HydrophobicContact CG2-CG 3.74Å; I306-R311 VanDerWaalsContact O-CZ 3.31Å; I306-R311 PolarHBondContact O-NE 3.2Å; I306-R311 PolarHBondContact O-NH2 3.22Å; P307-R311 PolarHBondContact O-N 3.05Å; P308-R311 PolarHBondContact O-N 3.37Å; R311-I314 VanDerWaalsContact O-CG1 3.32Å; R311-I314 WeakPolarHBondContact O-CG1 3.43Å; R311-I314 PolarHBondContact O-N 2.95Å; R311-G315 PolarHBondContact O-N 3.07Å; R311-L316 HydrophobicContact CB-CB 4.27Å; R311-L316 HydrophobicContact CB-CD2 4.06Å; R311-L316 HydrophobicContact CG-CD2 3.97Å; R311-L316 WeakPolarHBondContact O-CB 3.47Å; R311-L316 PolarHBondContact O-N 2.87Å
312	K	89.6	Confident	87.2	Confident	175 Å²	175	68.5 Å²	68.5	76%	0.761	34%	0.337	S	S	*	.	H	α-helix	trans	-65.5	-40.4	174.6	-170.6	178.1	-179.5	-179.3	0	111.5	P308 D309 E310 I314 G315	P308-K312 PolarHBondContact O-N 2.99Å; D309-K312 PolarHBondContact O-N 2.93Å; E310-K312 VanDerWaalsContact C-N 3.31Å; E310-K312 PolarHBondContact O-N 3.03Å; K312-I314 VanDerWaalsContact C-N 3.33Å; K312-I314 PolarHBondContact O-N 3.03Å; K312-G315 PolarHBondContact O-N 3.46Å; K312-G315 VanDerWaalsContact O-N 3.09Å
313	R	90.8	Very high	87.1	Confident	113 Å²	113	65.6 Å²	65.6	43%	0.426	32%	0.324	S	S	.	.	H	α-helix	trans	-60.4	-41.7	177.5	-175.3	-175.4	67.9	85.8	-3.2	112	R266 Q267 D309 E310 G315	R266-R313 PolarHBondContact NH1-O 3.45Å; Q267-R313 PolarHBondContact O-NH2 2.95Å; D309-R313 WeakPolarHBondContact O-CB 3.37Å; D309-R313 PolarHBondContact O-N 3.2Å; E310-R313 WeakPolarHBondContact O-CB 3.41Å; E310-R313 PolarHBondContact O-N 3.3Å; E310-R313 VanDerWaalsContact O-N 3.17Å; E310-R313 WeakPolarHBondContact OE1-CD 3.36Å; E310-R313 IonicContact OE1-CZ 2.94Å; E310-R313 IonicContact OE1-NE 3.84Å; E310-R313 PolarHBondContact OE1-NE 3.13Å; E310-R313 IonicContact OE1-NH2 3.86Å; E310-R313 IonicContact OE2-CZ 3.11Å; E310-R313 IonicContact OE2-NE 3.28Å; E310-R313 PolarHBondContact OE2-NE 2.88Å; E310-R313 IonicContact OE2-NH2 3.87Å; E310-R313 PolarHBondContact OE2-NH2 2.88Å; R313-G315 PolarHBondContact O-N 2.86Å
314	I	88.6	Confident	87.2	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.01	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-4	177.7	71.6	176.8	0	0	0	113.6	V268 W303 E310 R311 K312 L316 W325	V268-I314 HydrophobicContact CG2-CG2 3.92Å; W303-I314 HydrophobicContact CH2-CD1 4.06Å; W303-I314 HydrophobicContact CZ3-CD1 3.77Å; E310-I314 PolarHBondContact O-N 3Å; R311-I314 VanDerWaalsContact O-CG1 3.32Å; R311-I314 WeakPolarHBondContact O-CG1 3.43Å; R311-I314 PolarHBondContact O-N 2.95Å; K312-I314 VanDerWaalsContact C-N 3.33Å; K312-I314 PolarHBondContact O-N 3.03Å; I314-L316 VanDerWaalsContact C-N 3.34Å; I314-L316 HydrophobicContact CD1-CB 4.3Å; I314-L316 HydrophobicContact CD1-CD1 4.36Å; I314-L316 HydrophobicContact CG1-CB 4.04Å; I314-W325 HydrophobicContact CB-CZ2 4.34Å; I314-W325 HydrophobicContact CD1-CZ2 4.43Å
315	G	83.3	Confident	87.4	Confident	41 Å²	41	57.3 Å²	57.3	42%	0.423	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	40	-179.4	0	0	0	0	0	112.1	R311 K312 R313 T317	R311-G315 PolarHBondContact O-N 3.07Å; K312-G315 PolarHBondContact O-N 3.46Å; K312-G315 VanDerWaalsContact O-N 3.09Å; R313-G315 PolarHBondContact O-N 2.86Å; G315-T317 PolarHBondContact O-N 3.48Å
316	L	82.8	Confident	87.6	Confident	29 Å²	29	55.1 Å²	55.1	15%	0.152	28%	0.281	C	S	.	.			trans	-63.9	121.6	-176.5	-170.1	65.7	0	0	0	111	W303 R311 I314 F318	W303-L316 HydrophobicContact CD2-CD1 4.4Å; W303-L316 HydrophobicContact CD2-CD2 3.72Å; W303-L316 HydrophobicContact CE3-CD1 4.33Å; W303-L316 HydrophobicContact CE3-CD2 3.52Å; W303-L316 HydrophobicContact CG-CD2 4.35Å; W303-L316 HydrophobicContact CH2-CD1 3.4Å; W303-L316 HydrophobicContact CH2-CD2 4.15Å; W303-L316 HydrophobicContact CH2-CG 4.42Å; W303-L316 HydrophobicContact CZ2-CD1 3.45Å; W303-L316 VanDerWaalsContact CZ2-CD1 3.45Å; W303-L316 HydrophobicContact CZ2-CD2 4.3Å; W303-L316 HydrophobicContact CZ3-CD1 3.87Å; W303-L316 HydrophobicContact CZ3-CD2 3.77Å; W303-L316 HydrophobicContact CZ3-CG 4.46Å; R311-L316 HydrophobicContact CB-CB 4.27Å; R311-L316 HydrophobicContact CB-CD2 4.06Å; R311-L316 HydrophobicContact CG-CD2 3.97Å; R311-L316 WeakPolarHBondContact O-CB 3.47Å; R311-L316 PolarHBondContact O-N 2.87Å; I314-L316 VanDerWaalsContact C-N 3.34Å; I314-L316 HydrophobicContact CD1-CB 4.3Å; I314-L316 HydrophobicContact CD1-CD1 4.36Å; I314-L316 HydrophobicContact CG1-CB 4.04Å; L316-F318 HydrophobicContact CD1-CE1 4.1Å; L316-F318 HydrophobicContact CD1-CZ 4.45Å; L316-F318 HydrophobicContact CD2-CE1 3.97Å; L316-F318 HydrophobicContact CD2-CE2 4.15Å; L316-F318 HydrophobicContact CD2-CZ 3.47Å; L316-F318 VanDerWaalsContact CD2-CZ 3.47Å; L316-F318 HydrophobicContact CG-CE1 3.97Å; L316-F318 HydrophobicContact CG-CE2 4.44Å; L316-F318 HydrophobicContact CG-CZ 3.87Å
317	T	80.1	Confident	87.9	Confident	63 Å²	63	55.7 Å²	55.7	39%	0.387	29%	0.285	S	S	.	.			trans	-119.7	159.6	171.1	50.2	0	0	0	0	109	G315	G315-T317 PolarHBondContact O-N 3.48Å
318	F	79.4	Confident	88.1	Confident	102 Å²	102	54.5 Å²	54.5	45%	0.447	28%	0.276	S	S	.	.			trans	-134.7	79.1	179.3	-62.2	-54.7	0	0	0	108.1	D298 W303 L316	D298-F318 HydrophobicContact CB-CB 4.49Å; D298-F318 HydrophobicContact CB-CD1 3.83Å; D298-F318 VanDerWaalsContact O-CD1 3.23Å; D298-F318 WeakPolarHBondContact O-CD1 3.13Å; D298-F318 VanDerWaalsContact O-CE1 3.29Å; D298-F318 WeakPolarHBondContact O-CE1 2.92Å; D298-F318 VanDerWaalsContact OD2-CA 3.31Å; D298-F318 WeakPolarHBondContact OD2-CA 3.32Å; W303-F318 HydrophobicContact CB-CZ 4.48Å; W303-F318 AromaticContact CD1-CE1 3.7Å; W303-F318 AromaticContact CD1-CZ 3.77Å; W303-F318 HydrophobicContact CD2-CE1 4.48Å; W303-F318 HydrophobicContact CD2-CZ 4.38Å; W303-F318 HydrophobicContact CG-CE1 4.26Å; W303-F318 AromaticContact CG-CZ 3.97Å; W303-F318 HydrophobicContact CG-CZ 3.97Å; W303-F318 AromaticContact NE1-CE1 3.59Å; L316-F318 HydrophobicContact CD1-CE1 4.1Å; L316-F318 HydrophobicContact CD1-CZ 4.45Å; L316-F318 HydrophobicContact CD2-CE1 3.97Å; L316-F318 HydrophobicContact CD2-CE2 4.15Å; L316-F318 HydrophobicContact CD2-CZ 3.47Å; L316-F318 VanDerWaalsContact CD2-CZ 3.47Å; L316-F318 HydrophobicContact CG-CE1 3.97Å; L316-F318 HydrophobicContact CG-CE2 4.44Å; L316-F318 HydrophobicContact CG-CZ 3.87Å
319	D	78	Confident	88.4	Confident	90 Å²	90	54.5 Å²	54.5	48%	0.481	27%	0.271	S	S	.	.			trans	-128.6	145.4	-171	-66.8	-51	0	0	0	108.7	D298 D321	D298-D319 PolarHBondContact OD2-N 2.84Å; D319-D321 HydrophobicContact CB-CB 4.45Å; D319-D321 PolarHBondContact O-N 3.42Å
320	E	78.1	Confident	88.7	Confident	144 Å²	144	49.9 Å²	49.9	67%	0.673	25%	0.246	S	C	*	.	S	Bend	trans	-80.4	66.4	178.5	-64.7	175.1	176.1	0	0	110.5	E289	E289-E320 HydrophobicContact CB-CB 4.46Å; E289-E320 HydrophobicContact CB-CG 4.42Å
321	D	80.7	Confident	89	Confident	21 Å²	21	48.4 Å²	48.4	11%	0.112	24%	0.239	C	C	.	.	S	Bend	trans	-119.8	5.7	-170.5	70.4	23.1	0	0	0	113.8	F87 G287 E291 D319 E323	F87-D321 HydrophobicContact CD1-CB 3.76Å; F87-D321 HydrophobicContact CE1-CB 3.52Å; F87-D321 WeakPolarHBondContact CE1-OD1 3.49Å; F87-D321 WeakPolarHBondContact CE1-OD2 3.48Å; F87-D321 HydrophobicContact CZ-CB 4.22Å; F87-D321 WeakPolarHBondContact CZ-OD2 3.41Å; G287-D321 WeakPolarHBondContact CA-O 3.2Å; E291-D321 PolarHBondContact OE1-N 3Å; D319-D321 HydrophobicContact CB-CB 4.45Å; D319-D321 PolarHBondContact O-N 3.42Å; D321-E323 VanDerWaalsContact C-N 3.28Å; D321-E323 WeakPolarHBondContact OD1-CA 3.47Å; D321-E323 WeakPolarHBondContact OD1-CB 3.26Å; D321-E323 PolarHBondContact OD1-N 3.21Å
322	G	86.4	Confident	89.3	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.234	C	C	.	.	S	Bend	trans	84.1	-5.8	-178.1	0	0	0	0	0	113.7	R283 N284 N288 E291 F324	R283-G322 CarbonylContact C-O 3.49Å; R283-G322 WeakPolarHBondContact CA-O 3.47Å; N284-G322 PolarHBondContact N-O 3.3Å; N288-G322 WeakPolarHBondContact O-CA 3.45Å; N288-G322 PolarHBondContact O-N 3.24Å; E291-G322 WeakPolarHBondContact OE1-CA 3.14Å; E291-G322 PolarHBondContact OE1-N 2.89Å; G322-F324 WeakPolarHBondContact O-CD1 3.4Å
323	E	91.7	Very high	89.6	Confident	7 Å²	7	44.4 Å²	44.4	3%	0.033	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	133.1	178.2	-168.9	167.9	-102.2	0	0	111.6	R86 T263 R281 L282 R283 D321	R86-E323 IonicContact CZ-OE1 2.65Å; R86-E323 VanDerWaalsContact CZ-OE1 3.3Å; R86-E323 IonicContact CZ-OE2 3.77Å; R86-E323 IonicContact NE-OE1 2.86Å; R86-E323 PolarHBondContact NE-OE1 3.28Å; R86-E323 IonicContact NE-OE2 3.25Å; R86-E323 VanDerWaalsContact NH2-CD 3.28Å; R86-E323 IonicContact NH2-OE1 3.67Å; R86-E323 PolarHBondContact NH2-OE1 3.43Å; R86-E323 VanDerWaalsContact NH2-OE1 3.12Å; R86-E323 IonicContact NH2-OE2 3.18Å; R86-E323 PolarHBondContact NH2-OE2 2.82Å; T263-E323 WeakPolarHBondContact CB-OE1 3.36Å; T263-E323 PolarHBondContact OG1-OE1 3.26Å; R281-E323 VanDerWaalsContact CD-OE2 3.25Å; R281-E323 WeakPolarHBondContact CD-OE2 3.39Å; R281-E323 HydrophobicContact CG-CG 3.54Å; R281-E323 IonicContact CZ-OE1 3.64Å; R281-E323 IonicContact CZ-OE2 2.68Å; R281-E323 IonicContact NE-OE1 3.27Å; R281-E323 PolarHBondContact NE-OE1 3.38Å; R281-E323 IonicContact NE-OE2 3.66Å; R281-E323 PolarHBondContact NE-OE2 3.38Å; R281-E323 IonicContact NH1-OE2 3.38Å; R281-E323 PolarHBondContact NH1-OE2 2.92Å; L282-E323 CarbonylContact O-C 3.46Å; L282-E323 VanDerWaalsContact O-CA 3.31Å; L282-E323 WeakPolarHBondContact O-CA 3.33Å; L282-E323 WeakPolarHBondContact O-CG 3.36Å; R283-E323 HydrophobicContact CB-CB 4.43Å; R283-E323 HydrophobicContact CG-CB 4.44Å; D321-E323 VanDerWaalsContact C-N 3.28Å; D321-E323 WeakPolarHBondContact OD1-CA 3.47Å; D321-E323 WeakPolarHBondContact OD1-CB 3.26Å; D321-E323 PolarHBondContact OD1-N 3.21Å
324	F	94	Very high	89.8	Confident	1 Å²	1	42.1 Å²	42.1	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	157.2	179.3	56	-94.9	0	0	0	111.3	L254 Y260 R281 L282 E291 W292 G322 M326	L254-F324 HydrophobicContact CD2-CE2 4.26Å; L254-F324 HydrophobicContact CD2-CZ 3.95Å; Y260-F324 HydrophobicContact CD1-CE1 4.25Å; Y260-F324 HydrophobicContact CD1-CZ 4.11Å; Y260-F324 AromaticContact CE1-CE1 3.94Å; Y260-F324 HydrophobicContact CE1-CE1 3.94Å; Y260-F324 AromaticContact CE1-CZ 3.92Å; Y260-F324 HydrophobicContact CE1-CZ 3.92Å; R281-F324 WeakPolarHBondContact CA-O 3.48Å; L282-F324 HydrophobicContact CB-CD2 4.4Å; L282-F324 HydrophobicContact CB-CE2 3.82Å; L282-F324 HydrophobicContact CB-CZ 3.89Å; L282-F324 HydrophobicContact CD1-CE2 4.02Å; L282-F324 HydrophobicContact CD1-CZ 4.34Å; L282-F324 HydrophobicContact CG-CE2 4.35Å; L282-F324 PolarHBondContact N-O 3.5Å; L282-F324 PolarHBondContact O-N 3.37Å; E291-F324 HydrophobicContact CB-CB 4.36Å; E291-F324 HydrophobicContact CB-CD1 3.89Å; E291-F324 HydrophobicContact CB-CG 4.44Å; E291-F324 HydrophobicContact CG-CD1 4.05Å; W292-F324 HydrophobicContact CB-CB 4.18Å; W292-F324 HydrophobicContact CB-CD1 4.24Å; W292-F324 HydrophobicContact CB-CD2 3.22Å; W292-F324 HydrophobicContact CB-CE1 4.47Å; W292-F324 HydrophobicContact CB-CE2 3.5Å; W292-F324 VanDerWaalsContact CB-CE2 3.5Å; W292-F324 HydrophobicContact CB-CG 3.62Å; W292-F324 HydrophobicContact CB-CZ 4.13Å; W292-F324 HydrophobicContact CG-CD2 4.08Å; W292-F324 HydrophobicContact CG-CE2 4.35Å; G322-F324 WeakPolarHBondContact O-CD1 3.4Å; F324-M326 HydrophobicContact CE2-SD 4.43Å
325	W	95.6	Very high	90.2	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.015	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	149.4	169.9	-65.8	85	0	0	0	111.3	D264 R266 L279 I280 R281 W296 W303 I314	D264-W325 HydrophobicContact CB-CH2 3.89Å; R266-W325 HydrophobicContact CG-CH2 4.39Å; L279-W325 HydrophobicContact CB-CE3 3.69Å; L279-W325 HydrophobicContact CB-CZ3 4.01Å; I280-W325 WeakPolarHBondContact O-CA 3.29Å; R281-W325 HydrophobicContact CB-CD2 3.76Å; R281-W325 HydrophobicContact CB-CE3 3.72Å; R281-W325 HydrophobicContact CB-CG 4.42Å; R281-W325 HydrophobicContact CB-CH2 3.92Å; R281-W325 HydrophobicContact CB-CZ2 3.94Å; R281-W325 HydrophobicContact CB-CZ3 3.81Å; R281-W325 VanDerWaalsContact CD-CE2 3.49Å; R281-W325 HydrophobicContact CG-CD2 4.04Å; R281-W325 HydrophobicContact CG-CG 4.32Å; R281-W325 HydrophobicContact CG-CZ2 4.25Å; W296-W325 CarbonylContact C-O 3.6Å; W296-W325 VanDerWaalsContact O-O 3.11Å; W303-W325 HydrophobicContact CH2-CB 3.96Å; W303-W325 AromaticContact CH2-CD1 3.92Å; W303-W325 HydrophobicContact CH2-CD2 4.31Å; W303-W325 AromaticContact CH2-CG 3.79Å; W303-W325 HydrophobicContact CH2-CG 3.79Å; W303-W325 HydrophobicContact CZ2-CB 3.71Å; W303-W325 AromaticContact CZ2-CD1 3.82Å; W303-W325 AromaticContact CZ2-CG 3.84Å; W303-W325 HydrophobicContact CZ2-CG 3.84Å; I314-W325 HydrophobicContact CB-CZ2 4.34Å; I314-W325 HydrophobicContact CD1-CZ2 4.43Å
326	M	96.5	Very high	90.7	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	166.5	167.2	70.4	-172.6	-47.7	0	0	110.5	L279 I280 L282 W292 F324 D330 F331 Y334 F335	L279-M326 WeakPolarHBondContact CA-O 3.45Å; I280-M326 HydrophobicContact CG2-CG 3.66Å; I280-M326 PolarHBondContact N-O 2.9Å; I280-M326 PolarHBondContact O-N 3.32Å; L282-M326 HydrophobicContact CD1-SD 3.73Å; W292-M326 HydrophobicContact CD2-CE 4.25Å; W292-M326 HydrophobicContact CE3-CE 4.21Å; W292-M326 HydrophobicContact CG-CB 4.45Å; W292-M326 HydrophobicContact CH2-CE 3.97Å; W292-M326 HydrophobicContact CZ2-CE 4.02Å; W292-M326 HydrophobicContact CZ3-CE 4.07Å; F324-M326 HydrophobicContact CE2-SD 4.43Å; M326-D330 HydrophobicContact CE-CB 3.6Å; M326-F331 HydrophobicContact CG-CB 4.2Å; M326-F331 HydrophobicContact SD-CB 3.91Å; M326-Y334 HydrophobicContact CE-CD2 4.33Å; M326-F335 HydrophobicContact CE-CE2 4.36Å; M326-F335 HydrophobicContact SD-CD2 4.34Å; M326-F335 HydrophobicContact SD-CE2 3.78Å
327	S	96.6	Very high	91.3	Very high	12 Å²	12	44.6 Å²	44.6	8%	0.084	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	146.2	172.2	83.9	0	0	0	0	110.2	D329 D330 F331	S327-D329 PolarHBondContact O-N 3.4Å; S327-D330 PolarHBondContact O-N 3.1Å; S327-D330 WeakPolarHBondContact OG-CB 3.38Å; S327-D330 PolarHBondContact OG-N 2.66Å; S327-D330 PolarHBondContact OG-OD2 2.96Å; S327-F331 PolarHBondContact O-N 2.6Å
328	F	97	Very high	92	Very high	9 Å²	9	41.6 Å²	41.6	4%	0.039	20%	0.201	C	C	.	.	H	α-helix	trans	-61.2	-32.1	177.1	-176.5	-101	0	0	0	112.3	L221 F222 M225 I265 R278 F331 V332	L221-F328 HydrophobicContact CB-CZ 4.04Å; L221-F328 HydrophobicContact CD2-CZ 4Å; L221-F328 HydrophobicContact CG-CZ 3.89Å; F222-F328 HydrophobicContact CB-CD1 4.31Å; F222-F328 HydrophobicContact CB-CE1 3.89Å; F222-F328 HydrophobicContact CB-CE2 4.25Å; F222-F328 HydrophobicContact CB-CZ 3.86Å; F222-F328 HydrophobicContact CD2-CB 4.25Å; F222-F328 HydrophobicContact CD2-CD1 4.14Å; F222-F328 AromaticContact CD2-CD2 3.69Å; F222-F328 HydrophobicContact CD2-CD2 3.69Å; F222-F328 HydrophobicContact CD2-CE1 4.44Å; F222-F328 HydrophobicContact CD2-CE2 4.02Å; F222-F328 AromaticContact CD2-CG 3.74Å; F222-F328 HydrophobicContact CD2-CG 3.74Å; F222-F328 HydrophobicContact CD2-CZ 4.38Å; F222-F328 HydrophobicContact CE2-CD2 4.43Å; F222-F328 HydrophobicContact CE2-CG 4.5Å; M225-F328 HydrophobicContact SD-CE2 3.77Å; M225-F328 HydrophobicContact SD-CZ 4.43Å; I265-F328 HydrophobicContact CD1-CD2 4.05Å; I265-F328 HydrophobicContact CD1-CE2 4.02Å; R278-F328 HydrophobicContact CB-CB 3.71Å; R278-F328 HydrophobicContact CB-CG 4.48Å; R278-F328 PolarHBondContact O-N 2.85Å; F328-F331 HydrophobicContact CD2-CD1 4.16Å; F328-F331 HydrophobicContact CE2-CD1 4.03Å; F328-F331 HydrophobicContact CE2-CE1 4.38Å; F328-F331 WeakPolarHBondContact O-CB 3.42Å; F328-F331 PolarHBondContact O-N 3.47Å; F328-V332 HydrophobicContact CD1-CG2 4.21Å; F328-V332 HydrophobicContact CE1-CG2 3.73Å; F328-V332 HydrophobicContact CE2-CG2 4.48Å; F328-V332 HydrophobicContact CZ-CG2 3.89Å; F328-V332 WeakPolarHBondContact O-CG2 3.26Å; F328-V332 PolarHBondContact O-N 2.79Å
329	D	95.7	Very high	92.8	Very high	97 Å²	97	37.1 Å²	37.1	52%	0.519	18%	0.181	S	C	.	.	H	α-helix	trans	-71.3	-38.7	179.2	-57.4	-39.6	0	0	0	110.9	R278 S327 V332 H333	R278-D329 IonicContact CZ-OD1 2.86Å; R278-D329 IonicContact NH2-OD1 3.23Å; R278-D329 PolarHBondContact NH2-OD1 3.39Å; S327-D329 PolarHBondContact O-N 3.4Å; D329-V332 PolarHBondContact O-N 3.19Å; D329-H333 WeakPolarHBondContact O-CB 3.29Å; D329-H333 PolarHBondContact O-N 2.83Å
330	D	96.6	Very high	93.4	Very high	36 Å²	36	32.9 Å²	32.9	19%	0.193	16%	0.159	C	C	.	.	H	α-helix	trans	-64.1	-40.9	171.4	-69.1	-45.1	0	0	0	111	W292 M326 S327 V332 H333 Y334	W292-D330 HydrophobicContact CZ2-CB 4.35Å; M326-D330 HydrophobicContact CE-CB 3.6Å; S327-D330 PolarHBondContact O-N 3.1Å; S327-D330 WeakPolarHBondContact OG-CB 3.38Å; S327-D330 PolarHBondContact OG-N 2.66Å; S327-D330 PolarHBondContact OG-OD2 2.96Å; D330-V332 PolarHBondContact O-N 2.81Å; D330-H333 WeakPolarHBondContact O-CB 3.33Å; D330-H333 PolarHBondContact O-N 2.93Å; D330-H333 VanDerWaalsContact O-N 3.1Å; D330-Y334 HydrophobicContact CB-CD2 4.05Å; D330-Y334 HydrophobicContact CB-CE2 4.24Å; D330-Y334 VanDerWaalsContact O-CD2 3.23Å; D330-Y334 WeakPolarHBondContact O-CD2 2.98Å; D330-Y334 PolarHBondContact O-N 3.12Å
331	F	97.2	Very high	94.1	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-56.4	-50.7	175.4	165.9	-107.3	0	0	0	111.8	L213 M225 C237 I280 L282 M326 S327 F328 H333 Y334 F335 L338	L213-F331 HydrophobicContact CD1-CE1 3.99Å; L213-F331 HydrophobicContact CD1-CE2 4.04Å; L213-F331 HydrophobicContact CD1-CZ 3.6Å; L213-F331 HydrophobicContact CD2-CE1 4.07Å; L213-F331 HydrophobicContact CD2-CZ 4.38Å; M225-F331 HydrophobicContact CE-CE1 4.22Å; M225-F331 HydrophobicContact CE-CZ 4.41Å; M225-F331 HydrophobicContact SD-CE1 4.06Å; C237-F331 HydrophobicContact CB-CE2 3.82Å; C237-F331 HydrophobicContact CB-CZ 4.15Å; I280-F331 HydrophobicContact CD1-CD1 3.93Å; I280-F331 HydrophobicContact CD1-CD2 4.1Å; I280-F331 HydrophobicContact CD1-CE1 4Å; I280-F331 HydrophobicContact CD1-CE2 4.16Å; I280-F331 HydrophobicContact CD1-CG 3.98Å; I280-F331 HydrophobicContact CD1-CZ 4.11Å; I280-F331 HydrophobicContact CG2-CB 3.66Å; I280-F331 HydrophobicContact CG2-CG 4.03Å; L282-F331 HydrophobicContact CD1-CD2 4.06Å; L282-F331 HydrophobicContact CD1-CE2 4.48Å; M326-F331 HydrophobicContact CG-CB 4.2Å; M326-F331 HydrophobicContact SD-CB 3.91Å; S327-F331 PolarHBondContact O-N 2.6Å; F328-F331 HydrophobicContact CD2-CD1 4.16Å; F328-F331 HydrophobicContact CE2-CD1 4.03Å; F328-F331 HydrophobicContact CE2-CE1 4.38Å; F328-F331 WeakPolarHBondContact O-CB 3.42Å; F328-F331 PolarHBondContact O-N 3.47Å; F331-H333 PolarHBondContact O-N 3.17Å; F331-Y334 PolarHBondContact O-N 3.49Å; F331-F335 HydrophobicContact CD2-CB 4.03Å; F331-F335 AromaticContact CD2-CD2 3.52Å; F331-F335 HydrophobicContact CD2-CD2 3.52Å; F331-F335 HydrophobicContact CD2-CE2 4.12Å; F331-F335 AromaticContact CD2-CG 3.76Å; F331-F335 HydrophobicContact CD2-CG 3.76Å; F331-F335 HydrophobicContact CE2-CB 3.85Å; F331-F335 HydrophobicContact CE2-CD1 4.2Å; F331-F335 AromaticContact CE2-CD2 3.99Å; F331-F335 HydrophobicContact CE2-CD2 3.99Å; F331-F335 AromaticContact CE2-CG 3.74Å; F331-F335 HydrophobicContact CE2-CG 3.74Å; F331-F335 WeakPolarHBondContact O-CB 3.47Å; F331-F335 PolarHBondContact O-N 3.49Å; F331-L338 HydrophobicContact CZ-CB 4.47Å; F331-L338 HydrophobicContact CZ-CD1 4.19Å
332	V	96.7	Very high	94.3	Very high	26 Å²	26	26.7 Å²	26.7	16%	0.158	13%	0.129	C	C	.	.	H	α-helix	trans	-63.3	-29.1	177.8	175	0	0	0	0	111.9	G214 A217 L221 F328 D329 D330	G214-V332 VanDerWaalsContact CA-O 3.27Å; G214-V332 WeakPolarHBondContact CA-O 3.34Å; G214-V332 PolarHBondContact N-O 2.7Å; A217-V332 HydrophobicContact CB-CG1 3.97Å; L221-V332 HydrophobicContact CD2-CG2 4.24Å; F328-V332 HydrophobicContact CD1-CG2 4.21Å; F328-V332 HydrophobicContact CE1-CG2 3.73Å; F328-V332 HydrophobicContact CE2-CG2 4.48Å; F328-V332 HydrophobicContact CZ-CG2 3.89Å; F328-V332 WeakPolarHBondContact O-CG2 3.26Å; F328-V332 PolarHBondContact O-N 2.79Å; D329-V332 PolarHBondContact O-N 3.19Å; D330-V332 PolarHBondContact O-N 2.81Å
333	H	95.5	Very high	93.9	Very high	135 Å²	135	27.8 Å²	27.8	63%	0.625	14%	0.135	S	C	*	.	H	α-helix	trans	-77.5	-45.5	179.5	-176.6	63.9	0	0	0	113.5	D329 D330 F331	D329-H333 WeakPolarHBondContact O-CB 3.29Å; D329-H333 PolarHBondContact O-N 2.83Å; D330-H333 WeakPolarHBondContact O-CB 3.33Å; D330-H333 PolarHBondContact O-N 2.93Å; D330-H333 VanDerWaalsContact O-N 3.1Å; F331-H333 PolarHBondContact O-N 3.17Å
334	Y	95.7	Very high	92.8	Very high	66 Å²	66	27.7 Å²	27.7	26%	0.259	14%	0.136	S	C	.	.	H	α-helix	trans	-91.5	-31.3	-171.7	-73.3	-71.9	0	0	0	113.9	I239 P251 L252 L254 W292 M326 D330 F331	I239-Y334 WeakPolarHBondContact CG2-O 3.4Å; P251-Y334 HydrophobicContact CB-CE1 4.36Å; P251-Y334 HydrophobicContact CG-CD1 3.95Å; P251-Y334 HydrophobicContact CG-CE1 3.96Å; L252-Y334 HydrophobicContact CD1-CE2 4.37Å; L254-Y334 HydrophobicContact CD1-CD1 4.49Å; L254-Y334 HydrophobicContact CD1-CG 4.15Å; W292-Y334 AromaticContact CH2-CD2 3.73Å; W292-Y334 HydrophobicContact CH2-CD2 3.73Å; W292-Y334 AromaticContact CH2-CE2 3.51Å; W292-Y334 HydrophobicContact CH2-CE2 3.51Å; W292-Y334 HydrophobicContact CZ3-CD2 4.07Å; W292-Y334 HydrophobicContact CZ3-CE2 4.15Å; W292-Y334 HydrophobicContact CZ3-CG 4.49Å; M326-Y334 HydrophobicContact CE-CD2 4.33Å; D330-Y334 HydrophobicContact CB-CD2 4.05Å; D330-Y334 HydrophobicContact CB-CE2 4.24Å; D330-Y334 VanDerWaalsContact O-CD2 3.23Å; D330-Y334 WeakPolarHBondContact O-CD2 2.98Å; D330-Y334 PolarHBondContact O-N 3.12Å; F331-Y334 PolarHBondContact O-N 3.49Å
335	F	96.3	Very high	91.2	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.018	15%	0.148	C	C	.	.			trans	-86.4	150.6	178.8	-74.5	-102.6	0	0	0	111.5	L213 C237 I239 L254 Y260 L282 M326 F331	L213-F335 VanDerWaalsContact CB-O 3.24Å; L213-F335 WeakPolarHBondContact CB-O 3.33Å; L213-F335 HydrophobicContact CD1-CB 3.44Å; L213-F335 VanDerWaalsContact CD1-CB 3.44Å; C237-F335 HydrophobicContact CB-CD1 3.85Å; C237-F335 HydrophobicContact CB-CE1 4.34Å; C237-F335 VanDerWaalsContact SG-CE1 3.53Å; I239-F335 HydrophobicContact CD1-CD1 4.31Å; I239-F335 HydrophobicContact CD1-CE1 4.11Å; I239-F335 HydrophobicContact CD1-CE2 4.41Å; I239-F335 HydrophobicContact CD1-CZ 4.15Å; I239-F335 HydrophobicContact CG1-CD1 3.62Å; I239-F335 HydrophobicContact CG1-CE1 3.77Å; I239-F335 HydrophobicContact CG1-CG 4.05Å; I239-F335 HydrophobicContact CG1-CZ 4.3Å; L254-F335 HydrophobicContact CD1-CE2 4.22Å; L254-F335 HydrophobicContact CD2-CE2 4.24Å; L254-F335 HydrophobicContact CD2-CZ 4.18Å; Y260-F335 AromaticContact CD2-CE1 3.73Å; Y260-F335 HydrophobicContact CD2-CE1 3.73Å; Y260-F335 HydrophobicContact CD2-CZ 4.24Å; Y260-F335 HydrophobicContact CE2-CE1 4.3Å; Y260-F335 HydrophobicContact CG-CE1 4.01Å; Y260-F335 HydrophobicContact CG-CZ 4.31Å; L282-F335 HydrophobicContact CD1-CD2 4.31Å; L282-F335 HydrophobicContact CD1-CE1 4.06Å; L282-F335 HydrophobicContact CD1-CE2 3.46Å; L282-F335 VanDerWaalsContact CD1-CE2 3.46Å; L282-F335 HydrophobicContact CD1-CZ 3.32Å; M326-F335 HydrophobicContact CE-CE2 4.36Å; M326-F335 HydrophobicContact SD-CD2 4.34Å; M326-F335 HydrophobicContact SD-CE2 3.78Å; F331-F335 HydrophobicContact CD2-CB 4.03Å; F331-F335 AromaticContact CD2-CD2 3.52Å; F331-F335 HydrophobicContact CD2-CD2 3.52Å; F331-F335 HydrophobicContact CD2-CE2 4.12Å; F331-F335 AromaticContact CD2-CG 3.76Å; F331-F335 HydrophobicContact CD2-CG 3.76Å; F331-F335 HydrophobicContact CE2-CB 3.85Å; F331-F335 HydrophobicContact CE2-CD1 4.2Å; F331-F335 AromaticContact CE2-CD2 3.99Å; F331-F335 HydrophobicContact CE2-CD2 3.99Å; F331-F335 AromaticContact CE2-CG 3.74Å; F331-F335 HydrophobicContact CE2-CG 3.74Å; F331-F335 WeakPolarHBondContact O-CB 3.47Å; F331-F335 PolarHBondContact O-N 3.49Å
336	S	95	Very high	89.5	Confident	34 Å²	34	35 Å²	35	24%	0.238	17%	0.174	C	C	.	.			trans	-98.8	-39.6	-176.3	-51.5	0	0	0	0	111.9	L213 S238 D240	L213-S336 PolarHBondContact N-O 3.33Å; S238-S336 PolarHBondContact O-N 3.14Å; D240-S336 PolarHBondContact N-OG 2.99Å
337	R	94.5	Very high	87.7	Confident	86 Å²	86	35.6 Å²	35.6	33%	0.325	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	142.6	-175.2	-59.1	179.3	-138.8	-159	-0.8	111.6	V211 C237 S238 D240	V211-R337 WeakPolarHBondContact O-CA 3.41Å; C237-R337 CarbonylContact C-O 3.33Å; C237-R337 WeakPolarHBondContact CA-O 3.45Å; C237-R337 VanDerWaalsContact CB-O 3.27Å; C237-R337 WeakPolarHBondContact CB-O 3.38Å; S238-R337 PolarHBondContact N-O 3.3Å; S238-R337 PolarHBondContact O-N 2.89Å; S238-R337 VanDerWaalsContact O-N 3.13Å; D240-R337 IonicContact OD1-CZ 3.36Å; D240-R337 IonicContact OD1-NE 3.68Å; D240-R337 PolarHBondContact OD1-NE 2.81Å; D240-R337 IonicContact OD1-NH2 2.63Å; D240-R337 PolarHBondContact OD1-NH2 3.44Å; D240-R337 IonicContact OD2-CZ 3.19Å; D240-R337 IonicContact OD2-NE 2.77Å; D240-R337 PolarHBondContact OD2-NE 2.9Å; D240-R337 IonicContact OD2-NH2 2.74Å; D240-R337 PolarHBondContact OD2-NH2 2.78Å
338	L	95.5	Very high	85.5	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.7	166.8	171.2	75.2	0	0	0	108.6	V211 L213 L221 M225 C237 V262 F331 L340	V211-L338 HydrophobicContact CB-CB 4.24Å; V211-L338 HydrophobicContact CB-CD2 4.48Å; V211-L338 PolarHBondContact N-O 2.92Å; V211-L338 PolarHBondContact O-N 3.19Å; L213-L338 HydrophobicContact CD1-CB 4.25Å; L213-L338 HydrophobicContact CD2-CB 4.11Å; L213-L338 HydrophobicContact CG-CB 4.27Å; L221-L338 HydrophobicContact CD1-CD2 3.79Å; M225-L338 HydrophobicContact CE-CD1 3.68Å; M225-L338 HydrophobicContact CE-CD2 4.03Å; M225-L338 HydrophobicContact CG-CD2 3.79Å; M225-L338 HydrophobicContact SD-CD1 4.37Å; M225-L338 HydrophobicContact SD-CD2 3.61Å; C237-L338 HydrophobicContact CB-CD1 4.49Å; V262-L338 HydrophobicContact CG2-CD1 4.17Å; F331-L338 HydrophobicContact CZ-CB 4.47Å; F331-L338 HydrophobicContact CZ-CD1 4.19Å; L338-L340 HydrophobicContact CD1-CD2 4.14Å; L338-L340 HydrophobicContact CD2-CD1 4.11Å; L338-L340 HydrophobicContact CD2-CD2 3.9Å; L338-L340 HydrophobicContact CD2-CG 3.99Å; L338-L340 HydrophobicContact CG-CD2 4Å; L338-L340 HydrophobicContact CG-CG 4.04Å
339	E	95	Very high	83.3	Confident	7 Å²	7	40.3 Å²	40.3	3%	0.033	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.5	179.7	-44.3	-173	-162	0	0	108.3	C195 T196 A197 M200 T208 L210 M235 A236	C195-E339 PolarHBondContact SG-OE2 3.24Å; C195-E339 VanDerWaalsContact SG-OE2 3.39Å; T196-E339 WeakPolarHBondContact CA-OE2 3.37Å; T196-E339 VanDerWaalsContact CB-OE2 3.24Å; T196-E339 WeakPolarHBondContact CB-OE2 3.09Å; T196-E339 PolarHBondContact N-OE2 3.31Å; A197-E339 WeakPolarHBondContact CB-OE2 3.46Å; A197-E339 PolarHBondContact N-OE2 3.29Å; M200-E339 HydrophobicContact CE-CB 3.66Å; T208-E339 HydrophobicContact CG2-CB 4.18Å; L210-E339 HydrophobicContact CD2-CB 4Å; L210-E339 HydrophobicContact CD2-CG 3.55Å; M235-E339 WeakPolarHBondContact CA-O 3.37Å; A236-E339 PolarHBondContact N-O 3.26Å; A236-E339 PolarHBondContact O-N 3.33Å
340	L	91.9	Very high	81.1	Confident	2 Å²	2	39.7 Å²	39.7	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	102.9	-175.8	-63.9	175.4	0	0	0	109.3	T208 E209 V211 I224 A228 M235 L338 H342	T208-L340 CarbonylContact C-O 3.4Å; T208-L340 WeakPolarHBondContact CA-O 3.29Å; E209-L340 PolarHBondContact N-O 3.14Å; E209-L340 PolarHBondContact O-N 2.91Å; V211-L340 HydrophobicContact CG2-CD1 4.24Å; I224-L340 HydrophobicContact CG2-CD1 3.95Å; A228-L340 HydrophobicContact CB-CD2 4.35Å; M235-L340 HydrophobicContact CB-CD2 4.3Å; M235-L340 HydrophobicContact CG-CD2 3.45Å; M235-L340 VanDerWaalsContact CG-CD2 3.45Å; M235-L340 HydrophobicContact SD-CD2 3.45Å; M235-L340 WeakPolarHBondContact SD-CD2 3.21Å; L338-L340 HydrophobicContact CD1-CD2 4.14Å; L338-L340 HydrophobicContact CD2-CD1 4.11Å; L338-L340 HydrophobicContact CD2-CD2 3.9Å; L338-L340 HydrophobicContact CD2-CG 3.99Å; L338-L340 HydrophobicContact CG-CD2 4Å; L338-L340 HydrophobicContact CG-CG 4.04Å; L340-H342 PolarHBondContact O-N 2.83Å
341	C	92	Very high	78.5	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	104.4	176.5	-164.7	0	0	0	0	110.4	M200 T208 S233 L234	M200-C341 HydrophobicContact CB-CB 3.65Å; M200-C341 HydrophobicContact CE-CB 4.16Å; M200-C341 HydrophobicContact CG-CB 4.28Å; M200-C341 HydrophobicContact SD-CB 3.79Å; T208-C341 HydrophobicContact CG2-CB 4.43Å; S233-C341 VanDerWaalsContact CA-O 3.27Å; S233-C341 WeakPolarHBondContact CA-O 3.36Å; S233-C341 VanDerWaalsContact CB-O 3.22Å; S233-C341 WeakPolarHBondContact CB-O 3.41Å; L234-C341 HydrophobicContact CB-CB 4.09Å; L234-C341 PolarHBondContact N-O 2.86Å; L234-C341 VanDerWaalsContact N-O 3.12Å; L234-C341 PolarHBondContact O-N 2.84Å
342	H	85	Confident	75.5	Confident	34 Å²	34	43.9 Å²	43.9	16%	0.157	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	129.6	175.1	-63.3	-42.3	0	0	0	110.2	G206 L207 E209 S233 L340 G344	G206-H342 CarbonylContact C-O 3.51Å; G206-H342 WeakPolarHBondContact CA-O 3.26Å; L207-H342 PolarHBondContact N-O 3.05Å; L207-H342 PolarHBondContact O-N 2.88Å; E209-H342 IonicContact OE1-CD2 3.97Å; E209-H342 IonicContact OE1-NE2 2.76Å; S233-H342 PolarHBondContact OG-ND1 3.31Å; L340-H342 PolarHBondContact O-N 2.83Å; H342-G344 PolarHBondContact O-N 3.45Å
343	L	78.4	Confident	72.9	Confident	23 Å²	23	44.4 Å²	44.4	12%	0.12	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-70.5	129.3	177.4	-60.1	178	0	0	0	109.9	L112 T204 A232	L112-L343 HydrophobicContact CD1-CD1 3.59Å; L112-L343 HydrophobicContact CD1-CD2 3.84Å; L112-L343 HydrophobicContact CD1-CG 4.34Å; L112-L343 HydrophobicContact CD2-CD1 4.14Å; L112-L343 HydrophobicContact CD2-CD2 4.23Å; L112-L343 HydrophobicContact CG-CD1 4.43Å; T204-L343 HydrophobicContact CG2-CD2 4.01Å; A232-L343 HydrophobicContact CB-CD1 4.01Å; A232-L343 WeakPolarHBondContact O-CD1 3.29Å
344	G	67.7	Low	70.2	Confident	6 Å²	6	44.5 Å²	44.5	6%	0.062	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-67.2	169.1	174	0	0	0	0	0	112.2	H342 E346 S347 I348	H342-G344 PolarHBondContact O-N 3.45Å; G344-E346 PolarHBondContact O-N 3.25Å; G344-E346 VanDerWaalsContact O-N 3.14Å; G344-S347 PolarHBondContact O-N 2.77Å; G344-I348 PolarHBondContact O-N 2.91Å
345	P	61.1	Low	67.4	Low	38 Å²	38	44.1 Å²	44.1	25%	0.247	27%	0.267	C	S	.	.	H	α-helix	trans	-55	-34.7	-178.7	-3.6	5.1	0	0	0	113.1	S347 I348 W364 M366	P345-S347 PolarHBondContact O-N 2.85Å; P345-I348 PolarHBondContact O-N 2.97Å; P345-W364 WeakPolarHBondContact CG-O 3.29Å; P345-M366 HydrophobicContact CG-CB 4.04Å
346	E	60.8	Low	64.6	Low	121 Å²	121	48.8 Å²	48.8	57%	0.565	29%	0.292	S	S	*	.	H	α-helix	trans	-61.1	-30.4	176.8	-59.9	-174.1	-178.9	0	0	113.1	G344	G344-E346 PolarHBondContact O-N 3.25Å; G344-E346 VanDerWaalsContact O-N 3.14Å
347	S	56.9	Low	61.8	Low	12 Å²	12	58.4 Å²	58.4	8%	0.084	32%	0.323	C	S	.	.	H	α-helix	trans	-92.9	-13.2	-177.6	-60.5	0	0	0	0	112.6	T204 G344 P345 A349 Y350	T204-S347 PolarHBondContact O-OG 2.78Å; T204-S347 VanDerWaalsContact O-OG 3.05Å; G344-S347 PolarHBondContact O-N 2.77Å; P345-S347 PolarHBondContact O-N 2.85Å; S347-A349 PolarHBondContact O-N 2.8Å; S347-Y350 PolarHBondContact O-N 3.22Å
348	I	51.3	Low	58.7	Low	49 Å²	49	65.9 Å²	65.9	25%	0.251	35%	0.351	S	S	.	.	H	α-helix	trans	-67	-24.7	179	-66	176.4	0	0	0	112.2	G344 P345 Y350 S351	G344-I348 PolarHBondContact O-N 2.91Å; P345-I348 PolarHBondContact O-N 2.97Å; I348-Y350 PolarHBondContact O-N 2.85Å; I348-S351 PolarHBondContact O-N 2.82Å
349	A	50.7	Low	55.8	Low	71 Å²	71	68.7 Å²	68.7	59%	0.587	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-20	173.6	0	0	0	0	0	112.9	S347	S347-A349 PolarHBondContact O-N 2.8Å
350	Y	48.5	Very low	53	Low	83 Å²	83	76.9 Å²	76.9	33%	0.325	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	14.3	-171.2	-57.1	-72.2	0	0	0	115.3	E111 Q115 S347 I348 P352	E111-Y350 HydrophobicContact CB-CD1 4.08Å; E111-Y350 HydrophobicContact CB-CG 4.27Å; E111-Y350 VanDerWaalsContact OE2-C 3.23Å; E111-Y350 WeakPolarHBondContact OE2-CA 3.43Å; E111-Y350 VanDerWaalsContact OE2-CB 3.29Å; E111-Y350 WeakPolarHBondContact OE2-CB 3.36Å; Q115-Y350 VanDerWaalsContact NE2-CZ 3.33Å; Q115-Y350 PolarHBondContact NE2-OH 3.43Å; S347-Y350 PolarHBondContact O-N 3.22Å; I348-Y350 PolarHBondContact O-N 2.85Å; Y350-P352 VanDerWaalsContact O-CD 3.25Å; Y350-P352 WeakPolarHBondContact O-CD 3.15Å
351	S	42.4	Very low	50.6	Low	34 Å²	34	84.2 Å²	84.2	24%	0.238	45%	0.446	C	S	.	.			trans	-73.9	115.7	176.6	-77.3	0	0	0	0	111.5	I348 G353 N356	I348-S351 PolarHBondContact O-N 2.82Å; S351-G353 PolarHBondContact O-N 3.04Å; S351-N356 PolarHBondContact O-ND2 2.71Å; S351-N356 VanDerWaalsContact O-ND2 3.17Å
352	P	35.7	Very low	48.7	Very low	90 Å²	90	90.3 Å²	90.3	58%	0.584	47%	0.469	S	S	*	.			trans	-84.8	101.9	-179.9	30.2	-23.2	0	0	0	109.3	Y350	Y350-P352 VanDerWaalsContact O-CD 3.25Å; Y350-P352 WeakPolarHBondContact O-CD 3.15Å
353	G	41.5	Very low	47.3	Very low	38 Å²	38	94.6 Å²	94.6	39%	0.392	49%	0.489	S	S	.	.	S	Bend	trans	-172.1	155.6	170.4	0	0	0	0	0	112.4	S351 A355 N356	S351-G353 PolarHBondContact O-N 3.04Å; G353-A355 PolarHBondContact O-N 3.29Å; G353-N356 PolarHBondContact O-N 3Å; G353-N356 VanDerWaalsContact O-N 3.14Å
354	P	37.6	Very low	46.8	Very low	137 Å²	137	97.6 Å²	97.6	89%	0.89	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-60.8	-5.4	177.7	24.2	-32.3	0	0	0	113.8	N356	P354-N356 VanDerWaalsContact C-N 3.25Å; P354-N356 PolarHBondContact O-N 3.47Å
355	A	38.6	Very low	47.3	Very low	58 Å²	58	101.3 Å²	101.3	48%	0.479	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-66.4	-20.8	172.5	0	0	0	0	0	114	G353 R357 R358 C359	G353-A355 PolarHBondContact O-N 3.29Å; A355-R357 PolarHBondContact O-N 3.19Å; A355-R357 VanDerWaalsContact O-N 3.12Å; A355-R358 PolarHBondContact O-N 2.83Å; A355-C359 PolarHBondContact O-N 3.06Å
356	N	37.3	Very low	48.3	Very low	101 Å²	101	102 Å²	102	54%	0.54	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-73.1	0.4	-179.2	-106.9	-10.7	0	0	0	114.7	S351 G353 P354	S351-N356 PolarHBondContact O-ND2 2.71Å; S351-N356 VanDerWaalsContact O-ND2 3.17Å; G353-N356 PolarHBondContact O-N 3Å; G353-N356 VanDerWaalsContact O-N 3.14Å; P354-N356 VanDerWaalsContact C-N 3.25Å; P354-N356 PolarHBondContact O-N 3.47Å
357	R	34.6	Very low	49.6	Very low	236 Å²	236	98.1 Å²	98.1	89%	0.891	50%	0.5	S	S	*	.	G	3₁₀ helix	trans	-108.1	-8.1	175.4	-77.5	-171.1	-176.5	-179.6	2.8	116.4	A355	A355-R357 PolarHBondContact O-N 3.19Å; A355-R357 VanDerWaalsContact O-N 3.12Å
358	R	31.1	Very low	51.2	Low	244 Å²	244	99.9 Å²	99.9	92%	0.921	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-155.6	16.9	-175.1	-79.4	-162.2	177.7	167.1	-1.5	117.4	A355 N360	A355-R358 PolarHBondContact O-N 2.83Å; R358-N360 PolarHBondContact O-N 2.76Å
359	C	33.7	Very low	53.2	Low	59 Å²	59	99.4 Å²	99.4	40%	0.399	51%	0.508	S	S	.	.			trans	-94.5	100.3	175.8	-79.9	0	0	0	0	111.2	A355 K361	A355-C359 PolarHBondContact O-N 3.06Å; C359-K361 HydrophobicContact CB-CB 3.93Å; C359-K361 HydrophobicContact CB-CD 3.8Å; C359-K361 HydrophobicContact CB-CG 3.66Å; C359-K361 PolarHBondContact O-N 3.48Å; C359-K361 VanDerWaalsContact SG-CD 3.57Å; C359-K361 WeakPolarHBondContact SG-CE 3.25Å
360	N	35.4	Very low	55.3	Low	178 Å²	178	101.7 Å²	101.7	95%	0.952	51%	0.507	S	S	*	.			trans	-62.1	42	152.5	-80.6	-8.7	0	0	0	110.8	R358	R358-N360 PolarHBondContact O-N 2.76Å
361	K	42.5	Very low	57.4	Low	157 Å²	157	98.5 Å²	98.5	68%	0.683	50%	0.499	S	S	*	.			trans	-89.7	124	-176.7	-75.9	-177.2	-179.8	177.3	0	108	C359 Q363	C359-K361 HydrophobicContact CB-CB 3.93Å; C359-K361 HydrophobicContact CB-CD 3.8Å; C359-K361 HydrophobicContact CB-CG 3.66Å; C359-K361 PolarHBondContact O-N 3.48Å; C359-K361 VanDerWaalsContact SG-CD 3.57Å; C359-K361 WeakPolarHBondContact SG-CE 3.25Å; K361-Q363 PolarHBondContact O-N 2.65Å; K361-Q363 VanDerWaalsContact O-N 3.12Å
362	R	52	Low	60	Low	128 Å²	128	99.6 Å²	99.6	48%	0.483	50%	0.5	S	S	.	.			trans	-38.2	112.8	177.8	-61.9	179.7	-176.6	164.7	8.8	110.1	D403	R362-D403 IonicContact CZ-OD2 3.17Å; R362-D403 IonicContact NH2-OD2 3.69Å; R362-D403 PolarHBondContact NH2-OD2 3.15Å
363	Q	56.6	Low	62.9	Low	124 Å²	124	95.4 Å²	95.4	58%	0.579	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-75.8	140.3	170.6	-82.4	179.4	-24.7	0	0	108.1	K361	K361-Q363 PolarHBondContact O-N 2.65Å; K361-Q363 VanDerWaalsContact O-N 3.12Å
364	W	67.9	Low	65.4	Low	85 Å²	85	94.7 Å²	94.7	32%	0.322	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-68.9	137.4	166.1	-71.9	93.4	0	0	0	108.3	P345 T412 V414 F503 S504 E505	P345-W364 WeakPolarHBondContact CG-O 3.29Å; W364-T412 HydrophobicContact CH2-CG2 3.75Å; W364-T412 HydrophobicContact CZ3-CG2 4.36Å; W364-V414 HydrophobicContact CH2-CG2 4.05Å; W364-V414 HydrophobicContact CZ3-CG2 4Å; W364-F503 HydrophobicContact CE3-CB 3.91Å; W364-F503 HydrophobicContact CZ3-CB 4.4Å; W364-S504 WeakPolarHBondContact CA-O 3.34Å; W364-E505 HydrophobicContact CE3-CG 4.33Å; W364-E505 HydrophobicContact CH2-CG 3.85Å; W364-E505 HydrophobicContact CZ2-CG 4.34Å; W364-E505 HydrophobicContact CZ3-CG 3.85Å
365	E	76.6	Confident	68.1	Low	85 Å²	85	94.3 Å²	94.3	40%	0.397	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	140.3	169.3	-67.1	-76	172.1	0	0	107.1	F503 S504 A507	E365-F503 VanDerWaalsContact O-CA 3.27Å; E365-F503 WeakPolarHBondContact O-CA 3.22Å; E365-S504 PolarHBondContact N-O 3.42Å; E365-S504 PolarHBondContact O-N 3.05Å; E365-A507 HydrophobicContact CG-CB 4.09Å
366	M	83.5	Confident	70.6	Confident	51 Å²	51	92.6 Å²	92.6	25%	0.251	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.3	-176.6	-179.1	-174	68.2	0	0	109.2	P345 I502 F503	P345-M366 HydrophobicContact CG-CB 4.04Å; M366-I502 WeakPolarHBondContact CA-O 3.44Å; M366-F503 HydrophobicContact CB-CD1 3.87Å; M366-F503 HydrophobicContact CB-CE1 3.78Å; M366-F503 HydrophobicContact CB-CZ 4.38Å; M366-F503 HydrophobicContact CG-CD1 4Å; M366-F503 HydrophobicContact CG-CE1 3.59Å; M366-F503 HydrophobicContact CG-CE2 4.14Å; M366-F503 HydrophobicContact CG-CG 4.46Å; M366-F503 HydrophobicContact CG-CZ 3.67Å; M366-F503 HydrophobicContact SD-CE1 3.54Å; M366-F503 VanDerWaalsContact SD-CE1 3.54Å; M366-F503 HydrophobicContact SD-CE2 4.25Å; M366-F503 HydrophobicContact SD-CZ 3.38Å; M366-F503 WeakPolarHBondContact SD-CZ 3.23Å
367	V	87.9	Confident	73.3	Confident	40 Å²	40	87.9 Å²	87.9	24%	0.242	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.4	164.7	-165.8	0	0	0	0	109.4	I502 C508 S510	V367-I502 PolarHBondContact N-O 3.01Å; V367-I502 PolarHBondContact O-N 2.83Å; V367-C508 WeakPolarHBondContact CG2-O 3.25Å; V367-S510 WeakPolarHBondContact CB-OG 3.27Å; V367-S510 WeakPolarHBondContact CG1-OG 3.45Å
368	C	90.2	Very high	76.2	Confident	49 Å²	49	77 Å²	77	33%	0.331	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.6	176.9	-72.9	0	0	0	0	108.9	L500	C368-L500 WeakPolarHBondContact CA-O 3.39Å
369	E	93.2	Very high	79.3	Confident	39 Å²	39	65.3 Å²	65.3	18%	0.182	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	139.5	175.6	-60.7	-71.8	-176	0	0	109.5	F395 M499 L500 S510	E369-F395 HydrophobicContact CB-CD1 3.72Å; E369-F395 HydrophobicContact CB-CE1 3.46Å; E369-F395 VanDerWaalsContact CB-CE1 3.46Å; E369-F395 HydrophobicContact CB-CZ 4.19Å; E369-F395 HydrophobicContact CG-CD1 3.7Å; E369-F395 HydrophobicContact CG-CE1 3.93Å; E369-M499 CarbonylContact O-C 3.59Å; E369-M499 WeakPolarHBondContact O-CA 3.46Å; E369-L500 HydrophobicContact CB-CB 4.32Å; E369-L500 PolarHBondContact N-O 3.18Å; E369-L500 PolarHBondContact O-N 2.73Å; E369-S510 WeakPolarHBondContact OE1-CB 3.46Å; E369-S510 PolarHBondContact OE1-OG 3.06Å
370	E	93.9	Very high	82.4	Confident	120 Å²	120	62.5 Å²	62.5	56%	0.561	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	143.9	173.9	-58.1	-157	149.6	0	0	110.6	K420	E370-K420 IonicContact OE1-NZ 2.68Å; E370-K420 PolarHBondContact OE1-NZ 3.11Å; E370-K420 IonicContact OE2-NZ 2.71Å
371	G	94.2	Very high	85.4	Confident	15 Å²	15	54 Å²	54	16%	0.155	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	177.1	174.9	0	0	0	0	0	113.1	K497 F498	G371-K497 CarbonylContact O-C 3.58Å; G371-K497 WeakPolarHBondContact O-CA 3.3Å; G371-F498 VanDerWaalsContact C-CE1 3.41Å; G371-F498 PolarHBondContact N-O 3.43Å; G371-F498 PolarHBondContact O-N 3.2Å
372	E	95.8	Very high	88	Confident	58 Å²	58	46.7 Å²	46.7	27%	0.271	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	139.2	177.5	61.1	-176.6	170.3	0	0	112.1	L374 T378 A496 K497 F498 K647	E372-L374 HydrophobicContact CG-CD1 3.86Å; E372-L374 HydrophobicContact CG-CD2 4.47Å; E372-L374 HydrophobicContact CG-CG 3.93Å; E372-L374 WeakPolarHBondContact OE1-CD1 3.35Å; E372-T378 PolarHBondContact O-OG1 3.36Å; E372-A496 WeakPolarHBondContact CA-O 3.24Å; E372-K497 HydrophobicContact CB-CG 4.16Å; E372-F498 VanDerWaalsContact N-CE1 3.33Å; E372-K647 IonicContact OE1-NZ 2.84Å; E372-K647 PolarHBondContact OE1-NZ 3.17Å; E372-K647 IonicContact OE2-NZ 3.75Å; E372-K647 PolarHBondContact OE2-NZ 3.13Å
373	W	96.6	Very high	90.1	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	119.6	165	-56.3	-63.5	0	0	0	108.3	A379 L417 Q419 I432 P487 T489 E494 E495 A496 F498	W373-A379 HydrophobicContact CB-CB 3.93Å; W373-L417 HydrophobicContact CH2-CD1 4.18Å; W373-L417 HydrophobicContact CH2-CD2 4.21Å; W373-L417 HydrophobicContact CH2-CG 4.4Å; W373-L417 HydrophobicContact CZ2-CD1 4.22Å; W373-L417 HydrophobicContact CZ2-CD2 4.11Å; W373-Q419 HydrophobicContact CZ3-CB 4.47Å; W373-I432 HydrophobicContact CH2-CB 4.38Å; W373-I432 HydrophobicContact CH2-CG2 3.73Å; W373-I432 HydrophobicContact CZ3-CG2 3.89Å; W373-P487 HydrophobicContact CZ2-CB 4.14Å; W373-P487 PolarHBondContact NE1-O 3.29Å; W373-T489 HydrophobicContact CD2-CG2 3.93Å; W373-T489 HydrophobicContact CE3-CG2 3.67Å; W373-T489 HydrophobicContact CG-CG2 4.46Å; W373-T489 HydrophobicContact CZ3-CG2 3.98Å; W373-E494 WeakPolarHBondContact CB-O 3.32Å; W373-E495 VanDerWaalsContact O-CA 3.3Å; W373-E495 WeakPolarHBondContact O-CA 3.29Å; W373-A496 HydrophobicContact CE3-CB 3.94Å; W373-A496 HydrophobicContact CZ3-CB 4.18Å; W373-A496 PolarHBondContact N-O 3.32Å; W373-A496 PolarHBondContact O-N 3.2Å; W373-F498 AromaticContact CD2-CD1 3.63Å; W373-F498 HydrophobicContact CD2-CD1 3.63Å; W373-F498 AromaticContact CD2-CE1 3.94Å; W373-F498 HydrophobicContact CD2-CE1 3.94Å; W373-F498 AromaticContact CE2-CD1 3.46Å; W373-F498 VanDerWaalsContact CE2-CD1 3.46Å; W373-F498 AromaticContact CE2-CE1 3.58Å; W373-F498 AromaticContact CE3-CD1 3.83Å; W373-F498 HydrophobicContact CE3-CD1 3.83Å; W373-F498 HydrophobicContact CG-CD1 4.31Å; W373-F498 HydrophobicContact CG-CE1 4.23Å; W373-F498 HydrophobicContact CH2-CB 3.8Å; W373-F498 AromaticContact CH2-CD1 3.78Å; W373-F498 HydrophobicContact CH2-CD1 3.78Å; W373-F498 AromaticContact CH2-CG 3.94Å; W373-F498 HydrophobicContact CH2-CG 3.94Å; W373-F498 HydrophobicContact CZ2-CB 4.34Å; W373-F498 AromaticContact CZ2-CD1 3.56Å; W373-F498 HydrophobicContact CZ2-CD1 3.56Å; W373-F498 AromaticContact CZ2-CE1 3.97Å; W373-F498 HydrophobicContact CZ2-CE1 3.97Å; W373-F498 AromaticContact CZ2-CG 3.96Å; W373-F498 HydrophobicContact CZ2-CG 3.96Å; W373-F498 HydrophobicContact CZ3-CB 3.95Å; W373-F498 AromaticContact CZ3-CD1 3.91Å; W373-F498 HydrophobicContact CZ3-CD1 3.91Å; W373-F498 HydrophobicContact CZ3-CG 4.28Å; W373-F498 AromaticContact NE1-CE1 3.62Å
374	L	94.5	Very high	92	Very high	23 Å²	23	42.6 Å²	42.6	12%	0.12	21%	0.212	C	C	.	.			trans	-116.6	133.5	-179.7	-67.2	161.6	0	0	0	109.8	E372 N376 S377 T378 A379 K647	E372-L374 HydrophobicContact CG-CD1 3.86Å; E372-L374 HydrophobicContact CG-CD2 4.47Å; E372-L374 HydrophobicContact CG-CG 3.93Å; E372-L374 WeakPolarHBondContact OE1-CD1 3.35Å; L374-N376 PolarHBondContact O-N 2.83Å; L374-S377 PolarHBondContact O-N 2.76Å; L374-S377 VanDerWaalsContact O-N 3.11Å; L374-T378 PolarHBondContact N-OG1 2.87Å; L374-T378 PolarHBondContact O-N 2.85Å; L374-A379 WeakPolarHBondContact O-CB 3.3Å; L374-A379 PolarHBondContact O-N 2.77Å; L374-K647 HydrophobicContact CD1-CB 3.97Å; L374-K647 HydrophobicContact CD1-CD 3.34Å; L374-K647 HydrophobicContact CD1-CG 3.57Å
375	R	93.7	Very high	93.3	Very high	129 Å²	129	41.7 Å²	41.7	49%	0.487	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	138.4	178	178.6	178.1	-68.9	-129.9	-4.1	109.6	S377 N493 E495	R375-S377 PolarHBondContact O-N 2.81Å; R375-N493 HydrophobicContact CG-CB 4.1Å; R375-E495 VanDerWaalsContact CB-CD 3.49Å; R375-E495 HydrophobicContact CB-CG 3.74Å; R375-E495 VanDerWaalsContact CB-OE1 3.22Å; R375-E495 WeakPolarHBondContact CB-OE1 3.45Å; R375-E495 PolarHBondContact N-OE1 3.43Å
376	N	92.3	Very high	94.2	Very high	22 Å²	22	40.9 Å²	40.9	12%	0.118	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	8.9	178.3	-56.6	-29.4	0	0	0	115.1	L374 N493 A627 A654 G658	L374-N376 PolarHBondContact O-N 2.83Å; N376-N493 PolarHBondContact N-OD1 2.68Å; N376-N493 PolarHBondContact OD1-OD1 3.27Å; N376-A627 HydrophobicContact CB-CB 3.68Å; N376-A627 WeakPolarHBondContact O-CB 3.43Å; N376-A654 HydrophobicContact CB-CB 4.49Å; N376-G658 VanDerWaalsContact CG-CA 3.5Å; N376-G658 VanDerWaalsContact ND2-CA 3.29Å; N376-G658 WeakPolarHBondContact ND2-CA 2.97Å
377	S	93.2	Very high	94.6	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.014	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.2	-85.8	-178.8	176.7	0	0	0	0	110.9	L374 R375 M391 F628 F646	L374-S377 PolarHBondContact O-N 2.76Å; L374-S377 VanDerWaalsContact O-N 3.11Å; R375-S377 PolarHBondContact O-N 2.81Å; S377-M391 WeakPolarHBondContact O-CB 3.4Å; S377-M391 WeakPolarHBondContact O-CE 3.48Å; S377-F628 WeakPolarHBondContact O-CD1 3.15Å; S377-F628 VanDerWaalsContact O-CE1 3.29Å; S377-F628 WeakPolarHBondContact O-CE1 3.45Å; S377-F646 WeakPolarHBondContact OG-CD1 3.24Å
378	T	95.6	Very high	95	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.043	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-5.5	-174.3	53.7	0	0	0	0	113.6	E372 L374 G380 M391 N392	E372-T378 PolarHBondContact O-OG1 3.36Å; L374-T378 PolarHBondContact N-OG1 2.87Å; L374-T378 PolarHBondContact O-N 2.85Å; T378-G380 VanDerWaalsContact C-N 3.25Å; T378-G380 PolarHBondContact O-N 3.29Å; T378-M391 WeakPolarHBondContact CA-O 3.45Å; T378-N392 WeakPolarHBondContact O-CA 3.5Å; T378-N392 PolarHBondContact O-OD1 2.84Å
379	A	96.9	Very high	95.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.			trans	-80.5	67.7	176.8	0	0	0	0	0	111.6	W373 L374 G381 P492 N493 E494 F628	W373-A379 HydrophobicContact CB-CB 3.93Å; L374-A379 WeakPolarHBondContact O-CB 3.3Å; L374-A379 PolarHBondContact O-N 2.77Å; A379-G381 PolarHBondContact O-N 2.74Å; A379-P492 CarbonylContact O-C 3.57Å; A379-P492 VanDerWaalsContact O-CA 3.29Å; A379-P492 WeakPolarHBondContact O-CA 3.31Å; A379-N493 PolarHBondContact O-N 3.23Å; A379-E494 WeakPolarHBondContact CB-O 3.31Å; A379-F628 VanDerWaalsContact O-CZ 3.3Å; A379-F628 WeakPolarHBondContact O-CZ 3.22Å
380	G	97.3	Very high	95.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.			trans	-77.8	-14.9	-170.9	0	0	0	0	0	115.6	T378 T388 F389 N392	T378-G380 VanDerWaalsContact C-N 3.25Å; T378-G380 PolarHBondContact O-N 3.29Å; G380-T388 VanDerWaalsContact CA-O 3.26Å; G380-T388 WeakPolarHBondContact CA-O 3.48Å; G380-T388 CarbonylContact O-C 3.52Å; G380-T388 VanDerWaalsContact O-CB 3.29Å; G380-T388 WeakPolarHBondContact O-CB 3.49Å; G380-T388 PolarHBondContact O-OG1 2.81Å; G380-F389 PolarHBondContact O-N 2.73Å; G380-N392 PolarHBondContact N-OD1 2.85Å
381	G	98.1	Very high	95.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.			trans	72.3	-176.8	-173.7	0	0	0	0	0	112.7	A379 F389 N392 T489	A379-G381 PolarHBondContact O-N 2.74Å; G381-F389 WeakPolarHBondContact O-CD2 3.24Å; G381-N392 PolarHBondContact O-ND2 3.4Å; G381-T489 CarbonylContact C-O 3.56Å; G381-T489 VanDerWaalsContact CA-O 3.29Å; G381-T489 WeakPolarHBondContact CA-O 3.32Å
382	C	97.7	Very high	95.7	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.014	16%	0.162	C	C	.	.			trans	-81.1	-178.3	-176.6	72.5	0	0	0	0	113.5	N384 F385 F389 F466 T489 F490	C382-N384 PolarHBondContact O-N 3.4Å; C382-F385 PolarHBondContact O-N 2.98Å; C382-F389 VanDerWaalsContact C-CD2 3.42Å; C382-F466 HydrophobicContact CB-CE1 3.7Å; C382-F466 HydrophobicContact CB-CE2 4.35Å; C382-F466 HydrophobicContact CB-CZ 3.6Å; C382-T489 PolarHBondContact N-O 3.42Å; C382-F490 PolarHBondContact N-O 2.92Å; C382-F490 PolarHBondContact SG-O 2.87Å
383	T	96	Very high	95.8	Very high	61 Å²	61	29.3 Å²	29.3	37%	0.374	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-14.3	-177.8	53.8	0	0	0	0	114.6	F385 F389	T383-F385 PolarHBondContact O-N 3.22Å; T383-F389 HydrophobicContact CG2-CD1 4.39Å; T383-F389 HydrophobicContact CG2-CD2 4.05Å; T383-F389 HydrophobicContact CG2-CE1 4.03Å; T383-F389 HydrophobicContact CG2-CE2 3.68Å; T383-F389 HydrophobicContact CG2-CG 4.4Å; T383-F389 HydrophobicContact CG2-CZ 3.66Å
384	N	96.3	Very high	95.8	Very high	106 Å²	106	29.3 Å²	29.3	57%	0.567	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-15.9	172.1	-63.2	-17.7	0	0	0	112.6	C382 P386	C382-N384 PolarHBondContact O-N 3.4Å; N384-P386 WeakPolarHBondContact O-CD 3.42Å
385	F	96.9	Very high	95.9	Very high	66 Å²	66	28.2 Å²	28.2	29%	0.289	14%	0.144	S	C	.	.			trans	-114.2	68.5	179.7	-56.5	-85.6	0	0	0	110.7	C382 T383 N387 T388 F389 F490 P492	C382-F385 PolarHBondContact O-N 2.98Å; T383-F385 PolarHBondContact O-N 3.22Å; F385-N387 PolarHBondContact O-N 3.08Å; F385-T388 WeakPolarHBondContact CB-OG1 3.28Å; F385-T388 PolarHBondContact O-N 2.8Å; F385-T388 PolarHBondContact O-OG1 3.35Å; F385-F389 WeakPolarHBondContact O-CB 3.35Å; F385-F389 PolarHBondContact O-N 2.86Å; F385-F490 VanDerWaalsContact CE2-O 3.25Å; F385-F490 WeakPolarHBondContact CE2-O 3.46Å; F385-P492 HydrophobicContact CD1-CG 4.02Å; F385-P492 HydrophobicContact CE1-CG 4.18Å; F385-P492 HydrophobicContact CG-CG 4.25Å
386	P	94.6	Very high	95.9	Very high	67 Å²	67	22.7 Å²	22.7	44%	0.435	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-19.1	-172.8	26.9	-36.7	0	0	0	114	N384 T388	N384-P386 WeakPolarHBondContact O-CD 3.42Å; P386-T388 VanDerWaalsContact C-N 3.26Å; P386-T388 PolarHBondContact O-N 3.4Å
387	N	92.8	Very high	96	Very high	91 Å²	91	21.7 Å²	21.7	49%	0.487	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-15.7	176.5	-66.5	-19.9	0	0	0	113.3	F385 Y390 R451	F385-N387 PolarHBondContact O-N 3.08Å; N387-Y390 WeakPolarHBondContact O-CE1 3.36Å; N387-R451 PolarHBondContact OD1-NH1 3.06Å; N387-R451 PolarHBondContact OD1-NH2 3.01Å
388	T	95.9	Very high	95.8	Very high	18 Å²	18	25.6 Å²	25.6	11%	0.11	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.8	-22	-173.8	52.5	0	0	0	0	112.8	G380 F385 P386 Y390 M391 F628	G380-T388 VanDerWaalsContact CA-O 3.26Å; G380-T388 WeakPolarHBondContact CA-O 3.48Å; G380-T388 CarbonylContact O-C 3.52Å; G380-T388 VanDerWaalsContact O-CB 3.29Å; G380-T388 WeakPolarHBondContact O-CB 3.49Å; G380-T388 PolarHBondContact O-OG1 2.81Å; F385-T388 WeakPolarHBondContact CB-OG1 3.28Å; F385-T388 PolarHBondContact O-N 2.8Å; F385-T388 PolarHBondContact O-OG1 3.35Å; P386-T388 VanDerWaalsContact C-N 3.26Å; P386-T388 PolarHBondContact O-N 3.4Å; T388-Y390 VanDerWaalsContact C-N 3.26Å; T388-Y390 PolarHBondContact O-N 3.24Å; T388-Y390 VanDerWaalsContact O-N 3.1Å; T388-M391 VanDerWaalsContact O-CB 3.23Å; T388-M391 WeakPolarHBondContact O-CB 3.31Å; T388-M391 PolarHBondContact O-N 3.41Å; T388-F628 HydrophobicContact CG2-CB 3.88Å; T388-F628 HydrophobicContact CG2-CD1 4.21Å; T388-F628 HydrophobicContact CG2-CD2 3.46Å; T388-F628 VanDerWaalsContact CG2-CD2 3.46Å; T388-F628 HydrophobicContact CG2-CE2 3.96Å; T388-F628 HydrophobicContact CG2-CG 3.59Å
389	F	97.5	Very high	95.6	Very high	5 Å²	5	25.6 Å²	25.6	2%	0.022	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-50	-40.5	-177.7	175.8	-103.3	0	0	0	114.4	G380 G381 C382 T383 F385 M391 N392 F437 F454 I486	G380-F389 PolarHBondContact O-N 2.73Å; G381-F389 WeakPolarHBondContact O-CD2 3.24Å; C382-F389 VanDerWaalsContact C-CD2 3.42Å; T383-F389 HydrophobicContact CG2-CD1 4.39Å; T383-F389 HydrophobicContact CG2-CD2 4.05Å; T383-F389 HydrophobicContact CG2-CE1 4.03Å; T383-F389 HydrophobicContact CG2-CE2 3.68Å; T383-F389 HydrophobicContact CG2-CG 4.4Å; T383-F389 HydrophobicContact CG2-CZ 3.66Å; F385-F389 WeakPolarHBondContact O-CB 3.35Å; F385-F389 PolarHBondContact O-N 2.86Å; F389-M391 PolarHBondContact O-N 2.68Å; F389-M391 VanDerWaalsContact O-N 3.15Å; F389-N392 PolarHBondContact O-N 2.74Å; F389-N392 PolarHBondContact O-ND2 2.88Å; F389-F437 AromaticContact CE1-CE2 3.95Å; F389-F437 HydrophobicContact CE1-CE2 3.95Å; F389-F437 HydrophobicContact CE1-CZ 4.01Å; F389-F437 AromaticContact CZ-CE2 3.93Å; F389-F437 HydrophobicContact CZ-CE2 3.93Å; F389-F437 HydrophobicContact CZ-CZ 4.26Å; F389-F454 HydrophobicContact CD1-CB 4.19Å; F389-F454 HydrophobicContact CD1-CD1 4.12Å; F389-F454 HydrophobicContact CD1-CD2 4.48Å; F389-F454 HydrophobicContact CD1-CG 4Å; F389-F454 HydrophobicContact CE1-CB 4.4Å; F389-F454 AromaticContact CE1-CD1 3.59Å; F389-F454 HydrophobicContact CE1-CD1 3.59Å; F389-F454 AromaticContact CE1-CE1 3.97Å; F389-F454 HydrophobicContact CE1-CE1 3.97Å; F389-F454 AromaticContact CE1-CG 3.97Å; F389-F454 HydrophobicContact CE1-CG 3.97Å; F389-I486 HydrophobicContact CE1-CB 4.5Å; F389-I486 HydrophobicContact CE1-CG1 4.34Å; F389-I486 HydrophobicContact CE1-CG2 4.18Å; F389-I486 HydrophobicContact CE2-CB 4.34Å; F389-I486 HydrophobicContact CE2-CG2 3.76Å; F389-I486 HydrophobicContact CZ-CB 3.78Å; F389-I486 HydrophobicContact CZ-CG1 4.04Å; F389-I486 HydrophobicContact CZ-CG2 3.54Å
390	Y	95.3	Very high	95	Very high	9 Å²	9	28.3 Å²	28.3	4%	0.035	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-68.3	-11	-178.9	68.8	-86.1	0	0	0	113.8	N387 T388 Q394 R451 F454 F628 N632	N387-Y390 WeakPolarHBondContact O-CE1 3.36Å; T388-Y390 VanDerWaalsContact C-N 3.26Å; T388-Y390 PolarHBondContact O-N 3.24Å; T388-Y390 VanDerWaalsContact O-N 3.1Å; Y390-Q394 PolarHBondContact O-NE2 3.21Å; Y390-R451 HydrophobicContact CD1-CB 3.51Å; Y390-R451 HydrophobicContact CD1-CG 3.8Å; Y390-R451 HydrophobicContact CD2-CB 4.28Å; Y390-R451 HydrophobicContact CE1-CB 3.64Å; Y390-R451 HydrophobicContact CE1-CG 3.88Å; Y390-R451 HydrophobicContact CE2-CB 4.38Å; Y390-R451 HydrophobicContact CG-CB 3.87Å; Y390-F454 VanDerWaalsContact CB-CD2 3.42Å; Y390-F628 PolarHBondContact OH-O 2.91Å; Y390-N632 PolarHBondContact OH-ND2 3.28Å
391	M	95.7	Very high	94.1	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-85.4	-13.5	178	-63	-68.7	-68.8	0	0	113	S377 T378 T388 F389 F628 R631 F646	S377-M391 WeakPolarHBondContact O-CB 3.4Å; S377-M391 WeakPolarHBondContact O-CE 3.48Å; T378-M391 WeakPolarHBondContact CA-O 3.45Å; T388-M391 VanDerWaalsContact O-CB 3.23Å; T388-M391 WeakPolarHBondContact O-CB 3.31Å; T388-M391 PolarHBondContact O-N 3.41Å; F389-M391 PolarHBondContact O-N 2.68Å; F389-M391 VanDerWaalsContact O-N 3.15Å; M391-F628 HydrophobicContact CB-CD1 4.07Å; M391-F628 HydrophobicContact CB-CE1 4.42Å; M391-F628 HydrophobicContact CE-CD1 4.48Å; M391-F628 HydrophobicContact CG-CD1 3.96Å; M391-R631 HydrophobicContact CE-CB 3.91Å; M391-R631 HydrophobicContact SD-CB 4.17Å; M391-F646 HydrophobicContact CE-CD1 4.15Å; M391-F646 HydrophobicContact CE-CE1 3.46Å; M391-F646 VanDerWaalsContact CE-CE1 3.46Å; M391-F646 HydrophobicContact CE-CZ 3.92Å
392	N	97.7	Very high	92.7	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	16%	0.159	C	C	.	.	S	Bend	trans	-58.3	152.5	172	-68.3	-67.7	0	0	0	110.8	T378 G380 G381 F389 Q394 I486 C488	T378-N392 WeakPolarHBondContact O-CA 3.5Å; T378-N392 PolarHBondContact O-OD1 2.84Å; G380-N392 PolarHBondContact N-OD1 2.85Å; G381-N392 PolarHBondContact O-ND2 3.4Å; F389-N392 PolarHBondContact O-N 2.74Å; F389-N392 PolarHBondContact O-ND2 2.88Å; N392-Q394 VanDerWaalsContact O-CG 3.26Å; N392-Q394 WeakPolarHBondContact O-CG 3.36Å; N392-I486 HydrophobicContact CB-CG2 3.7Å; N392-C488 HydrophobicContact CB-CB 4.49Å
393	P	97	Very high	91.4	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.019	17%	0.171	C	C	.	.			trans	-53.8	145.2	171.5	-25.6	38	0	0	0	110.7	F395 P487 F498	P393-F395 HydrophobicContact CB-CE2 3.77Å; P393-F395 HydrophobicContact CB-CZ 4.25Å; P393-P487 WeakPolarHBondContact O-CD 3.25Å; P393-F498 HydrophobicContact CB-CZ 3.97Å; P393-F498 HydrophobicContact CG-CE1 3.99Å; P393-F498 HydrophobicContact CG-CZ 3.84Å
394	Q	96.9	Very high	89.8	Confident	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	122.9	-173.1	-46.9	-176.3	3	0	0	108.8	Y390 N392 L448 L449 V484 I486 E512 L513	Y390-Q394 PolarHBondContact O-NE2 3.21Å; N392-Q394 VanDerWaalsContact O-CG 3.26Å; N392-Q394 WeakPolarHBondContact O-CG 3.36Å; Q394-L448 HydrophobicContact CG-CD2 3.99Å; Q394-L449 PolarHBondContact NE2-O 3.46Å; Q394-L449 VanDerWaalsContact OE1-CB 3.31Å; Q394-V484 HydrophobicContact CB-CG2 3.84Å; Q394-I486 HydrophobicContact CB-CD1 3.84Å; Q394-I486 HydrophobicContact CG-CD1 3.73Å; Q394-E512 CarbonylContact O-C 3.58Å; Q394-E512 WeakPolarHBondContact O-CA 3.48Å; Q394-L513 HydrophobicContact CB-CB 4.12Å; Q394-L513 HydrophobicContact CB-CD1 4.11Å; Q394-L513 HydrophobicContact CB-CG 4.38Å; Q394-L513 PolarHBondContact O-N 3.42Å
395	F	95.9	Very high	87.9	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	116.8	-176.6	-65.6	-86.8	0	0	0	110.5	E369 P393 V484 I485 P487 F498 L500 E512	E369-F395 HydrophobicContact CB-CD1 3.72Å; E369-F395 HydrophobicContact CB-CE1 3.46Å; E369-F395 VanDerWaalsContact CB-CE1 3.46Å; E369-F395 HydrophobicContact CB-CZ 4.19Å; E369-F395 HydrophobicContact CG-CD1 3.7Å; E369-F395 HydrophobicContact CG-CE1 3.93Å; P393-F395 HydrophobicContact CB-CE2 3.77Å; P393-F395 HydrophobicContact CB-CZ 4.25Å; F395-V484 CarbonylContact O-C 3.5Å; F395-V484 VanDerWaalsContact O-CA 3.27Å; F395-V484 WeakPolarHBondContact O-CA 3.36Å; F395-I485 HydrophobicContact CB-CB 4.49Å; F395-I485 PolarHBondContact N-O 3.11Å; F395-I485 PolarHBondContact O-N 3.03Å; F395-P487 HydrophobicContact CD2-CG 3.87Å; F395-P487 HydrophobicContact CE2-CG 3.69Å; F395-F498 AromaticContact CE2-CE2 3.84Å; F395-F498 HydrophobicContact CE2-CE2 3.84Å; F395-F498 AromaticContact CE2-CZ 3.96Å; F395-F498 HydrophobicContact CE2-CZ 3.96Å; F395-F498 HydrophobicContact CZ-CE2 4.14Å; F395-F498 HydrophobicContact CZ-CZ 4.32Å; F395-L500 HydrophobicContact CB-CD2 3.86Å; F395-L500 HydrophobicContact CD1-CD2 4.43Å; F395-L500 HydrophobicContact CD2-CD2 3.57Å; F395-L500 HydrophobicContact CE2-CD2 4.23Å; F395-L500 HydrophobicContact CG-CD2 3.68Å; F395-E512 HydrophobicContact CD1-CB 4.02Å; F395-E512 HydrophobicContact CD1-CG 4.37Å; F395-E512 HydrophobicContact CE1-CB 3.72Å; F395-E512 HydrophobicContact CE1-CG 3.91Å; F395-E512 HydrophobicContact CZ-CB 4.47Å; F395-E512 HydrophobicContact CZ-CG 4.18Å
396	H	95	Very high	86.6	Confident	14 Å²	14	35.9 Å²	35.9	7%	0.065	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	140	173.6	164	-101.3	0	0	0	110.2	H482 Y483 S510 N511 L513	H396-H482 AromaticContact CE1-ND1 3.62Å; H396-H482 AromaticContact NE2-CE1 3.9Å; H396-H482 AromaticContact NE2-CG 3.68Å; H396-H482 AromaticContact NE2-ND1 2.87Å; H396-H482 PolarHBondContact NE2-ND1 3.11Å; H396-Y483 CarbonylContact C-O 3.19Å; H396-Y483 WeakPolarHBondContact CA-O 3.32Å; H396-S510 WeakPolarHBondContact O-CA 3.48Å; H396-S510 WeakPolarHBondContact O-CB 3.37Å; H396-N511 PolarHBondContact N-O 3.18Å; H396-N511 PolarHBondContact ND1-OD1 2.8Å; H396-N511 PolarHBondContact O-N 2.97Å; H396-L513 HydrophobicContact CB-CD2 3.75Å; H396-L513 HydrophobicContact CB-CG 4.13Å
397	V	93.1	Very high	85.1	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	139.8	174.5	65.2	0	0	0	0	110.4	L413 Y483 I485 I502 C508	V397-L413 HydrophobicContact CG1-CD2 4.36Å; V397-L413 HydrophobicContact CG2-CD1 4.15Å; V397-Y483 PolarHBondContact N-O 3.39Å; V397-Y483 PolarHBondContact O-N 3.4Å; V397-I485 HydrophobicContact CG1-CD1 4Å; V397-I485 HydrophobicContact CG1-CG1 4.07Å; V397-I502 HydrophobicContact CG2-CG2 4.02Å; V397-C508 HydrophobicContact CG2-CB 4.32Å
398	E	90.9	Very high	84.3	Confident	84 Å²	84	41.4 Å²	41.4	39%	0.393	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.4	170.5	-173.2	177.3	-174.1	0	0	110.6	V400 C508	E398-V400 HydrophobicContact CG-CG2 4.09Å; E398-C508 VanDerWaalsContact O-CB 3.27Å; E398-C508 WeakPolarHBondContact O-CB 3.39Å
399	V	89.7	Confident	83.5	Confident	7 Å²	7	41.7 Å²	41.7	4%	0.042	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.8	171.5	177.9	0	0	0	0	108.4	L413 L478 P480 G481 Y483	V399-L413 HydrophobicContact CG2-CD1 4.47Å; V399-L413 HydrophobicContact CG2-CD2 4.43Å; V399-L478 HydrophobicContact CG1-CB 4.28Å; V399-L478 HydrophobicContact CG2-CB 4.38Å; V399-L478 HydrophobicContact CG2-CD1 4.32Å; V399-P480 CarbonylContact O-C 3.54Å; V399-P480 VanDerWaalsContact O-CA 3.22Å; V399-P480 WeakPolarHBondContact O-CA 3.39Å; V399-G481 PolarHBondContact N-O 2.87Å; V399-G481 PolarHBondContact O-N 3.14Å; V399-Y483 HydrophobicContact CB-CD2 4.06Å; V399-Y483 HydrophobicContact CB-CE2 3.9Å; V399-Y483 HydrophobicContact CG2-CD2 3.58Å; V399-Y483 HydrophobicContact CG2-CE2 3.81Å
400	V	85.1	Confident	82.9	Confident	57 Å²	57	45.3 Å²	45.3	35%	0.345	24%	0.237	S	C	.	.			trans	-118.6	143.5	178.6	-173.3	0	0	0	0	108.8	E398 P402	E398-V400 HydrophobicContact CG-CG2 4.09Å; V400-P402 WeakPolarHBondContact O-CD 3.4Å
401	D	77.9	Confident	82.5	Confident	17 Å²	17	45 Å²	45	9%	0.091	24%	0.236	C	C	.	.			trans	-71.9	120.4	170.5	-172.1	-16.7	0	0	0	109.8	D403 G409 P480	D401-D403 PolarHBondContact O-N 2.81Å; D401-D403 VanDerWaalsContact OD1-C 3.22Å; D401-D403 PolarHBondContact OD1-N 3.29Å; D401-G409 WeakPolarHBondContact OD2-CA 3.17Å; D401-P480 HydrophobicContact CB-CG 3.72Å
402	P	69.6	Low	82.1	Confident	6 Å²	6	45.8 Å²	45.8	4%	0.039	24%	0.241	C	C	.	.	S	Bend	trans	-70	-20.6	177.9	32.2	-38.6	0	0	0	113.4	V400 E505 R506	V400-P402 WeakPolarHBondContact O-CD 3.4Å; P402-E505 HydrophobicContact CB-CB 3.84Å; P402-E505 HydrophobicContact CG-CB 4.12Å; P402-E505 WeakPolarHBondContact CG-OE2 3.36Å; P402-R506 HydrophobicContact CB-CG 4.37Å; P402-R506 PolarHBondContact O-NE 2.98Å; P402-R506 PolarHBondContact O-NH2 3.29Å
403	D	69.6	Low	81.7	Confident	48 Å²	48	45.9 Å²	45.9	26%	0.257	24%	0.242	S	C	.	.			trans	-148.6	90.2	-176.2	-156.9	-13.8	0	0	0	111.8	R362 D401 S405 D406	R362-D403 IonicContact CZ-OD2 3.17Å; R362-D403 IonicContact NH2-OD2 3.69Å; R362-D403 PolarHBondContact NH2-OD2 3.15Å; D401-D403 PolarHBondContact O-N 2.81Å; D401-D403 VanDerWaalsContact OD1-C 3.22Å; D401-D403 PolarHBondContact OD1-N 3.29Å; D403-S405 PolarHBondContact O-N 2.99Å; D403-S405 WeakPolarHBondContact OD1-CB 3.11Å; D403-S405 PolarHBondContact OD1-N 2.92Å; D403-S405 PolarHBondContact OD1-OG 3.12Å; D403-D406 HydrophobicContact CB-CB 4.34Å; D403-D406 PolarHBondContact O-N 2.92Å
404	E	62.8	Low	81.4	Confident	173 Å²	173	46 Å²	46	81%	0.808	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-7.4	176.4	-59.8	-180	-177	0	0	114.1
405	S	56.7	Low	81.3	Confident	103 Å²	103	45.9 Å²	45.9	72%	0.72	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-7.8	174.6	76	0	0	0	0	114.8	D403	D403-S405 PolarHBondContact O-N 2.99Å; D403-S405 WeakPolarHBondContact OD1-CB 3.11Å; D403-S405 PolarHBondContact OD1-N 2.92Å; D403-S405 PolarHBondContact OD1-OG 3.12Å
406	D	68.4	Low	81.3	Confident	48 Å²	48	45.9 Å²	45.9	26%	0.257	24%	0.242	S	C	.	.	S	Bend	trans	-75.6	151	172	74.5	27.6	0	0	0	112	D403 D408 G409	D403-D406 HydrophobicContact CB-CB 4.34Å; D403-D406 PolarHBondContact O-N 2.92Å; D406-D408 VanDerWaalsContact C-N 3.33Å; D406-D408 VanDerWaalsContact OD1-OD1 3.1Å; D406-G409 PolarHBondContact OD1-N 3.11Å
407	E	62.7	Low	81.4	Confident	206 Å²	206	45.2 Å²	45.2	96%	0.963	24%	0.239	S	C	*	.	S	Bend	trans	-78.9	-16.6	-172.8	-73.2	-171.1	169.7	0	0	113
408	D	76.1	Confident	81.6	Confident	67 Å²	67	45.2 Å²	45.2	36%	0.358	24%	0.239	S	C	.	.	S	Bend	trans	-85.2	-37.5	-178.3	59	-32.1	0	0	0	112.2	D406 Y410 K477	D406-D408 VanDerWaalsContact C-N 3.33Å; D406-D408 VanDerWaalsContact OD1-OD1 3.1Å; D408-Y410 VanDerWaalsContact C-N 3.34Å; D408-Y410 HydrophobicContact CB-CD2 3.95Å; D408-Y410 WeakPolarHBondContact O-CD2 3.32Å; D408-Y410 WeakPolarHBondContact O-CE2 3.49Å; D408-K477 IonicContact OD2-NZ 3.74Å; D408-K477 PolarHBondContact OD2-NZ 2.82Å
409	G	80.5	Confident	81.9	Confident	24 Å²	24	41.3 Å²	41.3	25%	0.247	22%	0.221	C	C	.	.			trans	66	36.4	177.8	0	0	0	0	0	113	D401 D406 P480	D401-G409 WeakPolarHBondContact OD2-CA 3.17Å; D406-G409 PolarHBondContact OD1-N 3.11Å; G409-P480 VanDerWaalsContact O-CD 3.26Å; G409-P480 WeakPolarHBondContact O-CD 3.4Å
410	Y	85.3	Confident	82.1	Confident	82 Å²	82	42.3 Å²	42.3	32%	0.322	22%	0.224	S	C	.	.			trans	-121.2	137.5	179.2	-71.7	-99.5	0	0	0	110.2	D408 K477 L478 K479	D408-Y410 VanDerWaalsContact C-N 3.34Å; D408-Y410 HydrophobicContact CB-CD2 3.95Å; D408-Y410 WeakPolarHBondContact O-CD2 3.32Å; D408-Y410 WeakPolarHBondContact O-CE2 3.49Å; Y410-K477 HydrophobicContact CD1-CB 4.36Å; Y410-K477 HydrophobicContact CG-CB 4.46Å; Y410-L478 CarbonylContact C-O 3.57Å; Y410-L478 WeakPolarHBondContact CA-O 3.36Å; Y410-L478 VanDerWaalsContact CD1-C 3.4Å; Y410-K479 HydrophobicContact CD1-CG 3.96Å; Y410-K479 HydrophobicContact CE1-CD 4.47Å; Y410-K479 HydrophobicContact CE1-CG 3.47Å; Y410-K479 VanDerWaalsContact CE1-CG 3.47Å; Y410-K479 WeakPolarHBondContact OH-CE 3.41Å
411	G	86.6	Confident	82.2	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	144.5	165.2	0	0	0	0	0	111.4	L478	G411-L478 PolarHBondContact N-O 3.25Å; G411-L478 PolarHBondContact O-N 2.86Å
412	T	85.8	Confident	82.7	Confident	20 Å²	20	40.2 Å²	40.2	12%	0.123	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	130.2	171.2	-48.1	0	0	0	0	110.9	W364 R475 H476 E505	W364-T412 HydrophobicContact CH2-CG2 3.75Å; W364-T412 HydrophobicContact CZ3-CG2 4.36Å; T412-R475 HydrophobicContact CG2-CG 3.98Å; T412-H476 WeakPolarHBondContact CA-O 3.44Å; T412-E505 WeakPolarHBondContact CB-OE2 3.5Å; T412-E505 PolarHBondContact N-OE2 2.9Å; T412-E505 PolarHBondContact OG1-OE2 3.32Å
413	L	89.4	Confident	83.5	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.01	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	122	174.7	-169.5	75.5	0	0	0	109.2	V397 V399 V415 H476 L478 I485 I502 F503	V397-L413 HydrophobicContact CG1-CD2 4.36Å; V397-L413 HydrophobicContact CG2-CD1 4.15Å; V399-L413 HydrophobicContact CG2-CD1 4.47Å; V399-L413 HydrophobicContact CG2-CD2 4.43Å; L413-V415 HydrophobicContact CD2-CG2 3.84Å; L413-V415 HydrophobicContact CG-CG2 3.94Å; L413-H476 PolarHBondContact N-O 3.03Å; L413-H476 PolarHBondContact O-N 3.45Å; L413-L478 HydrophobicContact CD2-CD1 4.05Å; L413-I485 HydrophobicContact CD2-CD1 4.4Å; L413-I502 HydrophobicContact CD1-CG2 3.52Å; L413-I502 HydrophobicContact CG-CG2 4.4Å; L413-F503 WeakPolarHBondContact CA-O 3.46Å
414	V	91.2	Very high	84.3	Confident	5 Å²	5	42.4 Å²	42.4	3%	0.03	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.3	170.7	-162	0	0	0	0	108.7	L207 W364 G474 R475 F503	L207-V414 HydrophobicContact CD2-CB 4.25Å; L207-V414 HydrophobicContact CD2-CG1 3.53Å; W364-V414 HydrophobicContact CH2-CG2 4.05Å; W364-V414 HydrophobicContact CZ3-CG2 4Å; V414-G474 WeakPolarHBondContact CA-O 3.43Å; V414-R475 HydrophobicContact CG1-CB 4.49Å; V414-R475 HydrophobicContact CG2-CB 4.42Å; V414-R475 HydrophobicContact CG2-CG 4.17Å; V414-F503 HydrophobicContact CB-CB 4.07Å; V414-F503 HydrophobicContact CG2-CB 4.45Å; V414-F503 PolarHBondContact N-O 3.21Å; V414-F503 PolarHBondContact O-N 3.12Å
415	V	94.9	Very high	85.3	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	116.9	-176.7	-178	0	0	0	0	109	L413 Y434 C473 G474 I485 L500 R501	L413-V415 HydrophobicContact CD2-CG2 3.84Å; L413-V415 HydrophobicContact CG-CG2 3.94Å; V415-Y434 HydrophobicContact CB-CE1 3.95Å; V415-Y434 HydrophobicContact CB-CE2 3.91Å; V415-Y434 HydrophobicContact CG1-CD1 3.9Å; V415-Y434 HydrophobicContact CG1-CD2 4.15Å; V415-Y434 HydrophobicContact CG1-CE1 3.71Å; V415-Y434 HydrophobicContact CG1-CE2 4Å; V415-Y434 HydrophobicContact CG1-CG 4.13Å; V415-Y434 HydrophobicContact CG2-CE2 4.47Å; V415-Y434 WeakPolarHBondContact O-CE1 3.22Å; V415-Y434 PolarHBondContact O-OH 2.77Å; V415-Y434 VanDerWaalsContact O-OH 3.12Å; V415-C473 CarbonylContact O-C 3.59Å; V415-C473 WeakPolarHBondContact O-CA 3.2Å; V415-G474 PolarHBondContact N-O 3.32Å; V415-G474 PolarHBondContact O-N 2.98Å; V415-I485 HydrophobicContact CG1-CD1 4.29Å; V415-I485 HydrophobicContact CG1-CG2 4.25Å; V415-I485 HydrophobicContact CG2-CD1 3.84Å; V415-L500 HydrophobicContact CG1-CD1 3.58Å; V415-R501 WeakPolarHBondContact CA-O 3.5Å
416	G	95.7	Very high	86.7	Confident	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124.7	170.5	0	0	0	0	0	110.7	V472 L500 R501	G416-V472 WeakPolarHBondContact CA-O 3.32Å; G416-L500 CarbonylContact O-C 3.49Å; G416-L500 WeakPolarHBondContact O-CA 3.07Å; G416-R501 PolarHBondContact N-O 3.24Å; G416-R501 PolarHBondContact O-N 2.86Å
417	L	97.5	Very high	87.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	110.1	175.4	172.7	62.2	0	0	0	109.4	W373 I432 G433 Y434 E471 V472 P487 F498 L500	W373-L417 HydrophobicContact CH2-CD1 4.18Å; W373-L417 HydrophobicContact CH2-CD2 4.21Å; W373-L417 HydrophobicContact CH2-CG 4.4Å; W373-L417 HydrophobicContact CZ2-CD1 4.22Å; W373-L417 HydrophobicContact CZ2-CD2 4.11Å; L417-I432 HydrophobicContact CD2-CB 4.39Å; L417-I432 HydrophobicContact CG-CD1 4.31Å; L417-I432 VanDerWaalsContact O-CD1 3.3Å; L417-I432 WeakPolarHBondContact O-CD1 3.16Å; L417-G433 WeakPolarHBondContact CD2-O 3.46Å; L417-Y434 HydrophobicContact CB-CD1 4.07Å; L417-E471 VanDerWaalsContact O-CA 3.29Å; L417-E471 WeakPolarHBondContact O-CA 3.44Å; L417-E471 WeakPolarHBondContact O-CG 3.45Å; L417-V472 HydrophobicContact CB-CG1 3.99Å; L417-V472 HydrophobicContact CD2-CG1 4.49Å; L417-V472 PolarHBondContact N-O 3.19Å; L417-V472 PolarHBondContact O-N 2.84Å; L417-P487 HydrophobicContact CD1-CB 3.55Å; L417-P487 HydrophobicContact CD2-CB 3.71Å; L417-P487 HydrophobicContact CG-CB 4.25Å; L417-F498 HydrophobicContact CD1-CB 3.99Å; L417-F498 HydrophobicContact CD1-CD2 3.61Å; L417-F498 HydrophobicContact CD1-CE2 4.34Å; L417-F498 HydrophobicContact CD1-CG 3.94Å; L417-L500 HydrophobicContact CB-CD1 4.31Å; L417-L500 HydrophobicContact CD1-CD1 4.35Å
418	M	96.8	Very high	89	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.1	-174.7	-176.7	179.9	-67.1	0	0	111.7	W140 F142 E201 R470 E471 F498 M499	W140-M418 HydrophobicContact CH2-CE 4.17Å; W140-M418 HydrophobicContact CH2-SD 4.16Å; W140-M418 HydrophobicContact CZ3-CE 3.97Å; W140-M418 HydrophobicContact CZ3-SD 3.96Å; F142-M418 HydrophobicContact CD1-CG 4.36Å; F142-M418 HydrophobicContact CD1-SD 3.69Å; F142-M418 HydrophobicContact CE1-SD 4.08Å; E201-M418 HydrophobicContact CB-CE 4.49Å; E201-M418 HydrophobicContact CG-CE 4.16Å; E201-M418 WeakPolarHBondContact OE2-CE 3.44Å; M418-R470 CarbonylContact C-O 3.51Å; M418-R470 VanDerWaalsContact CA-O 3.26Å; M418-R470 WeakPolarHBondContact CA-O 3.47Å; M418-R470 HydrophobicContact CG-CG 4.24Å; M418-E471 HydrophobicContact CB-CB 4Å; M418-E471 HydrophobicContact CB-CG 3.93Å; M418-E471 HydrophobicContact CE-CB 4.05Å; M418-E471 HydrophobicContact CE-CG 4.32Å; M418-E471 HydrophobicContact CG-CB 4.19Å; M418-F498 CarbonylContact O-C 3.51Å; M418-F498 WeakPolarHBondContact O-CA 3.33Å; M418-F498 VanDerWaalsContact O-CB 3.29Å; M418-F498 WeakPolarHBondContact O-CB 3.34Å; M418-M499 HydrophobicContact CB-CB 4.45Å; M418-M499 PolarHBondContact N-O 2.85Å; M418-M499 PolarHBondContact O-N 2.81Å
419	Q	96.7	Very high	89.8	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.009	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	139.9	171.7	59.5	-170.4	-49.7	0	0	111.8	W373 L422 P429 H430 I432 M469 R470	W373-Q419 HydrophobicContact CZ3-CB 4.47Å; Q419-L422 HydrophobicContact CB-CD1 4.44Å; Q419-L422 HydrophobicContact CG-CD1 3.99Å; Q419-P429 VanDerWaalsContact NE2-CB 3.35Å; Q419-H430 PolarHBondContact NE2-O 3.04Å; Q419-I432 HydrophobicContact CB-CD1 4.38Å; Q419-I432 HydrophobicContact CG-CD1 4.14Å; Q419-M469 PolarHBondContact NE2-O 3.19Å; Q419-R470 WeakPolarHBondContact CG-O 3.36Å; Q419-R470 PolarHBondContact N-O 3.05Å
420	K	95.1	Very high	90.6	Very high	27 Å²	27	39.2 Å²	39.2	12%	0.117	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.2	-168	-56.4	-172.3	179.4	-167.1	0	113.1	F142 E370 L422 K497 F498	F142-K420 HydrophobicContact CB-CD 3.84Å; F142-K420 HydrophobicContact CB-CG 4.1Å; F142-K420 HydrophobicContact CD1-CB 4.04Å; F142-K420 HydrophobicContact CD1-CD 4.4Å; F142-K420 HydrophobicContact CD1-CG 3.7Å; F142-K420 HydrophobicContact CD2-CB 4.35Å; F142-K420 HydrophobicContact CD2-CG 4.48Å; F142-K420 HydrophobicContact CE1-CB 4.13Å; F142-K420 HydrophobicContact CE1-CG 4.25Å; F142-K420 HydrophobicContact CE2-CB 4.42Å; F142-K420 HydrophobicContact CG-CB 4.16Å; F142-K420 HydrophobicContact CG-CD 4.07Å; F142-K420 HydrophobicContact CG-CG 3.85Å; F142-K420 HydrophobicContact CZ-CB 4.32Å; E370-K420 IonicContact OE1-NZ 2.68Å; E370-K420 PolarHBondContact OE1-NZ 3.11Å; E370-K420 IonicContact OE2-NZ 2.71Å; K420-L422 PolarHBondContact O-N 3.12Å; K420-K497 HydrophobicContact CB-CB 4.18Å; K420-K497 HydrophobicContact CD-CB 4.36Å; K420-K497 PolarHBondContact N-O 2.96Å; K420-F498 WeakPolarHBondContact CE-O 3.42Å
421	G	86.8	Confident	91.2	Very high	15 Å²	15	37.6 Å²	37.6	16%	0.155	19%	0.188	C	C	.	.	S	Bend	trans	74	20.2	158.3	0	0	0	0	0	116.5	F142 E424 K425	F142-G421 VanDerWaalsContact CZ-N 3.28Å; G421-E424 WeakPolarHBondContact CA-OE2 3.09Å; G421-K425 VanDerWaalsContact O-CD 3.3Å; G421-K425 WeakPolarHBondContact O-CD 3.39Å; G421-K425 WeakPolarHBondContact O-CE 3.02Å; G421-K425 WeakPolarHBondContact O-CG 3.42Å
422	L	87.8	Confident	91.8	Very high	16 Å²	16	37.6 Å²	37.6	8%	0.084	19%	0.188	C	C	.	.	S	Bend	trans	-84.9	-39.7	-177.4	-62.7	-178.4	0	0	0	112.6	Q419 K420 E424 K425 H426 V427	Q419-L422 HydrophobicContact CB-CD1 4.44Å; Q419-L422 HydrophobicContact CG-CD1 3.99Å; K420-L422 PolarHBondContact O-N 3.12Å; L422-E424 PolarHBondContact O-N 2.84Å; L422-K425 CarbonylContact O-C 3.55Å; L422-K425 PolarHBondContact O-N 3.02Å; L422-K425 VanDerWaalsContact O-N 3.09Å; L422-H426 PolarHBondContact O-N 2.97Å; L422-V427 CarbonylContact C-O 3.56Å; L422-V427 HydrophobicContact CB-CB 4.39Å; L422-V427 WeakPolarHBondContact CB-O 3.38Å; L422-V427 HydrophobicContact CD2-CB 4.26Å; L422-V427 HydrophobicContact CD2-CG1 4.12Å; L422-V427 PolarHBondContact O-N 3.22Å
423	R	88.1	Confident	92.4	Very high	48 Å²	48	36.6 Å²	36.6	18%	0.181	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-60.5	-43.4	178.8	-176.9	175.4	-72.1	-80.1	-0.2	111.8	V185 A190 G193 E198 K425 H426	V185-R423 HydrophobicContact CB-CG 4.43Å; A190-R423 PolarHBondContact O-NH1 2.88Å; G193-R423 PolarHBondContact O-NH1 2.88Å; G193-R423 PolarHBondContact O-NH2 2.95Å; G193-R423 VanDerWaalsContact O-NH2 3.16Å; E198-R423 IonicContact OE1-NH2 2.82Å; E198-R423 PolarHBondContact OE1-NH2 3Å; E198-R423 IonicContact OE2-CZ 2.86Å; E198-R423 IonicContact OE2-NE 3.74Å; E198-R423 PolarHBondContact OE2-NE 2.75Å; E198-R423 IonicContact OE2-NH2 3.19Å; E198-R423 PolarHBondContact OE2-NH2 2.87Å; R423-K425 PolarHBondContact O-N 3.31Å; R423-H426 PolarHBondContact O-N 2.62Å
424	E	84.3	Confident	92.8	Very high	52 Å²	52	36.5 Å²	36.5	24%	0.243	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-65.7	-20.9	179.1	-53.8	97.1	130	0	0	113.2	R141 V185 G421 L422	R141-E424 IonicContact CZ-OE1 3.07Å; R141-E424 IonicContact NH2-OE1 2.78Å; R141-E424 PolarHBondContact NH2-OE1 2.92Å; R141-E424 IonicContact NH2-OE2 3.56Å; R141-E424 PolarHBondContact NH2-OE2 2.98Å; V185-E424 WeakPolarHBondContact O-CA 3.36Å; G421-E424 WeakPolarHBondContact CA-OE2 3.09Å; L422-E424 PolarHBondContact O-N 2.84Å
425	K	85.7	Confident	93.1	Very high	148 Å²	148	36.3 Å²	36.3	64%	0.643	18%	0.18	S	C	*	.	G	3₁₀ helix	trans	-96.7	1.6	176.6	-63.2	176	-172.2	172.1	0	112.4	G421 L422 R423 V427	G421-K425 VanDerWaalsContact O-CD 3.3Å; G421-K425 WeakPolarHBondContact O-CD 3.39Å; G421-K425 WeakPolarHBondContact O-CE 3.02Å; G421-K425 WeakPolarHBondContact O-CG 3.42Å; L422-K425 CarbonylContact O-C 3.55Å; L422-K425 PolarHBondContact O-N 3.02Å; L422-K425 VanDerWaalsContact O-N 3.09Å; R423-K425 PolarHBondContact O-N 3.31Å; K425-V427 HydrophobicContact CB-CG2 3.87Å; K425-V427 PolarHBondContact O-N 3.19Å
426	H	86.1	Confident	93.3	Very high	99 Å²	99	36.3 Å²	36.3	46%	0.458	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	38.2	-171.4	-58	-79.5	0	0	0	112.7	S56 L422 R423	S56-H426 PolarHBondContact OG-CE1 3.18Å; S56-H426 PolarHBondContact OG-NE2 3.49Å; L422-H426 PolarHBondContact O-N 2.97Å; R423-H426 PolarHBondContact O-N 2.62Å
427	V	88.7	Confident	93.3	Very high	66 Å²	66	36.7 Å²	36.7	40%	0.4	18%	0.182	S	C	.	.			trans	-106	133.3	176.2	179.2	0	0	0	0	108.5	L422 K425	L422-V427 CarbonylContact C-O 3.56Å; L422-V427 HydrophobicContact CB-CB 4.39Å; L422-V427 WeakPolarHBondContact CB-O 3.38Å; L422-V427 HydrophobicContact CD2-CB 4.26Å; L422-V427 HydrophobicContact CD2-CG1 4.12Å; L422-V427 PolarHBondContact O-N 3.22Å; K425-V427 HydrophobicContact CB-CG2 3.87Å; K425-V427 PolarHBondContact O-N 3.19Å
428	E	89.8	Confident	93.3	Very high	163 Å²	163	42.6 Å²	42.6	76%	0.762	20%	0.204	S	C	*	.	P	Polyproline II helix	trans	-65.2	143.4	175.2	-69.7	-172.8	163.2	0	0	111.2
429	P	93.8	Very high	93.1	Very high	41 Å²	41	43 Å²	43	27%	0.266	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-59.3	137.3	175.3	-21	32.2	0	0	0	112.2	Q419 N468	Q419-P429 VanDerWaalsContact NE2-CB 3.35Å; P429-N468 WeakPolarHBondContact O-CB 3.29Å
430	H	96.5	Very high	92.8	Very high	37 Å²	37	45 Å²	45	17%	0.171	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-67.4	155.7	171.1	-60.4	-52.3	0	0	0	110.3	Q419 I432 N468 T489 E495	Q419-H430 PolarHBondContact NE2-O 3.04Å; H430-I432 HydrophobicContact CB-CG2 4.24Å; H430-I432 PolarHBondContact O-N 2.93Å; H430-N468 WeakPolarHBondContact O-CA 3.43Å; H430-T489 HydrophobicContact CB-CG2 4.11Å; H430-E495 PolarHBondContact NE2-O 3.14Å
431	V	98	Very high	92.3	Very high	48 Å²	48	50.6 Å²	50.6	29%	0.291	26%	0.258	S	S	.	.			trans	-72	109.6	169.9	-177.3	0	0	0	0	108	F466 N468 T489 F490	V431-F466 HydrophobicContact CG1-CB 3.82Å; V431-N468 HydrophobicContact CG2-CB 3.99Å; V431-T489 CarbonylContact O-C 3.59Å; V431-T489 WeakPolarHBondContact O-CA 3.42Å; V431-F490 HydrophobicContact CB-CB 3.79Å; V431-F490 HydrophobicContact CG1-CB 3.72Å; V431-F490 HydrophobicContact CG1-CD2 4.47Å; V431-F490 HydrophobicContact CG1-CG 4.28Å; V431-F490 PolarHBondContact O-N 3.13Å
432	I	98.4	Very high	92.2	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	156.9	-175.3	58.6	169.6	0	0	0	112.4	W373 L417 Q419 H430 F466 I467 V472 T489	W373-I432 HydrophobicContact CH2-CB 4.38Å; W373-I432 HydrophobicContact CH2-CG2 3.73Å; W373-I432 HydrophobicContact CZ3-CG2 3.89Å; L417-I432 HydrophobicContact CD2-CB 4.39Å; L417-I432 HydrophobicContact CG-CD1 4.31Å; L417-I432 VanDerWaalsContact O-CD1 3.3Å; L417-I432 WeakPolarHBondContact O-CD1 3.16Å; Q419-I432 HydrophobicContact CB-CD1 4.38Å; Q419-I432 HydrophobicContact CG-CD1 4.14Å; H430-I432 HydrophobicContact CB-CG2 4.24Å; H430-I432 PolarHBondContact O-N 2.93Å; I432-F466 WeakPolarHBondContact O-CA 3.26Å; I432-I467 PolarHBondContact N-O 2.63Å; I432-I467 PolarHBondContact O-N 3.36Å; I432-I467 VanDerWaalsContact O-N 3.12Å; I432-V472 HydrophobicContact CD1-CG1 4.29Å; I432-V472 HydrophobicContact CG1-CG1 4.17Å; I432-T489 HydrophobicContact CG2-CG2 4.23Å
433	G	98.2	Very high	91.9	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	174.8	177	0	0	0	0	0	111.9	L417 S463 F466 C488	L417-G433 WeakPolarHBondContact CD2-O 3.46Å; G433-S463 WeakPolarHBondContact CA-OG 3.47Å; G433-F466 VanDerWaalsContact CA-CE1 3.49Å; G433-C488 PolarHBondContact N-O 3.36Å; G433-C488 PolarHBondContact O-N 3.05Å
434	Y	98.3	Very high	91.5	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	158.8	175.7	61.6	-100.4	0	0	0	111.8	V415 L417 V436 R462 S463 V472 G474 H476 I485 I486	V415-Y434 HydrophobicContact CB-CE1 3.95Å; V415-Y434 HydrophobicContact CB-CE2 3.91Å; V415-Y434 HydrophobicContact CG1-CD1 3.9Å; V415-Y434 HydrophobicContact CG1-CD2 4.15Å; V415-Y434 HydrophobicContact CG1-CE1 3.71Å; V415-Y434 HydrophobicContact CG1-CE2 4Å; V415-Y434 HydrophobicContact CG1-CG 4.13Å; V415-Y434 HydrophobicContact CG2-CE2 4.47Å; V415-Y434 WeakPolarHBondContact O-CE1 3.22Å; V415-Y434 PolarHBondContact O-OH 2.77Å; V415-Y434 VanDerWaalsContact O-OH 3.12Å; L417-Y434 HydrophobicContact CB-CD1 4.07Å; Y434-V436 HydrophobicContact CD2-CG2 4.1Å; Y434-V436 HydrophobicContact CE2-CG2 4.23Å; Y434-R462 CarbonylContact O-C 3.54Å; Y434-R462 WeakPolarHBondContact O-CA 3.3Å; Y434-S463 PolarHBondContact N-OG 2.88Å; Y434-S463 PolarHBondContact O-N 2.92Å; Y434-V472 HydrophobicContact CD1-CG1 4.38Å; Y434-G474 WeakPolarHBondContact OH-CA 3.3Å; Y434-G474 PolarHBondContact OH-N 2.99Å; Y434-G474 VanDerWaalsContact OH-N 3.15Å; Y434-G474 PolarHBondContact OH-O 2.96Å; Y434-H476 AromaticContact CE2-NE2 3.48Å; Y434-H476 WeakPolarHBondContact CE2-NE2 3.47Å; Y434-H476 AromaticContact CZ-NE2 3.62Å; Y434-H476 PolarHBondContact OH-NE2 3.4Å; Y434-I485 HydrophobicContact CD2-CG2 4.43Å; Y434-I485 HydrophobicContact CG-CG2 4.47Å; Y434-I486 VanDerWaalsContact CA-O 3.26Å; Y434-I486 WeakPolarHBondContact CA-O 3.06Å
435	S	98.1	Very high	91.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.007	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	139.1	173	-67.4	0	0	0	0	110.5	I486	S435-I486 PolarHBondContact N-O 2.65Å; S435-I486 VanDerWaalsContact N-O 3.11Å; S435-I486 PolarHBondContact O-N 3.03Å
436	V	97.9	Very high	91	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.9	-179.6	-170.7	0	0	0	0	109.1	Y434 S459 V460 A461 L478 Y483 V484 I485	Y434-V436 HydrophobicContact CD2-CG2 4.1Å; Y434-V436 HydrophobicContact CE2-CG2 4.23Å; V436-S459 CarbonylContact O-C 3.6Å; V436-S459 VanDerWaalsContact O-CA 3.26Å; V436-S459 WeakPolarHBondContact O-CA 3.33Å; V436-V460 HydrophobicContact CB-CG2 4.35Å; V436-V460 HydrophobicContact CG1-CG2 4.18Å; V436-V460 WeakPolarHBondContact O-CG2 3.49Å; V436-V460 PolarHBondContact O-N 3.21Å; V436-A461 HydrophobicContact CB-CB 4.02Å; V436-A461 HydrophobicContact CG2-CB 4.13Å; V436-A461 PolarHBondContact N-O 3.2Å; V436-A461 PolarHBondContact O-N 3.1Å; V436-L478 HydrophobicContact CG1-CD1 4.23Å; V436-Y483 HydrophobicContact CG1-CD1 4.02Å; V436-Y483 HydrophobicContact CG1-CG 4.31Å; V436-V484 WeakPolarHBondContact CA-O 3.29Å; V436-I485 HydrophobicContact CG1-CG1 4.46Å; V436-I485 HydrophobicContact CG2-CG1 4.29Å
437	F	97.3	Very high	91.1	Very high	7 Å²	7	54.7 Å²	54.7	3%	0.031	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	142.8	177.9	-64.2	-102.7	0	0	0	110	F389 F453 F454 N457 S459 Y483 V484 I486	F389-F437 AromaticContact CE1-CE2 3.95Å; F389-F437 HydrophobicContact CE1-CE2 3.95Å; F389-F437 HydrophobicContact CE1-CZ 4.01Å; F389-F437 AromaticContact CZ-CE2 3.93Å; F389-F437 HydrophobicContact CZ-CE2 3.93Å; F389-F437 HydrophobicContact CZ-CZ 4.26Å; F437-F453 HydrophobicContact CB-CE1 4Å; F437-F453 HydrophobicContact CB-CZ 4.19Å; F437-F453 HydrophobicContact CD1-CE1 4.4Å; F437-F453 HydrophobicContact CG-CE1 4.29Å; F437-F454 HydrophobicContact CD1-CD1 4.34Å; F437-F454 HydrophobicContact CD2-CD1 4.21Å; F437-F454 HydrophobicContact CD2-CE1 4.05Å; F437-F454 HydrophobicContact CE1-CD1 4.1Å; F437-F454 AromaticContact CE2-CD1 3.98Å; F437-F454 HydrophobicContact CE2-CD1 3.98Å; F437-F454 HydrophobicContact CE2-CE1 4.11Å; F437-F454 HydrophobicContact CG-CD1 4.4Å; F437-F454 HydrophobicContact CG-CE1 4.41Å; F437-F454 AromaticContact CZ-CD1 3.92Å; F437-F454 HydrophobicContact CZ-CD1 3.92Å; F437-N457 HydrophobicContact CD1-CB 4.34Å; F437-N457 WeakPolarHBondContact CE1-O 3.18Å; F437-S459 VanDerWaalsContact CE1-N 3.3Å; F437-Y483 CarbonylContact O-C 3.59Å; F437-Y483 WeakPolarHBondContact O-CA 3.47Å; F437-V484 HydrophobicContact CB-CG1 3.77Å; F437-V484 PolarHBondContact N-O 3.21Å; F437-V484 PolarHBondContact O-N 2.86Å; F437-I486 HydrophobicContact CD2-CG1 4.11Å; F437-I486 HydrophobicContact CE2-CG1 4.15Å
438	R	95.9	Very high	91.3	Very high	124 Å²	124	52.2 Å²	52.2	47%	0.468	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	132.2	171.7	-167.8	175.8	-168	-172.9	4.1	109.4	V460 Y483	R438-V460 HydrophobicContact CB-CG1 4.11Å; R438-Y483 HydrophobicContact CB-CD1 4Å; R438-Y483 HydrophobicContact CB-CE1 3.7Å; R438-Y483 HydrophobicContact CG-CD1 4.28Å; R438-Y483 HydrophobicContact CG-CE1 3.78Å
439	M	93	Very high	91.4	Very high	10 Å²	10	44.9 Å²	44.9	5%	0.049	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-84.1	127.4	174.4	-67.4	-175.3	65.1	0	0	109.9	A443 P444 L449 H482 V484	M439-A443 HydrophobicContact CB-CB 4.38Å; M439-A443 HydrophobicContact CE-CB 3.77Å; M439-P444 WeakPolarHBondContact CE-O 3.25Å; M439-L449 HydrophobicContact CE-CD2 4.36Å; M439-H482 HydrophobicContact CB-CB 4.15Å; M439-H482 PolarHBondContact N-O 2.86Å; M439-V484 HydrophobicContact CG-CB 4.33Å; M439-V484 HydrophobicContact CG-CG1 4.41Å; M439-V484 HydrophobicContact SD-CB 4.24Å
440	P	90.3	Very high	91.3	Very high	43 Å²	43	46.2 Å²	46.2	28%	0.279	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-67.6	152.7	170.6	28.3	-32.4	0	0	0	109.5	S442 A443 F453	P440-S442 PolarHBondContact O-N 3.4Å; P440-A443 HydrophobicContact CG-CB 3.91Å; P440-A443 WeakPolarHBondContact O-CB 3.43Å; P440-A443 PolarHBondContact O-N 2.9Å; P440-F453 HydrophobicContact CG-CE2 4.36Å
441	P	85.6	Confident	91	Very high	144 Å²	144	48.3 Å²	48.3	94%	0.935	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-19.8	179.1	-25.2	33.9	0	0	0	114.7
442	S	84	Confident	90.7	Very high	109 Å²	109	54.5 Å²	54.5	76%	0.762	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-10	177	61.5	0	0	0	0	114.1	P440	P440-S442 PolarHBondContact O-N 3.4Å
443	A	82.5	Confident	90.5	Very high	13 Å²	13	55.4 Å²	55.4	11%	0.107	28%	0.283	C	S	.	.	S	Bend	trans	-73	142.1	179.6	0	0	0	0	0	110.4	M439 P440 N445 L449	M439-A443 HydrophobicContact CB-CB 4.38Å; M439-A443 HydrophobicContact CE-CB 3.77Å; P440-A443 HydrophobicContact CG-CB 3.91Å; P440-A443 WeakPolarHBondContact O-CB 3.43Å; P440-A443 PolarHBondContact O-N 2.9Å; A443-N445 PolarHBondContact O-N 3.03Å; A443-N445 PolarHBondContact O-OD1 3.2Å; A443-L449 HydrophobicContact CB-CD2 4.38Å
444	P	78.9	Confident	90.3	Very high	62 Å²	62	56.7 Å²	56.7	40%	0.403	29%	0.288	S	S	.	.			trans	-70.1	129.5	174.1	28.2	-32	0	0	0	110.3	M439 N446 R447	M439-P444 WeakPolarHBondContact CE-O 3.25Å; P444-N446 VanDerWaalsContact C-N 3.3Å; P444-N446 PolarHBondContact O-N 3.27Å; P444-R447 HydrophobicContact CB-CB 4.07Å; P444-R447 HydrophobicContact CB-CG 4.43Å; P444-R447 HydrophobicContact CG-CB 3.99Å
445	N	76.2	Confident	90.1	Very high	69 Å²	69	62.6 Å²	62.6	37%	0.369	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-13.8	-177.9	-67.5	1.4	0	0	0	114.2	A443 L513	A443-N445 PolarHBondContact O-N 3.03Å; A443-N445 PolarHBondContact O-OD1 3.2Å; N445-L513 WeakPolarHBondContact O-CD2 3.46Å
446	N	83.9	Confident	89.9	Confident	111 Å²	111	68 Å²	68	59%	0.594	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.4	29.1	-172.8	-61	1.7	0	0	0	111.9	P444 D514	P444-N446 VanDerWaalsContact C-N 3.3Å; P444-N446 PolarHBondContact O-N 3.27Å; N446-D514 VanDerWaalsContact O-O 3.05Å
447	R	87.7	Confident	89.7	Confident	100 Å²	100	70.5 Å²	70.5	38%	0.377	36%	0.358	S	S	.	.	S	Bend	trans	-138.8	151	176.7	-70.2	-172.2	-178.9	158.8	4	111	P444 L449 D514	P444-R447 HydrophobicContact CB-CB 4.07Å; P444-R447 HydrophobicContact CB-CG 4.43Å; P444-R447 HydrophobicContact CG-CB 3.99Å; R447-L449 PolarHBondContact O-N 2.73Å; R447-D514 WeakPolarHBondContact CA-O 3.38Å
448	L	92.8	Very high	89.6	Confident	14 Å²	14	75.1 Å²	75.1	7%	0.073	39%	0.392	C	S	.	.			trans	-60.7	127.3	175.3	-74.1	162.7	0	0	0	110.9	Q394 L513 D515	Q394-L448 HydrophobicContact CG-CD2 3.99Å; L448-L513 WeakPolarHBondContact CD2-O 3.45Å; L448-D515 HydrophobicContact CD1-CB 4.29Å; L448-D515 PolarHBondContact N-OD1 2.84Å
449	L	92.8	Very high	89.6	Confident	10 Å²	10	71 Å²	71	5%	0.052	38%	0.382	C	S	.	.			trans	-71.9	138.3	171.6	-55.7	172.4	0	0	0	109	Q394 M439 A443 R447 F453 F454 V484 L513	Q394-L449 PolarHBondContact NE2-O 3.46Å; Q394-L449 VanDerWaalsContact OE1-CB 3.31Å; M439-L449 HydrophobicContact CE-CD2 4.36Å; A443-L449 HydrophobicContact CB-CD2 4.38Å; R447-L449 PolarHBondContact O-N 2.73Å; L449-F453 HydrophobicContact CB-CB 4.17Å; L449-F453 HydrophobicContact CB-CD1 3.98Å; L449-F453 HydrophobicContact CB-CG 4.06Å; L449-F453 HydrophobicContact CD1-CD1 3.81Å; L449-F453 HydrophobicContact CD1-CD2 4.48Å; L449-F453 HydrophobicContact CD1-CE1 3.66Å; L449-F453 HydrophobicContact CD1-CE2 4.34Å; L449-F453 HydrophobicContact CD1-CG 4.23Å; L449-F453 HydrophobicContact CD1-CZ 3.94Å; L449-F453 HydrophobicContact CD2-CD2 4.34Å; L449-F453 HydrophobicContact CD2-CG 4.42Å; L449-F453 HydrophobicContact CG-CD1 4.4Å; L449-F453 HydrophobicContact CG-CG 4.47Å; L449-F454 HydrophobicContact CB-CE2 3.91Å; L449-F454 HydrophobicContact CB-CZ 3.97Å; L449-F454 HydrophobicContact CD1-CZ 4.38Å; L449-V484 HydrophobicContact CD1-CB 4.17Å; L449-V484 HydrophobicContact CD1-CG1 3.69Å; L449-V484 HydrophobicContact CD1-CG2 4.24Å; L449-L513 HydrophobicContact CD1-CD1 4.33Å; L449-L513 HydrophobicContact CG-CD1 4.21Å
450	D	90.2	Very high	89.8	Confident	69 Å²	69	74.1 Å²	74.1	37%	0.369	40%	0.401	S	S	.	.			trans	-90.7	174.7	-175.1	70.6	8.3	0	0	0	112.4	R452 F453 F454	D450-R452 PolarHBondContact O-N 2.8Å; D450-R452 WeakPolarHBondContact OD1-CA 3.31Å; D450-R452 WeakPolarHBondContact OD1-CB 3.29Å; D450-R452 PolarHBondContact OD1-N 2.83Å; D450-F453 WeakPolarHBondContact O-CB 3.44Å; D450-F453 PolarHBondContact O-N 2.57Å; D450-F453 VanDerWaalsContact O-N 3.15Å; D450-F453 PolarHBondContact OD1-N 2.74Å; D450-F454 WeakPolarHBondContact O-CD2 3.48Å
451	R	92.1	Very high	90.1	Very high	80 Å²	80	72.7 Å²	72.7	30%	0.302	39%	0.393	S	S	.	.	H	α-helix	trans	-51.1	-39.2	175	-175.5	177.9	164.1	168.2	2.9	112.9	N387 Y390 F453 F454 M455	N387-R451 PolarHBondContact OD1-NH1 3.06Å; N387-R451 PolarHBondContact OD1-NH2 3.01Å; Y390-R451 HydrophobicContact CD1-CB 3.51Å; Y390-R451 HydrophobicContact CD1-CG 3.8Å; Y390-R451 HydrophobicContact CD2-CB 4.28Å; Y390-R451 HydrophobicContact CE1-CB 3.64Å; Y390-R451 HydrophobicContact CE1-CG 3.88Å; Y390-R451 HydrophobicContact CE2-CB 4.38Å; Y390-R451 HydrophobicContact CG-CB 3.87Å; R451-F453 VanDerWaalsContact C-N 3.32Å; R451-F453 PolarHBondContact O-N 2.65Å; R451-F454 PolarHBondContact O-N 2.96Å; R451-M455 HydrophobicContact CG-CG 4.35Å; R451-M455 HydrophobicContact CG-SD 3.99Å; R451-M455 WeakPolarHBondContact O-CG 3.43Å; R451-M455 PolarHBondContact O-N 2.72Å; R451-M455 VanDerWaalsContact O-N 3.11Å
452	R	91.5	Very high	90.7	Very high	178 Å²	178	73.2 Å²	73.2	67%	0.672	38%	0.376	S	S	*	.	H	α-helix	trans	-65.7	-38	-175.9	-178	178	-179.9	172.5	0.9	110.9	D450 F454 M455 I456	D450-R452 PolarHBondContact O-N 2.8Å; D450-R452 WeakPolarHBondContact OD1-CA 3.31Å; D450-R452 WeakPolarHBondContact OD1-CB 3.29Å; D450-R452 PolarHBondContact OD1-N 2.83Å; R452-F454 PolarHBondContact O-N 2.94Å; R452-M455 PolarHBondContact O-N 2.93Å; R452-I456 HydrophobicContact CG-CD1 3.61Å; R452-I456 HydrophobicContact CG-CG1 4.46Å; R452-I456 VanDerWaalsContact O-CG1 3.32Å; R452-I456 WeakPolarHBondContact O-CG1 3.4Å; R452-I456 PolarHBondContact O-N 2.89Å
453	F	93.5	Very high	91.2	Very high	19 Å²	19	68.5 Å²	68.5	8%	0.083	34%	0.343	C	S	.	.	H	α-helix	trans	-54.4	-52.6	174.6	175.2	-93.3	0	0	0	111.8	F437 P440 L449 D450 R451 M455 I456 N457 V484	F437-F453 HydrophobicContact CB-CE1 4Å; F437-F453 HydrophobicContact CB-CZ 4.19Å; F437-F453 HydrophobicContact CD1-CE1 4.4Å; F437-F453 HydrophobicContact CG-CE1 4.29Å; P440-F453 HydrophobicContact CG-CE2 4.36Å; L449-F453 HydrophobicContact CB-CB 4.17Å; L449-F453 HydrophobicContact CB-CD1 3.98Å; L449-F453 HydrophobicContact CB-CG 4.06Å; L449-F453 HydrophobicContact CD1-CD1 3.81Å; L449-F453 HydrophobicContact CD1-CD2 4.48Å; L449-F453 HydrophobicContact CD1-CE1 3.66Å; L449-F453 HydrophobicContact CD1-CE2 4.34Å; L449-F453 HydrophobicContact CD1-CG 4.23Å; L449-F453 HydrophobicContact CD1-CZ 3.94Å; L449-F453 HydrophobicContact CD2-CD2 4.34Å; L449-F453 HydrophobicContact CD2-CG 4.42Å; L449-F453 HydrophobicContact CG-CD1 4.4Å; L449-F453 HydrophobicContact CG-CG 4.47Å; D450-F453 WeakPolarHBondContact O-CB 3.44Å; D450-F453 PolarHBondContact O-N 2.57Å; D450-F453 VanDerWaalsContact O-N 3.15Å; D450-F453 PolarHBondContact OD1-N 2.74Å; R451-F453 VanDerWaalsContact C-N 3.32Å; R451-F453 PolarHBondContact O-N 2.65Å; F453-M455 VanDerWaalsContact C-N 3.31Å; F453-M455 PolarHBondContact O-N 3.18Å; F453-I456 PolarHBondContact O-N 2.86Å; F453-N457 WeakPolarHBondContact CD2-ND2 3.29Å; F453-N457 HydrophobicContact CE1-CB 4.42Å; F453-N457 HydrophobicContact CE2-CB 4.46Å; F453-N457 WeakPolarHBondContact CE2-ND2 3.34Å; F453-N457 HydrophobicContact CZ-CB 4.23Å; F453-N457 WeakPolarHBondContact O-CB 3.3Å; F453-N457 PolarHBondContact O-N 2.77Å; F453-N457 PolarHBondContact O-ND2 3.43Å; F453-V484 HydrophobicContact CE1-CG1 4.42Å
454	F	94.9	Very high	91.7	Very high	28 Å²	28	72.8 Å²	72.8	12%	0.123	37%	0.37	C	S	.	.	H	α-helix	trans	-73.5	-21.3	-176.4	-59.5	-73.9	0	0	0	113.7	F389 Y390 F437 L449 D450 R451 R452 I456 I486	F389-F454 HydrophobicContact CD1-CB 4.19Å; F389-F454 HydrophobicContact CD1-CD1 4.12Å; F389-F454 HydrophobicContact CD1-CD2 4.48Å; F389-F454 HydrophobicContact CD1-CG 4Å; F389-F454 HydrophobicContact CE1-CB 4.4Å; F389-F454 AromaticContact CE1-CD1 3.59Å; F389-F454 HydrophobicContact CE1-CD1 3.59Å; F389-F454 AromaticContact CE1-CE1 3.97Å; F389-F454 HydrophobicContact CE1-CE1 3.97Å; F389-F454 AromaticContact CE1-CG 3.97Å; F389-F454 HydrophobicContact CE1-CG 3.97Å; Y390-F454 VanDerWaalsContact CB-CD2 3.42Å; F437-F454 HydrophobicContact CD1-CD1 4.34Å; F437-F454 HydrophobicContact CD2-CD1 4.21Å; F437-F454 HydrophobicContact CD2-CE1 4.05Å; F437-F454 HydrophobicContact CE1-CD1 4.1Å; F437-F454 AromaticContact CE2-CD1 3.98Å; F437-F454 HydrophobicContact CE2-CD1 3.98Å; F437-F454 HydrophobicContact CE2-CE1 4.11Å; F437-F454 HydrophobicContact CG-CD1 4.4Å; F437-F454 HydrophobicContact CG-CE1 4.41Å; F437-F454 AromaticContact CZ-CD1 3.92Å; F437-F454 HydrophobicContact CZ-CD1 3.92Å; L449-F454 HydrophobicContact CB-CE2 3.91Å; L449-F454 HydrophobicContact CB-CZ 3.97Å; L449-F454 HydrophobicContact CD1-CZ 4.38Å; D450-F454 WeakPolarHBondContact O-CD2 3.48Å; R451-F454 PolarHBondContact O-N 2.96Å; R452-F454 PolarHBondContact O-N 2.94Å; F454-I456 VanDerWaalsContact C-N 3.35Å; F454-I486 HydrophobicContact CE1-CD1 3.81Å; F454-I486 HydrophobicContact CE1-CG1 3.82Å; F454-I486 HydrophobicContact CZ-CD1 3.69Å; F454-I486 HydrophobicContact CZ-CG1 4.18Å
455	M	93	Very high	92.3	Very high	123 Å²	123	72.1 Å²	72.1	61%	0.606	37%	0.369	S	S	*	.	H	α-helix	trans	-74.4	-26	172.5	-73.6	-176.9	67.5	0	0	113.1	R451 R452 F453	R451-M455 HydrophobicContact CG-CG 4.35Å; R451-M455 HydrophobicContact CG-SD 3.99Å; R451-M455 WeakPolarHBondContact O-CG 3.43Å; R451-M455 PolarHBondContact O-N 2.72Å; R451-M455 VanDerWaalsContact O-N 3.11Å; R452-M455 PolarHBondContact O-N 2.93Å; F453-M455 VanDerWaalsContact C-N 3.31Å; F453-M455 PolarHBondContact O-N 3.18Å
456	I	93.6	Very high	93.3	Very high	114 Å²	114	71.6 Å²	71.6	59%	0.585	36%	0.364	S	S	*	.	H	α-helix	trans	-100.3	-31.1	-175.3	-60	169.5	0	0	0	111.5	R452 F453 F454	R452-I456 HydrophobicContact CG-CD1 3.61Å; R452-I456 HydrophobicContact CG-CG1 4.46Å; R452-I456 VanDerWaalsContact O-CG1 3.32Å; R452-I456 WeakPolarHBondContact O-CG1 3.4Å; R452-I456 PolarHBondContact O-N 2.89Å; F453-I456 PolarHBondContact O-N 2.86Å; F454-I456 VanDerWaalsContact C-N 3.35Å
457	N	94	Very high	93.8	Very high	54 Å²	54	68.3 Å²	68.3	29%	0.289	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-101.2	138.1	-177.3	-63	-83.4	0	0	0	110.9	F437 F453	F437-N457 HydrophobicContact CD1-CB 4.34Å; F437-N457 WeakPolarHBondContact CE1-O 3.18Å; F453-N457 WeakPolarHBondContact CD2-ND2 3.29Å; F453-N457 HydrophobicContact CE1-CB 4.42Å; F453-N457 HydrophobicContact CE2-CB 4.46Å; F453-N457 WeakPolarHBondContact CE2-ND2 3.34Å; F453-N457 HydrophobicContact CZ-CB 4.23Å; F453-N457 WeakPolarHBondContact O-CB 3.3Å; F453-N457 PolarHBondContact O-N 2.77Å; F453-N457 PolarHBondContact O-ND2 3.43Å
458	S	94.6	Very high	94	Very high	104 Å²	104	68.1 Å²	68.1	73%	0.727	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-93.6	149.9	171.9	-57.2	0	0	0	0	111.1
459	S	96.7	Very high	94	Very high	38 Å²	38	68.7 Å²	68.7	27%	0.266	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-64	134.8	173.9	60.5	0	0	0	0	110.4	V436 F437 R462	V436-S459 CarbonylContact O-C 3.6Å; V436-S459 VanDerWaalsContact O-CA 3.26Å; V436-S459 WeakPolarHBondContact O-CA 3.33Å; F437-S459 VanDerWaalsContact CE1-N 3.3Å; S459-R462 WeakPolarHBondContact OG-CD 3.34Å
460	V	97	Very high	94.1	Very high	75 Å²	75	69 Å²	69	46%	0.455	36%	0.355	S	S	.	.	S	Bend	trans	-86.4	-23.9	175	-66.3	0	0	0	0	112.7	V436 R438 L478 Y483	V436-V460 HydrophobicContact CB-CG2 4.35Å; V436-V460 HydrophobicContact CG1-CG2 4.18Å; V436-V460 WeakPolarHBondContact O-CG2 3.49Å; V436-V460 PolarHBondContact O-N 3.21Å; R438-V460 HydrophobicContact CB-CG1 4.11Å; V460-L478 HydrophobicContact CG2-CD2 4.09Å; V460-Y483 HydrophobicContact CG2-CD1 3.89Å; V460-Y483 HydrophobicContact CG2-CE1 3.75Å
461	A	96.8	Very high	94.3	Very high	12 Å²	12	66.3 Å²	66.3	10%	0.099	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	158.5	176.7	0	0	0	0	0	109.6	V436 H476 L478	V436-A461 HydrophobicContact CB-CB 4.02Å; V436-A461 HydrophobicContact CG2-CB 4.13Å; V436-A461 PolarHBondContact N-O 3.2Å; V436-A461 PolarHBondContact O-N 3.1Å; A461-H476 HydrophobicContact CB-CB 4.28Å; A461-L478 HydrophobicContact CB-CD2 4.21Å
462	R	97	Very high	94.5	Very high	156 Å²	156	62.8 Å²	62.8	59%	0.589	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.7	159.7	-176.5	-49.2	-170.3	-67.1	-174.2	1.4	109	Y434 S459 H476	Y434-R462 CarbonylContact O-C 3.54Å; Y434-R462 WeakPolarHBondContact O-CA 3.3Å; S459-R462 WeakPolarHBondContact OG-CD 3.34Å; R462-H476 PolarHBondContact O-CE1 3.46Å
463	S	96.4	Very high	94.7	Very high	9 Å²	9	55 Å²	55	6%	0.063	30%	0.301	C	S	.	.			trans	-55.5	147.5	166.1	58.6	0	0	0	0	110.3	G433 Y434 A465	G433-S463 WeakPolarHBondContact CA-OG 3.47Å; Y434-S463 PolarHBondContact N-OG 2.88Å; Y434-S463 PolarHBondContact O-N 2.92Å; S463-A465 WeakPolarHBondContact CB-O 3.46Å; S463-A465 PolarHBondContact O-N 2.96Å; S463-A465 PolarHBondContact OG-O 3.37Å
464	P	91.9	Very high	94.6	Very high	103 Å²	103	54.4 Å²	54.4	67%	0.669	30%	0.3	S	S	*	.	S	Bend	trans	-56.7	-34.8	-177.9	-26.5	35	0	0	0	113.1	C473	P464-C473 WeakPolarHBondContact CD-O 3.19Å; P464-C473 WeakPolarHBondContact CG-O 3.46Å
465	A	92.4	Very high	94.4	Very high	48 Å²	48	59 Å²	59	40%	0.397	32%	0.316	S	S	.	.			trans	-146.5	165.9	171.7	0	0	0	0	0	110.3	S463	S463-A465 WeakPolarHBondContact CB-O 3.46Å; S463-A465 PolarHBondContact O-N 2.96Å; S463-A465 PolarHBondContact OG-O 3.37Å
466	F	96.1	Very high	94.4	Very high	58 Å²	58	54.3 Å²	54.3	25%	0.254	29%	0.293	S	S	.	.			trans	-93.7	121.6	157.6	-91.6	-99.3	0	0	0	107.2	C382 V431 I432 G433 C488 F490	C382-F466 HydrophobicContact CB-CE1 3.7Å; C382-F466 HydrophobicContact CB-CE2 4.35Å; C382-F466 HydrophobicContact CB-CZ 3.6Å; V431-F466 HydrophobicContact CG1-CB 3.82Å; I432-F466 WeakPolarHBondContact O-CA 3.26Å; G433-F466 VanDerWaalsContact CA-CE1 3.49Å; F466-C488 VanDerWaalsContact CZ-SG 3.55Å; F466-F490 HydrophobicContact CB-CD2 3.97Å; F466-F490 HydrophobicContact CD1-CB 4.01Å; F466-F490 AromaticContact CD1-CD2 3.9Å; F466-F490 HydrophobicContact CD1-CD2 3.9Å; F466-F490 HydrophobicContact CD1-CG 4.47Å; F466-F490 AromaticContact CG-CD2 3.97Å; F466-F490 HydrophobicContact CG-CD2 3.97Å
467	I	94	Very high	94.3	Very high	43 Å²	43	55 Å²	55	22%	0.221	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-146.8	144.8	-167.5	-171.5	156	0	0	0	111.7	I432 M469 V472	I432-I467 PolarHBondContact N-O 2.63Å; I432-I467 PolarHBondContact O-N 3.36Å; I432-I467 VanDerWaalsContact O-N 3.12Å; I467-M469 HydrophobicContact CB-CE 4.22Å; I467-M469 HydrophobicContact CD1-CE 3.39Å; I467-M469 HydrophobicContact CD1-CG 4.27Å; I467-M469 HydrophobicContact CD1-SD 3.97Å; I467-M469 HydrophobicContact CG1-CE 3.75Å; I467-M469 HydrophobicContact CG1-CG 4.01Å; I467-M469 HydrophobicContact CG1-SD 4.34Å; I467-M469 HydrophobicContact CG2-CB 4.46Å; I467-M469 HydrophobicContact CG2-CE 3.5Å; I467-M469 VanDerWaalsContact CG2-CE 3.5Å; I467-M469 PolarHBondContact O-N 2.93Å; I467-V472 HydrophobicContact CG2-CB 4.17Å; I467-V472 HydrophobicContact CG2-CG2 4.13Å
468	N	93.3	Very high	94.2	Very high	95 Å²	95	53 Å²	53	51%	0.508	28%	0.281	S	S	.	.	S	Bend	trans	-82.3	56	178	61.8	-31.9	0	0	0	112	P429 H430 V431	P429-N468 WeakPolarHBondContact O-CB 3.29Å; H430-N468 WeakPolarHBondContact O-CA 3.43Å; V431-N468 HydrophobicContact CG2-CB 3.99Å
469	M	92.3	Very high	94.1	Very high	26 Å²	26	53.2 Å²	53.2	13%	0.128	27%	0.268	C	S	.	.	S	Bend	trans	-115.1	161.6	173.4	-74.8	-177.9	-51	0	0	110.8	L210 Q419 I467 E471	L210-M469 HydrophobicContact CD1-CE 3.12Å; L210-M469 HydrophobicContact CD1-SD 3.6Å; Q419-M469 PolarHBondContact NE2-O 3.19Å; I467-M469 HydrophobicContact CB-CE 4.22Å; I467-M469 HydrophobicContact CD1-CE 3.39Å; I467-M469 HydrophobicContact CD1-CG 4.27Å; I467-M469 HydrophobicContact CD1-SD 3.97Å; I467-M469 HydrophobicContact CG1-CE 3.75Å; I467-M469 HydrophobicContact CG1-CG 4.01Å; I467-M469 HydrophobicContact CG1-SD 4.34Å; I467-M469 HydrophobicContact CG2-CB 4.46Å; I467-M469 HydrophobicContact CG2-CE 3.5Å; I467-M469 VanDerWaalsContact CG2-CE 3.5Å; I467-M469 PolarHBondContact O-N 2.93Å; M469-E471 VanDerWaalsContact C-N 3.27Å; M469-E471 PolarHBondContact O-N 3.34Å
470	R	94.8	Very high	93.8	Very high	16 Å²	16	54 Å²	54	6%	0.06	27%	0.273	C	S	.	.	S	Bend	trans	-58.6	-39.3	177.2	-167.7	179.3	78.5	164.1	14.8	112.4	E198 E201 D202 M418 Q419	E198-R470 HydrophobicContact CG-CB 3.83Å; E198-R470 HydrophobicContact CG-CG 4.49Å; E198-R470 PolarHBondContact O-NH1 2.88Å; E198-R470 PolarHBondContact O-NH2 2.94Å; E201-R470 IonicContact OE2-CZ 3.3Å; E201-R470 IonicContact OE2-NE 3.12Å; E201-R470 PolarHBondContact OE2-NE 2.62Å; E201-R470 IonicContact OE2-NH2 2.75Å; E201-R470 PolarHBondContact OE2-NH2 2.9Å; D202-R470 VanDerWaalsContact CG-NH1 3.3Å; D202-R470 IonicContact OD1-CZ 3.18Å; D202-R470 VanDerWaalsContact OD1-CZ 3.25Å; D202-R470 IonicContact OD1-NH1 3.2Å; D202-R470 PolarHBondContact OD1-NH1 2.95Å; D202-R470 IonicContact OD1-NH2 2.71Å; D202-R470 PolarHBondContact OD1-NH2 3.04Å; D202-R470 IonicContact OD2-NH1 3.41Å; D202-R470 PolarHBondContact OD2-NH1 2.86Å; M418-R470 CarbonylContact C-O 3.51Å; M418-R470 VanDerWaalsContact CA-O 3.26Å; M418-R470 WeakPolarHBondContact CA-O 3.47Å; M418-R470 HydrophobicContact CG-CG 4.24Å; Q419-R470 WeakPolarHBondContact CG-O 3.36Å; Q419-R470 PolarHBondContact N-O 3.05Å
471	E	95.3	Very high	93.6	Very high	14 Å²	14	51.3 Å²	51.3	7%	0.065	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144	174.4	-172.1	173.2	-126	0	0	111.4	E201 L417 M418 M469 R501	E201-E471 VanDerWaalsContact OE1-OE2 3.07Å; L417-E471 VanDerWaalsContact O-CA 3.29Å; L417-E471 WeakPolarHBondContact O-CA 3.44Å; L417-E471 WeakPolarHBondContact O-CG 3.45Å; M418-E471 HydrophobicContact CB-CB 4Å; M418-E471 HydrophobicContact CB-CG 3.93Å; M418-E471 HydrophobicContact CE-CB 4.05Å; M418-E471 HydrophobicContact CE-CG 4.32Å; M418-E471 HydrophobicContact CG-CB 4.19Å; M469-E471 VanDerWaalsContact C-N 3.27Å; M469-E471 PolarHBondContact O-N 3.34Å; E471-R501 IonicContact OE1-CZ 2.69Å; E471-R501 VanDerWaalsContact OE1-CZ 3.24Å; E471-R501 IonicContact OE1-NE 3.45Å; E471-R501 PolarHBondContact OE1-NE 2.89Å; E471-R501 IonicContact OE1-NH2 2.83Å; E471-R501 PolarHBondContact OE1-NH2 3.12Å; E471-R501 IonicContact OE2-CZ 2.7Å; E471-R501 IonicContact OE2-NH2 2.65Å; E471-R501 PolarHBondContact OE2-NH2 2.83Å
472	V	95.3	Very high	93.4	Very high	6 Å²	6	53.9 Å²	53.9	4%	0.036	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.3	165.3	61.9	0	0	0	0	109.6	G416 L417 I432 Y434 I467	G416-V472 WeakPolarHBondContact CA-O 3.32Å; L417-V472 HydrophobicContact CB-CG1 3.99Å; L417-V472 HydrophobicContact CD2-CG1 4.49Å; L417-V472 PolarHBondContact N-O 3.19Å; L417-V472 PolarHBondContact O-N 2.84Å; I432-V472 HydrophobicContact CD1-CG1 4.29Å; I432-V472 HydrophobicContact CG1-CG1 4.17Å; Y434-V472 HydrophobicContact CD1-CG1 4.38Å; I467-V472 HydrophobicContact CG2-CB 4.17Å; I467-V472 HydrophobicContact CG2-CG2 4.13Å
473	C	94.9	Very high	93.3	Very high	15 Å²	15	46.7 Å²	46.7	10%	0.101	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	145.3	-179.6	-174.9	0	0	0	0	110.8	L207 T208 V415 P464	L207-C473 HydrophobicContact CD1-CB 4.42Å; T208-C473 WeakPolarHBondContact O-CB 3.21Å; V415-C473 CarbonylContact O-C 3.59Å; V415-C473 WeakPolarHBondContact O-CA 3.2Å; P464-C473 WeakPolarHBondContact CD-O 3.19Å; P464-C473 WeakPolarHBondContact CG-O 3.46Å
474	G	93	Very high	93.3	Very high	5 Å²	5	46.3 Å²	46.3	5%	0.052	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	143.2	173.2	0	0	0	0	0	112.5	V414 V415 Y434 H476	V414-G474 WeakPolarHBondContact CA-O 3.43Å; V415-G474 PolarHBondContact N-O 3.32Å; V415-G474 PolarHBondContact O-N 2.98Å; Y434-G474 WeakPolarHBondContact OH-CA 3.3Å; Y434-G474 PolarHBondContact OH-N 2.99Å; Y434-G474 VanDerWaalsContact OH-N 3.15Å; Y434-G474 PolarHBondContact OH-O 2.96Å; G474-H476 PolarHBondContact O-NE2 2.93Å
475	R	90.9	Very high	93.6	Very high	126 Å²	126	41.4 Å²	41.4	48%	0.475	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.7	180	-178.5	-180	-59	-172.5	2.9	110.4	E209 T412 V414	E209-R475 VanDerWaalsContact CD-NH2 3.31Å; E209-R475 IonicContact OE1-CZ 2.73Å; E209-R475 IonicContact OE1-NE 2.73Å; E209-R475 PolarHBondContact OE1-NE 2.61Å; E209-R475 IonicContact OE1-NH2 2.66Å; E209-R475 PolarHBondContact OE1-NH2 2.7Å; E209-R475 IonicContact OE2-CZ 2.85Å; E209-R475 IonicContact OE2-NE 3.2Å; E209-R475 IonicContact OE2-NH2 3.76Å; E209-R475 PolarHBondContact OE2-NH2 3.19Å; T412-R475 HydrophobicContact CG2-CG 3.98Å; V414-R475 HydrophobicContact CG1-CB 4.49Å; V414-R475 HydrophobicContact CG2-CB 4.42Å; V414-R475 HydrophobicContact CG2-CG 4.17Å
476	H	92	Very high	93.9	Very high	24 Å²	24	39.1 Å²	39.1	11%	0.111	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	137.8	-174.8	-51.9	-65.4	0	0	0	110.6	T412 L413 Y434 A461 R462 G474 L478	T412-H476 WeakPolarHBondContact CA-O 3.44Å; L413-H476 PolarHBondContact N-O 3.03Å; L413-H476 PolarHBondContact O-N 3.45Å; Y434-H476 AromaticContact CE2-NE2 3.48Å; Y434-H476 WeakPolarHBondContact CE2-NE2 3.47Å; Y434-H476 AromaticContact CZ-NE2 3.62Å; Y434-H476 PolarHBondContact OH-NE2 3.4Å; A461-H476 HydrophobicContact CB-CB 4.28Å; R462-H476 PolarHBondContact O-CE1 3.46Å; G474-H476 PolarHBondContact O-NE2 2.93Å; H476-L478 HydrophobicContact CB-CD1 4.38Å; H476-L478 HydrophobicContact CB-CG 4.14Å
477	K	90.7	Very high	94	Very high	127 Å²	127	36.3 Å²	36.3	55%	0.552	18%	0.178	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	117	164.8	-77.9	-164.9	165.3	-157.6	0	108.6	D408 Y410	D408-K477 IonicContact OD2-NZ 3.74Å; D408-K477 PolarHBondContact OD2-NZ 2.82Å; Y410-K477 HydrophobicContact CD1-CB 4.36Å; Y410-K477 HydrophobicContact CG-CB 4.46Å
478	L	92.7	Very high	94.2	Very high	12 Å²	12	34.3 Å²	34.3	6%	0.063	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	145	-175.2	-63.3	176.4	0	0	0	110.3	V399 Y410 G411 L413 V436 V460 A461 H476 Y483	V399-L478 HydrophobicContact CG1-CB 4.28Å; V399-L478 HydrophobicContact CG2-CB 4.38Å; V399-L478 HydrophobicContact CG2-CD1 4.32Å; Y410-L478 CarbonylContact C-O 3.57Å; Y410-L478 WeakPolarHBondContact CA-O 3.36Å; Y410-L478 VanDerWaalsContact CD1-C 3.4Å; G411-L478 PolarHBondContact N-O 3.25Å; G411-L478 PolarHBondContact O-N 2.86Å; L413-L478 HydrophobicContact CD2-CD1 4.05Å; V436-L478 HydrophobicContact CG1-CD1 4.23Å; V460-L478 HydrophobicContact CG2-CD2 4.09Å; A461-L478 HydrophobicContact CB-CD2 4.21Å; H476-L478 HydrophobicContact CB-CD1 4.38Å; H476-L478 HydrophobicContact CB-CG 4.14Å; L478-Y483 HydrophobicContact CB-CE2 4.34Å; L478-Y483 HydrophobicContact CD1-CD1 4.3Å; L478-Y483 HydrophobicContact CD1-CE1 4.27Å; L478-Y483 HydrophobicContact CD1-CG 4.49Å
479	K	92.5	Very high	94.4	Very high	109 Å²	109	29.8 Å²	29.8	47%	0.474	14%	0.143	S	C	.	.			trans	-63.5	152.9	173.8	-67.1	-170.2	176.6	-172.4	0	109.6	Y410 G481 Y483	Y410-K479 HydrophobicContact CD1-CG 3.96Å; Y410-K479 HydrophobicContact CE1-CD 4.47Å; Y410-K479 HydrophobicContact CE1-CG 3.47Å; Y410-K479 VanDerWaalsContact CE1-CG 3.47Å; Y410-K479 WeakPolarHBondContact OH-CE 3.41Å; K479-G481 PolarHBondContact O-N 2.61Å; K479-Y483 VanDerWaalsContact O-CE2 3.31Å; K479-Y483 WeakPolarHBondContact O-CE2 3.28Å; K479-Y483 PolarHBondContact O-OH 2.66Å
480	P	91.3	Very high	94.7	Very high	54 Å²	54	32 Å²	32	35%	0.351	15%	0.152	S	C	.	.	S	Bend	trans	-55.3	141.4	173.5	-28.9	36.7	0	0	0	113.1	V399 D401 G409	V399-P480 CarbonylContact O-C 3.54Å; V399-P480 VanDerWaalsContact O-CA 3.22Å; V399-P480 WeakPolarHBondContact O-CA 3.39Å; D401-P480 HydrophobicContact CB-CG 3.72Å; G409-P480 VanDerWaalsContact O-CD 3.26Å; G409-P480 WeakPolarHBondContact O-CD 3.4Å
481	G	91.6	Very high	94.9	Very high	20 Å²	20	34.2 Å²	34.2	21%	0.206	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.3	-170.1	177.3	0	0	0	0	0	114.2	V399 K479 Y483	V399-G481 PolarHBondContact N-O 2.87Å; V399-G481 PolarHBondContact O-N 3.14Å; K479-G481 PolarHBondContact O-N 2.61Å; G481-Y483 VanDerWaalsContact O-CD2 3.27Å; G481-Y483 WeakPolarHBondContact O-CD2 3.22Å; G481-Y483 WeakPolarHBondContact O-CE2 3.27Å
482	H	93.2	Very high	95	Very high	65 Å²	65	35.3 Å²	35.3	30%	0.301	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	135.9	-176.9	-62.8	-83.6	0	0	0	112.1	H396 M439	H396-H482 AromaticContact CE1-ND1 3.62Å; H396-H482 AromaticContact NE2-CE1 3.9Å; H396-H482 AromaticContact NE2-CG 3.68Å; H396-H482 AromaticContact NE2-ND1 2.87Å; H396-H482 PolarHBondContact NE2-ND1 3.11Å; M439-H482 HydrophobicContact CB-CB 4.15Å; M439-H482 PolarHBondContact N-O 2.86Å
483	Y	95.2	Very high	95	Very high	6 Å²	6	37.2 Å²	37.2	2%	0.024	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	160.6	-179.1	-64.4	-90.1	0	0	0	110.7	H396 V397 V399 V436 F437 R438 V460 L478 K479 G481	H396-Y483 CarbonylContact C-O 3.19Å; H396-Y483 WeakPolarHBondContact CA-O 3.32Å; V397-Y483 PolarHBondContact N-O 3.39Å; V397-Y483 PolarHBondContact O-N 3.4Å; V399-Y483 HydrophobicContact CB-CD2 4.06Å; V399-Y483 HydrophobicContact CB-CE2 3.9Å; V399-Y483 HydrophobicContact CG2-CD2 3.58Å; V399-Y483 HydrophobicContact CG2-CE2 3.81Å; V436-Y483 HydrophobicContact CG1-CD1 4.02Å; V436-Y483 HydrophobicContact CG1-CG 4.31Å; F437-Y483 CarbonylContact O-C 3.59Å; F437-Y483 WeakPolarHBondContact O-CA 3.47Å; R438-Y483 HydrophobicContact CB-CD1 4Å; R438-Y483 HydrophobicContact CB-CE1 3.7Å; R438-Y483 HydrophobicContact CG-CD1 4.28Å; R438-Y483 HydrophobicContact CG-CE1 3.78Å; V460-Y483 HydrophobicContact CG2-CD1 3.89Å; V460-Y483 HydrophobicContact CG2-CE1 3.75Å; L478-Y483 HydrophobicContact CB-CE2 4.34Å; L478-Y483 HydrophobicContact CD1-CD1 4.3Å; L478-Y483 HydrophobicContact CD1-CE1 4.27Å; L478-Y483 HydrophobicContact CD1-CG 4.49Å; K479-Y483 VanDerWaalsContact O-CE2 3.31Å; K479-Y483 WeakPolarHBondContact O-CE2 3.28Å; K479-Y483 PolarHBondContact O-OH 2.66Å; G481-Y483 VanDerWaalsContact O-CD2 3.27Å; G481-Y483 WeakPolarHBondContact O-CD2 3.22Å; G481-Y483 WeakPolarHBondContact O-CE2 3.27Å
484	V	96.4	Very high	95	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	130.9	169.6	66.5	0	0	0	0	109.4	Q394 F395 V436 F437 M439 L449 F453 I486 L513	Q394-V484 HydrophobicContact CB-CG2 3.84Å; F395-V484 CarbonylContact O-C 3.5Å; F395-V484 VanDerWaalsContact O-CA 3.27Å; F395-V484 WeakPolarHBondContact O-CA 3.36Å; V436-V484 WeakPolarHBondContact CA-O 3.29Å; F437-V484 HydrophobicContact CB-CG1 3.77Å; F437-V484 PolarHBondContact N-O 3.21Å; F437-V484 PolarHBondContact O-N 2.86Å; M439-V484 HydrophobicContact CG-CB 4.33Å; M439-V484 HydrophobicContact CG-CG1 4.41Å; M439-V484 HydrophobicContact SD-CB 4.24Å; L449-V484 HydrophobicContact CD1-CB 4.17Å; L449-V484 HydrophobicContact CD1-CG1 3.69Å; L449-V484 HydrophobicContact CD1-CG2 4.24Å; F453-V484 HydrophobicContact CE1-CG1 4.42Å; V484-I486 HydrophobicContact CG1-CD1 4.35Å; V484-I486 HydrophobicContact CG2-CD1 3.77Å; V484-L513 HydrophobicContact CG2-CD1 3.84Å
485	I	97.8	Very high	95.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.4	175.2	-54.3	174.1	0	0	0	108	F395 V397 L413 V415 Y434 V436 P487 L500 I502	F395-I485 HydrophobicContact CB-CB 4.49Å; F395-I485 PolarHBondContact N-O 3.11Å; F395-I485 PolarHBondContact O-N 3.03Å; V397-I485 HydrophobicContact CG1-CD1 4Å; V397-I485 HydrophobicContact CG1-CG1 4.07Å; L413-I485 HydrophobicContact CD2-CD1 4.4Å; V415-I485 HydrophobicContact CG1-CD1 4.29Å; V415-I485 HydrophobicContact CG1-CG2 4.25Å; V415-I485 HydrophobicContact CG2-CD1 3.84Å; Y434-I485 HydrophobicContact CD2-CG2 4.43Å; Y434-I485 HydrophobicContact CG-CG2 4.47Å; V436-I485 HydrophobicContact CG1-CG1 4.46Å; V436-I485 HydrophobicContact CG2-CG1 4.29Å; I485-P487 VanDerWaalsContact O-CD 3.3Å; I485-P487 WeakPolarHBondContact O-CD 3.37Å; I485-L500 HydrophobicContact CB-CD2 4.32Å; I485-L500 HydrophobicContact CD1-CD2 4.49Å; I485-L500 HydrophobicContact CG2-CD1 4.23Å; I485-L500 HydrophobicContact CG2-CD2 4.07Å; I485-I502 HydrophobicContact CD1-CD1 3.78Å; I485-I502 HydrophobicContact CD1-CG1 4.03Å
486	I	98.1	Very high	95.3	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	93.9	178.5	-46.2	-61.9	0	0	0	108.8	F389 N392 Q394 Y434 S435 F437 F454 V484	F389-I486 HydrophobicContact CE1-CB 4.5Å; F389-I486 HydrophobicContact CE1-CG1 4.34Å; F389-I486 HydrophobicContact CE1-CG2 4.18Å; F389-I486 HydrophobicContact CE2-CB 4.34Å; F389-I486 HydrophobicContact CE2-CG2 3.76Å; F389-I486 HydrophobicContact CZ-CB 3.78Å; F389-I486 HydrophobicContact CZ-CG1 4.04Å; F389-I486 HydrophobicContact CZ-CG2 3.54Å; N392-I486 HydrophobicContact CB-CG2 3.7Å; Q394-I486 HydrophobicContact CB-CD1 3.84Å; Q394-I486 HydrophobicContact CG-CD1 3.73Å; Y434-I486 VanDerWaalsContact CA-O 3.26Å; Y434-I486 WeakPolarHBondContact CA-O 3.06Å; S435-I486 PolarHBondContact N-O 2.65Å; S435-I486 VanDerWaalsContact N-O 3.11Å; S435-I486 PolarHBondContact O-N 3.03Å; F437-I486 HydrophobicContact CD2-CG1 4.11Å; F437-I486 HydrophobicContact CE2-CG1 4.15Å; F454-I486 HydrophobicContact CE1-CD1 3.81Å; F454-I486 HydrophobicContact CE1-CG1 3.82Å; F454-I486 HydrophobicContact CZ-CD1 3.69Å; F454-I486 HydrophobicContact CZ-CG1 4.18Å; V484-I486 HydrophobicContact CG1-CD1 4.35Å; V484-I486 HydrophobicContact CG2-CD1 3.77Å
487	P	98.5	Very high	95.5	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	132	170.4	30.1	-35	0	0	0	110.7	W373 P393 F395 L417 I485 F498	W373-P487 HydrophobicContact CZ2-CB 4.14Å; W373-P487 PolarHBondContact NE1-O 3.29Å; P393-P487 WeakPolarHBondContact O-CD 3.25Å; F395-P487 HydrophobicContact CD2-CG 3.87Å; F395-P487 HydrophobicContact CE2-CG 3.69Å; L417-P487 HydrophobicContact CD1-CB 3.55Å; L417-P487 HydrophobicContact CD2-CB 3.71Å; L417-P487 HydrophobicContact CG-CB 4.25Å; I485-P487 VanDerWaalsContact O-CD 3.3Å; I485-P487 WeakPolarHBondContact O-CD 3.37Å; P487-F498 HydrophobicContact CB-CD2 4.46Å; P487-F498 HydrophobicContact CB-CE2 4.03Å; P487-F498 HydrophobicContact CB-CZ 4.2Å; P487-F498 HydrophobicContact CG-CD2 4.48Å; P487-F498 HydrophobicContact CG-CE1 4.48Å; P487-F498 HydrophobicContact CG-CE2 3.61Å; P487-F498 HydrophobicContact CG-CZ 3.6Å
488	C	98.4	Very high	95.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	153	-177.5	57.5	0	0	0	0	112.5	N392 G433 F466	N392-C488 HydrophobicContact CB-CB 4.49Å; G433-C488 PolarHBondContact N-O 3.36Å; G433-C488 PolarHBondContact O-N 3.05Å; F466-C488 VanDerWaalsContact CZ-SG 3.55Å
489	T	98.4	Very high	96	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	162.8	158.8	51.6	0	0	0	0	110.1	W373 G381 C382 H430 V431 I432 N491 E494	W373-T489 HydrophobicContact CD2-CG2 3.93Å; W373-T489 HydrophobicContact CE3-CG2 3.67Å; W373-T489 HydrophobicContact CG-CG2 4.46Å; W373-T489 HydrophobicContact CZ3-CG2 3.98Å; G381-T489 CarbonylContact C-O 3.56Å; G381-T489 VanDerWaalsContact CA-O 3.29Å; G381-T489 WeakPolarHBondContact CA-O 3.32Å; C382-T489 PolarHBondContact N-O 3.42Å; H430-T489 HydrophobicContact CB-CG2 4.11Å; V431-T489 CarbonylContact O-C 3.59Å; V431-T489 WeakPolarHBondContact O-CA 3.42Å; I432-T489 HydrophobicContact CG2-CG2 4.23Å; T489-N491 PolarHBondContact OG1-O 3.16Å; T489-E494 WeakPolarHBondContact CB-OE2 3.42Å; T489-E494 HydrophobicContact CG2-CB 3.77Å
490	F	98.2	Very high	96.2	Very high	72 Å²	72	30.8 Å²	30.8	32%	0.316	16%	0.16	S	C	.	.	S	Bend	trans	-67.2	-52.1	176.8	-173.3	-93.7	0	0	0	110.4	C382 F385 V431 F466	C382-F490 PolarHBondContact N-O 2.92Å; C382-F490 PolarHBondContact SG-O 2.87Å; F385-F490 VanDerWaalsContact CE2-O 3.25Å; F385-F490 WeakPolarHBondContact CE2-O 3.46Å; V431-F490 HydrophobicContact CB-CB 3.79Å; V431-F490 HydrophobicContact CG1-CB 3.72Å; V431-F490 HydrophobicContact CG1-CD2 4.47Å; V431-F490 HydrophobicContact CG1-CG 4.28Å; V431-F490 PolarHBondContact O-N 3.13Å; F466-F490 HydrophobicContact CB-CD2 3.97Å; F466-F490 HydrophobicContact CD1-CB 4.01Å; F466-F490 AromaticContact CD1-CD2 3.9Å; F466-F490 HydrophobicContact CD1-CD2 3.9Å; F466-F490 HydrophobicContact CD1-CG 4.47Å; F466-F490 AromaticContact CG-CD2 3.97Å; F466-F490 HydrophobicContact CG-CD2 3.97Å
491	N	98.1	Very high	96.3	Very high	64 Å²	64	28.3 Å²	28.3	34%	0.342	14%	0.143	S	C	.	.	S	Bend	trans	-93.2	149.1	177.6	-56.4	-57.9	0	0	0	111.3	T489 E494	T489-N491 PolarHBondContact OG1-O 3.16Å; N491-E494 HydrophobicContact CB-CG 4.33Å; N491-E494 WeakPolarHBondContact CB-OE1 3.36Å; N491-E494 PolarHBondContact ND2-OE1 3.32Å
492	P	97.2	Very high	96.3	Very high	36 Å²	36	27.3 Å²	27.3	23%	0.234	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	161.3	169.8	30.1	-34.9	0	0	0	111.3	A379 F385 E494	A379-P492 CarbonylContact O-C 3.57Å; A379-P492 VanDerWaalsContact O-CA 3.29Å; A379-P492 WeakPolarHBondContact O-CA 3.31Å; F385-P492 HydrophobicContact CD1-CG 4.02Å; F385-P492 HydrophobicContact CE1-CG 4.18Å; F385-P492 HydrophobicContact CG-CG 4.25Å; P492-E494 PolarHBondContact O-N 3.01Å
493	N	95.9	Very high	96	Very high	47 Å²	47	24.8 Å²	24.8	25%	0.251	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	11.9	177	-66.7	-39.1	0	0	0	116.7	R375 N376 A379 F628	R375-N493 HydrophobicContact CG-CB 4.1Å; N376-N493 PolarHBondContact N-OD1 2.68Å; N376-N493 PolarHBondContact OD1-OD1 3.27Å; A379-N493 PolarHBondContact O-N 3.23Å; N493-F628 WeakPolarHBondContact OD1-CE2 3.43Å; N493-F628 VanDerWaalsContact OD1-CZ 3.24Å; N493-F628 WeakPolarHBondContact OD1-CZ 3.48Å
494	E	95.8	Very high	95.5	Very high	41 Å²	41	24.9 Å²	24.9	19%	0.192	12%	0.123	C	C	.	.			trans	-80	123.5	166.8	-73	176.8	178.2	0	0	109.7	W373 A379 T489 N491 P492	W373-E494 WeakPolarHBondContact CB-O 3.32Å; A379-E494 WeakPolarHBondContact CB-O 3.31Å; T489-E494 WeakPolarHBondContact CB-OE2 3.42Å; T489-E494 HydrophobicContact CG2-CB 3.77Å; N491-E494 HydrophobicContact CB-CG 4.33Å; N491-E494 WeakPolarHBondContact CB-OE1 3.36Å; N491-E494 PolarHBondContact ND2-OE1 3.32Å; P492-E494 PolarHBondContact O-N 3.01Å
495	E	94.2	Very high	94.4	Very high	96 Å²	96	27 Å²	27	45%	0.449	13%	0.133	S	C	.	.			trans	-100.4	126.4	-174.7	-63.5	-172.8	120.2	0	0	111.5	W373 R375 H430	W373-E495 VanDerWaalsContact O-CA 3.3Å; W373-E495 WeakPolarHBondContact O-CA 3.29Å; R375-E495 VanDerWaalsContact CB-CD 3.49Å; R375-E495 HydrophobicContact CB-CG 3.74Å; R375-E495 VanDerWaalsContact CB-OE1 3.22Å; R375-E495 WeakPolarHBondContact CB-OE1 3.45Å; R375-E495 PolarHBondContact N-OE1 3.43Å; H430-E495 PolarHBondContact NE2-O 3.14Å
496	A	95.4	Very high	93.3	Very high	13 Å²	13	32.9 Å²	32.9	11%	0.107	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	155.1	167.2	0	0	0	0	0	110.7	E372 W373	E372-A496 WeakPolarHBondContact CA-O 3.24Å; W373-A496 HydrophobicContact CE3-CB 3.94Å; W373-A496 HydrophobicContact CZ3-CB 4.18Å; W373-A496 PolarHBondContact N-O 3.32Å; W373-A496 PolarHBondContact O-N 3.2Å
497	K	96.4	Very high	92.2	Very high	129 Å²	129	36.5 Å²	36.5	56%	0.561	19%	0.185	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83	149.3	162.6	-64.7	-172.7	175.7	-171.2	0	108.7	G371 E372 K420	G371-K497 CarbonylContact O-C 3.58Å; G371-K497 WeakPolarHBondContact O-CA 3.3Å; E372-K497 HydrophobicContact CB-CG 4.16Å; K420-K497 HydrophobicContact CB-CB 4.18Å; K420-K497 HydrophobicContact CD-CB 4.36Å; K420-K497 PolarHBondContact N-O 2.96Å
498	F	97.3	Very high	91.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	165.4	177.4	66	-96.5	0	0	0	112.2	G371 E372 W373 P393 F395 L417 M418 K420 P487	G371-F498 VanDerWaalsContact C-CE1 3.41Å; G371-F498 PolarHBondContact N-O 3.43Å; G371-F498 PolarHBondContact O-N 3.2Å; E372-F498 VanDerWaalsContact N-CE1 3.33Å; W373-F498 AromaticContact CD2-CD1 3.63Å; W373-F498 HydrophobicContact CD2-CD1 3.63Å; W373-F498 AromaticContact CD2-CE1 3.94Å; W373-F498 HydrophobicContact CD2-CE1 3.94Å; W373-F498 AromaticContact CE2-CD1 3.46Å; W373-F498 VanDerWaalsContact CE2-CD1 3.46Å; W373-F498 AromaticContact CE2-CE1 3.58Å; W373-F498 AromaticContact CE3-CD1 3.83Å; W373-F498 HydrophobicContact CE3-CD1 3.83Å; W373-F498 HydrophobicContact CG-CD1 4.31Å; W373-F498 HydrophobicContact CG-CE1 4.23Å; W373-F498 HydrophobicContact CH2-CB 3.8Å; W373-F498 AromaticContact CH2-CD1 3.78Å; W373-F498 HydrophobicContact CH2-CD1 3.78Å; W373-F498 AromaticContact CH2-CG 3.94Å; W373-F498 HydrophobicContact CH2-CG 3.94Å; W373-F498 HydrophobicContact CZ2-CB 4.34Å; W373-F498 AromaticContact CZ2-CD1 3.56Å; W373-F498 HydrophobicContact CZ2-CD1 3.56Å; W373-F498 AromaticContact CZ2-CE1 3.97Å; W373-F498 HydrophobicContact CZ2-CE1 3.97Å; W373-F498 AromaticContact CZ2-CG 3.96Å; W373-F498 HydrophobicContact CZ2-CG 3.96Å; W373-F498 HydrophobicContact CZ3-CB 3.95Å; W373-F498 AromaticContact CZ3-CD1 3.91Å; W373-F498 HydrophobicContact CZ3-CD1 3.91Å; W373-F498 HydrophobicContact CZ3-CG 4.28Å; W373-F498 AromaticContact NE1-CE1 3.62Å; P393-F498 HydrophobicContact CB-CZ 3.97Å; P393-F498 HydrophobicContact CG-CE1 3.99Å; P393-F498 HydrophobicContact CG-CZ 3.84Å; F395-F498 AromaticContact CE2-CE2 3.84Å; F395-F498 HydrophobicContact CE2-CE2 3.84Å; F395-F498 AromaticContact CE2-CZ 3.96Å; F395-F498 HydrophobicContact CE2-CZ 3.96Å; F395-F498 HydrophobicContact CZ-CE2 4.14Å; F395-F498 HydrophobicContact CZ-CZ 4.32Å; L417-F498 HydrophobicContact CD1-CB 3.99Å; L417-F498 HydrophobicContact CD1-CD2 3.61Å; L417-F498 HydrophobicContact CD1-CE2 4.34Å; L417-F498 HydrophobicContact CD1-CG 3.94Å; M418-F498 CarbonylContact O-C 3.51Å; M418-F498 WeakPolarHBondContact O-CA 3.33Å; M418-F498 VanDerWaalsContact O-CB 3.29Å; M418-F498 WeakPolarHBondContact O-CB 3.34Å; K420-F498 WeakPolarHBondContact CE-O 3.42Å; P487-F498 HydrophobicContact CB-CD2 4.46Å; P487-F498 HydrophobicContact CB-CE2 4.03Å; P487-F498 HydrophobicContact CB-CZ 4.2Å; P487-F498 HydrophobicContact CG-CD2 4.48Å; P487-F498 HydrophobicContact CG-CE1 4.48Å; P487-F498 HydrophobicContact CG-CE2 3.61Å; P487-F498 HydrophobicContact CG-CZ 3.6Å
499	M	96.2	Very high	90	Very high	4 Å²	4	39.2 Å²	39.2	2%	0.02	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	131	167.8	167.8	170.5	-73.1	0	0	108.1	W140 F142 E369 M418 R501	W140-M499 HydrophobicContact CH2-SD 4.09Å; W140-M499 HydrophobicContact CZ2-SD 4.22Å; F142-M499 WeakPolarHBondContact O-CE 3.18Å; E369-M499 CarbonylContact O-C 3.59Å; E369-M499 WeakPolarHBondContact O-CA 3.46Å; M418-M499 HydrophobicContact CB-CB 4.45Å; M418-M499 PolarHBondContact N-O 2.85Å; M418-M499 PolarHBondContact O-N 2.81Å; M499-R501 HydrophobicContact CG-CG 3.7Å; M499-R501 HydrophobicContact SD-CG 3.93Å
500	L	96.2	Very high	89.2	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	117.8	172.2	-176.7	69.9	0	0	0	108.2	C368 E369 F395 V415 G416 L417 I485 I502	C368-L500 WeakPolarHBondContact CA-O 3.39Å; E369-L500 HydrophobicContact CB-CB 4.32Å; E369-L500 PolarHBondContact N-O 3.18Å; E369-L500 PolarHBondContact O-N 2.73Å; F395-L500 HydrophobicContact CB-CD2 3.86Å; F395-L500 HydrophobicContact CD1-CD2 4.43Å; F395-L500 HydrophobicContact CD2-CD2 3.57Å; F395-L500 HydrophobicContact CE2-CD2 4.23Å; F395-L500 HydrophobicContact CG-CD2 3.68Å; V415-L500 HydrophobicContact CG1-CD1 3.58Å; G416-L500 CarbonylContact O-C 3.49Å; G416-L500 WeakPolarHBondContact O-CA 3.07Å; L417-L500 HydrophobicContact CB-CD1 4.31Å; L417-L500 HydrophobicContact CD1-CD1 4.35Å; I485-L500 HydrophobicContact CB-CD2 4.32Å; I485-L500 HydrophobicContact CD1-CD2 4.49Å; I485-L500 HydrophobicContact CG2-CD1 4.23Å; I485-L500 HydrophobicContact CG2-CD2 4.07Å; L500-I502 HydrophobicContact CD2-CD1 4.06Å; L500-I502 HydrophobicContact CD2-CG1 4.3Å; L500-I502 HydrophobicContact CG-CD1 4.39Å; L500-I502 HydrophobicContact CG-CG1 4.11Å
501	R	93.6	Very high	88.8	Confident	1 Å²	1	39.3 Å²	39.3	0%	0.004	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.3	178.4	-52.5	-168.4	-75.2	170.9	-6.9	108.8	G205 G206 V415 G416 E471 M499 F503	G205-R501 PolarHBondContact O-NH1 3.35Å; G206-R501 PolarHBondContact O-NH1 2.94Å; G206-R501 PolarHBondContact O-NH2 3Å; V415-R501 WeakPolarHBondContact CA-O 3.5Å; G416-R501 PolarHBondContact N-O 3.24Å; G416-R501 PolarHBondContact O-N 2.86Å; E471-R501 IonicContact OE1-CZ 2.69Å; E471-R501 VanDerWaalsContact OE1-CZ 3.24Å; E471-R501 IonicContact OE1-NE 3.45Å; E471-R501 PolarHBondContact OE1-NE 2.89Å; E471-R501 IonicContact OE1-NH2 2.83Å; E471-R501 PolarHBondContact OE1-NH2 3.12Å; E471-R501 IonicContact OE2-CZ 2.7Å; E471-R501 IonicContact OE2-NH2 2.65Å; E471-R501 PolarHBondContact OE2-NH2 2.83Å; M499-R501 HydrophobicContact CG-CG 3.7Å; M499-R501 HydrophobicContact SD-CG 3.93Å; R501-F503 HydrophobicContact CB-CD2 4.42Å; R501-F503 HydrophobicContact CB-CE2 3.69Å; R501-F503 HydrophobicContact CB-CZ 4.49Å
502	I	92	Very high	88.5	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.5	-176.3	-55.1	172.7	0	0	0	107.5	M366 V367 V397 L413 I485 L500	M366-I502 WeakPolarHBondContact CA-O 3.44Å; V367-I502 PolarHBondContact N-O 3.01Å; V367-I502 PolarHBondContact O-N 2.83Å; V397-I502 HydrophobicContact CG2-CG2 4.02Å; L413-I502 HydrophobicContact CD1-CG2 3.52Å; L413-I502 HydrophobicContact CG-CG2 4.4Å; I485-I502 HydrophobicContact CD1-CD1 3.78Å; I485-I502 HydrophobicContact CD1-CG1 4.03Å; L500-I502 HydrophobicContact CD2-CD1 4.06Å; L500-I502 HydrophobicContact CD2-CG1 4.3Å; L500-I502 HydrophobicContact CG-CD1 4.39Å; L500-I502 HydrophobicContact CG-CG1 4.11Å
503	F	87.2	Confident	88.3	Confident	11 Å²	11	38 Å²	38	5%	0.048	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	135.7	176.4	-59.6	-105.7	0	0	0	110.4	L207 W364 E365 M366 L413 V414 R501	L207-F503 HydrophobicContact CB-CE2 3.98Å; L207-F503 HydrophobicContact CB-CZ 3.95Å; L207-F503 HydrophobicContact CD1-CE2 3.98Å; L207-F503 HydrophobicContact CD2-CD2 3.6Å; L207-F503 HydrophobicContact CD2-CE2 3.51Å; L207-F503 HydrophobicContact CD2-CG 4.37Å; L207-F503 HydrophobicContact CD2-CZ 4.19Å; L207-F503 HydrophobicContact CG-CE2 4.02Å; L207-F503 HydrophobicContact CG-CZ 4.5Å; W364-F503 HydrophobicContact CE3-CB 3.91Å; W364-F503 HydrophobicContact CZ3-CB 4.4Å; E365-F503 VanDerWaalsContact O-CA 3.27Å; E365-F503 WeakPolarHBondContact O-CA 3.22Å; M366-F503 HydrophobicContact CB-CD1 3.87Å; M366-F503 HydrophobicContact CB-CE1 3.78Å; M366-F503 HydrophobicContact CB-CZ 4.38Å; M366-F503 HydrophobicContact CG-CD1 4Å; M366-F503 HydrophobicContact CG-CE1 3.59Å; M366-F503 HydrophobicContact CG-CE2 4.14Å; M366-F503 HydrophobicContact CG-CG 4.46Å; M366-F503 HydrophobicContact CG-CZ 3.67Å; M366-F503 HydrophobicContact SD-CE1 3.54Å; M366-F503 VanDerWaalsContact SD-CE1 3.54Å; M366-F503 HydrophobicContact SD-CE2 4.25Å; M366-F503 HydrophobicContact SD-CZ 3.38Å; M366-F503 WeakPolarHBondContact SD-CZ 3.23Å; L413-F503 WeakPolarHBondContact CA-O 3.46Å; V414-F503 HydrophobicContact CB-CB 4.07Å; V414-F503 HydrophobicContact CG2-CB 4.45Å; V414-F503 PolarHBondContact N-O 3.21Å; V414-F503 PolarHBondContact O-N 3.12Å; R501-F503 HydrophobicContact CB-CD2 4.42Å; R501-F503 HydrophobicContact CB-CE2 3.69Å; R501-F503 HydrophobicContact CB-CZ 4.49Å
504	S	83.4	Confident	88.1	Confident	9 Å²	9	37.9 Å²	37.9	6%	0.063	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157.3	-179.2	54.2	0	0	0	0	110.6	W364 E365 R506 C508	W364-S504 WeakPolarHBondContact CA-O 3.34Å; E365-S504 PolarHBondContact N-O 3.42Å; E365-S504 PolarHBondContact O-N 3.05Å; S504-R506 WeakPolarHBondContact CB-O 3.47Å; S504-R506 PolarHBondContact O-N 2.92Å; S504-R506 PolarHBondContact OG-O 3.39Å; S504-C508 PolarHBondContact OG-SG 2.76Å
505	E	74.2	Confident	87.8	Confident	45 Å²	45	36.4 Å²	36.4	21%	0.21	20%	0.199	C	C	.	.	S	Bend	trans	-78	-8.8	-179.3	-65.8	177.1	101.6	0	0	113.3	W364 P402 T412	W364-E505 HydrophobicContact CE3-CG 4.33Å; W364-E505 HydrophobicContact CH2-CG 3.85Å; W364-E505 HydrophobicContact CZ2-CG 4.34Å; W364-E505 HydrophobicContact CZ3-CG 3.85Å; P402-E505 HydrophobicContact CB-CB 3.84Å; P402-E505 HydrophobicContact CG-CB 4.12Å; P402-E505 WeakPolarHBondContact CG-OE2 3.36Å; T412-E505 WeakPolarHBondContact CB-OE2 3.5Å; T412-E505 PolarHBondContact N-OE2 2.9Å; T412-E505 PolarHBondContact OG1-OE2 3.32Å
506	R	75.1	Confident	87.4	Confident	122 Å²	122	36.5 Å²	36.5	46%	0.46	20%	0.202	S	C	.	.	S	Bend	trans	-144.8	152.9	174.7	-71.9	-166.6	176.5	-176.1	8.8	109	P402 S504 C508	P402-R506 HydrophobicContact CB-CG 4.37Å; P402-R506 PolarHBondContact O-NE 2.98Å; P402-R506 PolarHBondContact O-NH2 3.29Å; S504-R506 WeakPolarHBondContact CB-O 3.47Å; S504-R506 PolarHBondContact O-N 2.92Å; S504-R506 PolarHBondContact OG-O 3.39Å; R506-C508 PolarHBondContact O-N 3.36Å
507	A	74.3	Confident	87.1	Confident	76 Å²	76	38.9 Å²	38.9	63%	0.628	22%	0.215	S	C	*	.			trans	-54.2	115.8	-177.3	0	0	0	0	0	109.7	E365	E365-A507 HydrophobicContact CG-CB 4.09Å
508	C	74.6	Confident	86.8	Confident	11 Å²	11	37 Å²	37	7%	0.074	21%	0.205	C	C	.	.			trans	-108	132.9	176.6	62.9	0	0	0	0	108.6	V367 V397 E398 S504 R506	V367-C508 WeakPolarHBondContact CG2-O 3.25Å; V397-C508 HydrophobicContact CG2-CB 4.32Å; E398-C508 VanDerWaalsContact O-CB 3.27Å; E398-C508 WeakPolarHBondContact O-CB 3.39Å; S504-C508 PolarHBondContact OG-SG 2.76Å; R506-C508 PolarHBondContact O-N 3.36Å
509	G	75.5	Confident	86.1	Confident	47 Å²	47	39.1 Å²	39.1	49%	0.485	22%	0.215	S	C	.	.			trans	-70.7	132.1	165.6	0	0	0	0	0	109.4
510	S	83.5	Confident	85.3	Confident	21 Å²	21	40.9 Å²	40.9	15%	0.147	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	152.6	160.4	66.8	0	0	0	0	110.8	V367 E369 H396	V367-S510 WeakPolarHBondContact CB-OG 3.27Å; V367-S510 WeakPolarHBondContact CG1-OG 3.45Å; E369-S510 WeakPolarHBondContact OE1-CB 3.46Å; E369-S510 PolarHBondContact OE1-OG 3.06Å; H396-S510 WeakPolarHBondContact O-CA 3.48Å; H396-S510 WeakPolarHBondContact O-CB 3.37Å
511	N	88.7	Confident	83.4	Confident	53 Å²	53	46.4 Å²	46.4	28%	0.283	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	143.9	172.8	62.4	-80.3	0	0	0	109.8	H396 L513	H396-N511 PolarHBondContact N-O 3.18Å; H396-N511 PolarHBondContact ND1-OD1 2.8Å; H396-N511 PolarHBondContact O-N 2.97Å; N511-L513 PolarHBondContact O-N 3.04Å
512	E	92.3	Very high	81.3	Confident	72 Å²	72	51.2 Å²	51.2	34%	0.336	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	131.4	165.3	-164.6	-178.7	167.6	0	0	109	Q394 F395 N643	Q394-E512 CarbonylContact O-C 3.58Å; Q394-E512 WeakPolarHBondContact O-CA 3.48Å; F395-E512 HydrophobicContact CD1-CB 4.02Å; F395-E512 HydrophobicContact CD1-CG 4.37Å; F395-E512 HydrophobicContact CE1-CB 3.72Å; F395-E512 HydrophobicContact CE1-CG 3.91Å; F395-E512 HydrophobicContact CZ-CB 4.47Å; F395-E512 HydrophobicContact CZ-CG 4.18Å; E512-N643 PolarHBondContact OE1-ND2 2.99Å
513	L	93.1	Very high	78.7	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	125.8	168.1	-59.1	-179.6	0	0	0	108	Q394 H396 N445 L448 L449 V484 N511	Q394-L513 HydrophobicContact CB-CB 4.12Å; Q394-L513 HydrophobicContact CB-CD1 4.11Å; Q394-L513 HydrophobicContact CB-CG 4.38Å; Q394-L513 PolarHBondContact O-N 3.42Å; H396-L513 HydrophobicContact CB-CD2 3.75Å; H396-L513 HydrophobicContact CB-CG 4.13Å; N445-L513 WeakPolarHBondContact O-CD2 3.46Å; L448-L513 WeakPolarHBondContact CD2-O 3.45Å; L449-L513 HydrophobicContact CD1-CD1 4.33Å; L449-L513 HydrophobicContact CG-CD1 4.21Å; V484-L513 HydrophobicContact CG2-CD1 3.84Å; N511-L513 PolarHBondContact O-N 3.04Å
514	D	91.8	Very high	75.9	Confident	44 Å²	44	54.3 Å²	54.3	24%	0.235	32%	0.32	C	S	.	.			trans	-138.7	163.6	174.3	-154.7	-3.9	0	0	0	110.5	N446 R447 S642 N643	N446-D514 VanDerWaalsContact O-O 3.05Å; R447-D514 WeakPolarHBondContact CA-O 3.38Å; D514-S642 VanDerWaalsContact OD1-CA 3.29Å; D514-S642 WeakPolarHBondContact OD1-CA 3.42Å; D514-S642 WeakPolarHBondContact OD2-CB 3.45Å; D514-N643 VanDerWaalsContact CG-N 3.28Å; D514-N643 PolarHBondContact OD1-N 3.06Å; D514-N643 PolarHBondContact OD2-N 3.07Å
515	D	88.7	Confident	73.5	Confident	11 Å²	11	60.5 Å²	60.5	6%	0.059	36%	0.36	C	S	.	.			trans	-87.8	133.4	174.3	-85.4	-7.7	0	0	0	111.2	L448 T517 R635 S642	L448-D515 HydrophobicContact CD1-CB 4.29Å; L448-D515 PolarHBondContact N-OD1 2.84Å; D515-T517 PolarHBondContact O-N 3.01Å; D515-R635 IonicContact OD1-NH2 2.75Å; D515-R635 PolarHBondContact OD1-NH2 2.76Å; D515-R635 IonicContact OD2-CZ 3.22Å; D515-R635 VanDerWaalsContact OD2-CZ 3.28Å; D515-R635 IonicContact OD2-NE 2.81Å; D515-R635 PolarHBondContact OD2-NE 2.95Å; D515-R635 IonicContact OD2-NH2 2.7Å; D515-R635 PolarHBondContact OD2-NH2 3Å; D515-S642 WeakPolarHBondContact O-CA 3.22Å
516	D	87	Confident	71.4	Confident	98 Å²	98	65.4 Å²	65.4	52%	0.524	39%	0.388	S	S	.	.			trans	-58.7	132.8	165.9	-64.8	-44.6	0	0	0	110.4	R518 H640	D516-R518 PolarHBondContact O-N 2.87Å; D516-H640 WeakPolarHBondContact O-CB 3.35Å
517	T	89.1	Confident	69.5	Low	63 Å²	63	67.1 Å²	67.1	39%	0.387	40%	0.401	S	S	.	.			trans	-76.4	110.2	179	-64.1	0	0	0	0	110.6	D515 H640 S642 I645 F676	D515-T517 PolarHBondContact O-N 3.01Å; T517-H640 CarbonylContact C-O 3.49Å; T517-H640 VanDerWaalsContact CA-O 3.31Å; T517-H640 WeakPolarHBondContact CA-O 3.46Å; T517-S642 PolarHBondContact OG1-N 3.38Å; T517-I645 HydrophobicContact CG2-CD1 3.55Å; T517-I645 WeakPolarHBondContact OG1-CD1 3.42Å; T517-F676 HydrophobicContact CG2-CE1 4.16Å; T517-F676 HydrophobicContact CG2-CE2 4.31Å; T517-F676 HydrophobicContact CG2-CZ 3.48Å; T517-F676 VanDerWaalsContact CG2-CZ 3.48Å
518	R	88.5	Confident	67.6	Low	89 Å²	89	68.9 Å²	68.9	34%	0.336	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	154.6	-177.1	62	-176.6	-175.7	135.6	12	112.8	D516 H640	D516-R518 PolarHBondContact O-N 2.87Å; R518-H640 HydrophobicContact CG-CB 3.88Å; R518-H640 PolarHBondContact N-O 2.96Å; R518-H640 PolarHBondContact O-N 3.43Å
519	I	83.3	Confident	66.1	Low	44 Å²	44	73.4 Å²	73.4	23%	0.226	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	117.9	165.3	-55.1	-178.3	0	0	0	108.2	G638 F639 F676	I519-G638 WeakPolarHBondContact CA-O 3.41Å; I519-F639 HydrophobicContact CD1-CD1 4.02Å; I519-F639 HydrophobicContact CD1-CE1 3.36Å; I519-F639 HydrophobicContact CD1-CZ 4.1Å; I519-F639 HydrophobicContact CG1-CD1 3.68Å; I519-F639 HydrophobicContact CG1-CE1 3.57Å; I519-F639 HydrophobicContact CG1-CZ 4.49Å; I519-F639 HydrophobicContact CG2-CE1 4.46Å; I519-F676 HydrophobicContact CD1-CB 3.37Å; I519-F676 HydrophobicContact CD1-CD1 4.01Å; I519-F676 HydrophobicContact CD1-CD2 3.44Å; I519-F676 VanDerWaalsContact CD1-CD2 3.44Å; I519-F676 HydrophobicContact CD1-CE2 4.11Å; I519-F676 HydrophobicContact CD1-CG 3.35Å; I519-F676 HydrophobicContact CG1-CB 4.23Å; I519-F676 HydrophobicContact CG1-CD1 3.91Å; I519-F676 HydrophobicContact CG1-CD2 3.6Å; I519-F676 HydrophobicContact CG1-CE1 4.04Å; I519-F676 HydrophobicContact CG1-CE2 3.74Å; I519-F676 HydrophobicContact CG1-CG 3.66Å; I519-F676 HydrophobicContact CG1-CZ 3.92Å
520	S	78.4	Confident	64.7	Low	41 Å²	41	81.2 Å²	81.2	29%	0.287	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-84.2	121.3	164.9	-56.6	0	0	0	0	107.8	M522 G638	S520-M522 PolarHBondContact O-N 3.36Å; S520-M522 VanDerWaalsContact O-N 3.09Å; S520-G638 PolarHBondContact N-O 2.83Å
521	V	56.9	Low	62.8	Low	117 Å²	117	86.4 Å²	86.4	71%	0.709	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-61.5	116.5	178.2	-171.2	0	0	0	0	108.8	G523	V521-G523 WeakPolarHBondContact CG1-O 3.35Å; V521-G523 PolarHBondContact O-N 3.08Å; V521-G523 VanDerWaalsContact O-N 3.1Å
522	M	49.1	Very low	61	Low	102 Å²	102	87.6 Å²	87.6	50%	0.502	49%	0.491	S	S	.	.	S	Bend	trans	-69.4	102.7	170.1	-89.1	-83.2	-111.7	0	0	108.6	S520 I614 T636 V637	S520-M522 PolarHBondContact O-N 3.36Å; S520-M522 VanDerWaalsContact O-N 3.09Å; M522-I614 HydrophobicContact CE-CD1 3.55Å; M522-T636 WeakPolarHBondContact CE-O 3.42Å; M522-V637 WeakPolarHBondContact CG-O 3.05Å
523	G	37.3	Very low	59.5	Low	27 Å²	27	85.3 Å²	85.3	28%	0.278	48%	0.482	S	S	.	.	S	Bend	trans	84.3	109.4	-175.4	0	0	0	0	0	111.1	V521	V521-G523 WeakPolarHBondContact CG1-O 3.35Å; V521-G523 PolarHBondContact O-N 3.08Å; V521-G523 VanDerWaalsContact O-N 3.1Å
524	G	29.3	Very low	58.2	Low	48 Å²	48	90.1 Å²	90.1	50%	0.495	51%	0.508	S	S	.	.			trans	-57.6	172.4	157.1	0	0	0	0	0	110.2	D526 Q527	G524-D526 PolarHBondContact O-N 2.96Å; G524-Q527 PolarHBondContact O-N 3.27Å
525	P	32.4	Very low	57.3	Low	139 Å²	139	93.3 Å²	93.3	90%	0.903	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	1.2	-179.4	18.6	-30.5	0	0	0	116.6
526	D	31.3	Very low	56.7	Low	148 Å²	148	95.8 Å²	95.8	79%	0.791	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	21	-173.4	-69.4	-38	0	0	0	115.5	G524 P528	G524-D526 PolarHBondContact O-N 2.96Å; D526-P528 WeakPolarHBondContact O-CD 3.45Å
527	Q	35.6	Very low	56.3	Low	158 Å²	158	91.9 Å²	91.9	74%	0.738	52%	0.516	S	S	*	.			trans	-89.2	108.4	160.8	-77.1	-149.2	3.5	0	0	110	G524 I529	G524-Q527 PolarHBondContact O-N 3.27Å; Q527-I529 PolarHBondContact O-N 3.2Å; Q527-I529 VanDerWaalsContact O-N 3.14Å
528	P	33.9	Very low	56	Low	113 Å²	113	94.9 Å²	94.9	73%	0.734	53%	0.526	S	S	*	.			trans	-68.6	118.9	-179.4	-1.6	16.7	0	0	0	107.9	D526 R530	D526-P528 WeakPolarHBondContact O-CD 3.45Å; P528-R530 PolarHBondContact O-N 3.41Å
529	I	42	Very low	55.7	Low	107 Å²	107	97.5 Å²	97.5	55%	0.549	54%	0.54	S	S	.	.			trans	-47.8	114.7	158.3	-63.5	176.1	0	0	0	105.8	Q527 T531 D533	Q527-I529 PolarHBondContact O-N 3.2Å; Q527-I529 VanDerWaalsContact O-N 3.14Å; I529-T531 PolarHBondContact O-N 3.09Å; I529-D533 HydrophobicContact CG2-CB 3.49Å; I529-D533 VanDerWaalsContact CG2-CB 3.49Å; I529-D533 WeakPolarHBondContact CG2-OD2 3.3Å
530	R	45.9	Very low	55.7	Low	211 Å²	211	96.4 Å²	96.4	80%	0.796	53%	0.534	S	S	*	.			trans	-61.4	140.4	-174.6	-72.2	179	168.3	-174.7	-3.9	108.4	P528 A532 D533	P528-R530 PolarHBondContact O-N 3.41Å; R530-A532 PolarHBondContact O-N 2.92Å; R530-D533 PolarHBondContact O-N 3.35Å
531	T	45.2	Very low	56.1	Low	129 Å²	129	98.2 Å²	98.2	79%	0.791	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	-7	179.4	49.8	0	0	0	0	116.9	I529 D533	I529-T531 PolarHBondContact O-N 3.09Å; T531-D533 VanDerWaalsContact C-N 3.29Å
532	A	49.6	Very low	57.6	Low	78 Å²	78	97.6 Å²	97.6	65%	0.645	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-17.8	169.7	0	0	0	0	0	113.5	R530	R530-A532 PolarHBondContact O-N 2.92Å
533	D	60.7	Low	59.3	Low	25 Å²	25	96.1 Å²	96.1	13%	0.134	53%	0.531	C	S	.	.	S	Bend	trans	-84.3	-25.7	-175.9	-80.6	-29.1	0	0	0	114	I529 R530 T531 N535 L536 I537 M606 R609	I529-D533 HydrophobicContact CG2-CB 3.49Å; I529-D533 VanDerWaalsContact CG2-CB 3.49Å; I529-D533 WeakPolarHBondContact CG2-OD2 3.3Å; R530-D533 PolarHBondContact O-N 3.35Å; T531-D533 VanDerWaalsContact C-N 3.29Å; D533-N535 PolarHBondContact O-N 2.82Å; D533-L536 CarbonylContact O-C 3.55Å; D533-L536 WeakPolarHBondContact O-CB 3.36Å; D533-L536 PolarHBondContact O-N 3.43Å; D533-I537 HydrophobicContact CB-CD1 4.18Å; D533-I537 WeakPolarHBondContact O-CB 3.11Å; D533-I537 WeakPolarHBondContact O-CD1 3.46Å; D533-I537 WeakPolarHBondContact O-CG1 3.2Å; D533-I537 PolarHBondContact O-N 3.45Å; D533-M606 HydrophobicContact CB-CE 4.31Å; D533-R609 IonicContact OD1-CZ 3.56Å; D533-R609 IonicContact OD1-NH1 3.52Å; D533-R609 PolarHBondContact OD1-NH1 2.72Å; D533-R609 IonicContact OD1-NH2 3.61Å; D533-R609 IonicContact OD2-NH1 3.18Å
534	D	65.9	Low	61.8	Low	101 Å²	101	94.9 Å²	94.9	54%	0.54	52%	0.518	S	S	.	.	H	α-helix	trans	-61.6	-45.6	-176.7	-65.2	-25	0	0	0	112.4	L536 I537 E538	D534-L536 PolarHBondContact O-N 2.81Å; D534-I537 PolarHBondContact O-N 3.12Å; D534-E538 PolarHBondContact O-N 3.45Å
535	N	72.2	Confident	64.6	Low	110 Å²	110	96.3 Å²	96.3	59%	0.588	51%	0.514	S	S	*	.	H	α-helix	trans	-65.4	-27.1	175.9	-110.1	-30.5	0	0	0	113	D533 K539	D533-N535 PolarHBondContact O-N 2.82Å; N535-K539 WeakPolarHBondContact O-CG 3.45Å
536	L	76.6	Confident	67.3	Low	63 Å²	63	98.4 Å²	98.4	33%	0.33	51%	0.509	S	S	.	.	H	α-helix	trans	-79.3	-40.2	176.2	-172.2	71.6	0	0	0	110.4	D533 D534 K539 L540	D533-L536 CarbonylContact O-C 3.55Å; D533-L536 WeakPolarHBondContact O-CB 3.36Å; D533-L536 PolarHBondContact O-N 3.43Å; D534-L536 PolarHBondContact O-N 2.81Å; L536-K539 PolarHBondContact O-N 3.27Å; L536-L540 HydrophobicContact CD2-CD1 4.41Å; L536-L540 HydrophobicContact CG-CD1 3.96Å; L536-L540 WeakPolarHBondContact O-CB 3.28Å; L536-L540 WeakPolarHBondContact O-CD1 3.46Å; L536-L540 WeakPolarHBondContact O-CG 3.1Å; L536-L540 PolarHBondContact O-N 3.4Å
537	I	80.1	Confident	70	Confident	17 Å²	17	94 Å²	94	9%	0.087	49%	0.485	C	S	.	.	H	α-helix	trans	-62	-45.1	176.7	-68.1	161	0	0	0	110.2	D533 D534 K539 L540 E541 F598 K602 M606	D533-I537 HydrophobicContact CB-CD1 4.18Å; D533-I537 WeakPolarHBondContact O-CB 3.11Å; D533-I537 WeakPolarHBondContact O-CD1 3.46Å; D533-I537 WeakPolarHBondContact O-CG1 3.2Å; D533-I537 PolarHBondContact O-N 3.45Å; D534-I537 PolarHBondContact O-N 3.12Å; I537-K539 VanDerWaalsContact C-N 3.33Å; I537-K539 PolarHBondContact O-N 3.46Å; I537-L540 CarbonylContact O-C 3.58Å; I537-L540 WeakPolarHBondContact O-CB 3.34Å; I537-L540 PolarHBondContact O-N 2.99Å; I537-L540 VanDerWaalsContact O-N 3.14Å; I537-E541 PolarHBondContact O-N 3.33Å; I537-F598 HydrophobicContact CG2-CZ 4.25Å; I537-K602 HydrophobicContact CG2-CD 4.08Å; I537-M606 HydrophobicContact CD1-CE 3.5Å; I537-M606 HydrophobicContact CG1-CE 3.37Å
538	E	81.5	Confident	72.6	Confident	125 Å²	125	86.9 Å²	86.9	58%	0.584	45%	0.453	S	S	*	.	H	α-helix	trans	-60.1	-43	176.4	-77.7	-174.3	172.8	0	0	111.9	D534 L540 E541 V542	D534-E538 PolarHBondContact O-N 3.45Å; E538-L540 VanDerWaalsContact C-N 3.33Å; E538-L540 PolarHBondContact O-N 3.36Å; E538-E541 PolarHBondContact O-N 2.84Å; E538-V542 WeakPolarHBondContact O-CG2 3.21Å; E538-V542 PolarHBondContact O-N 3.2Å; E538-V542 VanDerWaalsContact O-N 3.11Å
539	K	83	Confident	75.1	Confident	144 Å²	144	83.2 Å²	83.2	63%	0.626	44%	0.436	S	S	*	.	H	α-helix	trans	-65.1	-38.8	175.7	-72	176.4	-176.2	177.2	0	111.8	N535 L536 I537 E541 V542 V543	N535-K539 WeakPolarHBondContact O-CG 3.45Å; L536-K539 PolarHBondContact O-N 3.27Å; I537-K539 VanDerWaalsContact C-N 3.33Å; I537-K539 PolarHBondContact O-N 3.46Å; K539-E541 VanDerWaalsContact C-N 3.34Å; K539-V542 PolarHBondContact O-N 2.77Å; K539-V543 WeakPolarHBondContact O-CG2 3.42Å; K539-V543 PolarHBondContact O-N 2.64Å; K539-V543 VanDerWaalsContact O-N 3.12Å
540	L	83.1	Confident	77.2	Confident	21 Å²	21	85.2 Å²	85.2	11%	0.11	46%	0.456	C	S	.	.	H	α-helix	trans	-63.1	-40.4	174.6	-86.3	152.7	0	0	0	111.5	L536 I537 E538 V543 F544 F601 W605	L536-L540 HydrophobicContact CD2-CD1 4.41Å; L536-L540 HydrophobicContact CG-CD1 3.96Å; L536-L540 WeakPolarHBondContact O-CB 3.28Å; L536-L540 WeakPolarHBondContact O-CD1 3.46Å; L536-L540 WeakPolarHBondContact O-CG 3.1Å; L536-L540 PolarHBondContact O-N 3.4Å; I537-L540 CarbonylContact O-C 3.58Å; I537-L540 WeakPolarHBondContact O-CB 3.34Å; I537-L540 PolarHBondContact O-N 2.99Å; I537-L540 VanDerWaalsContact O-N 3.14Å; E538-L540 VanDerWaalsContact C-N 3.33Å; E538-L540 PolarHBondContact O-N 3.36Å; L540-V543 PolarHBondContact O-N 3.45Å; L540-F544 WeakPolarHBondContact O-CB 3.41Å; L540-F544 PolarHBondContact O-N 3.2Å; L540-F601 HydrophobicContact CD2-CE1 3.96Å; L540-F601 HydrophobicContact CD2-CZ 4.16Å; L540-W605 HydrophobicContact CD1-CD2 4.19Å; L540-W605 HydrophobicContact CD1-CG 4.21Å; L540-W605 HydrophobicContact CD1-CZ2 4.08Å; L540-W605 HydrophobicContact CD2-CD2 3.81Å; L540-W605 HydrophobicContact CD2-CE3 4Å; L540-W605 HydrophobicContact CD2-CG 4.42Å; L540-W605 HydrophobicContact CD2-CH2 3.86Å; L540-W605 HydrophobicContact CD2-CZ2 3.71Å; L540-W605 HydrophobicContact CD2-CZ3 4.01Å; L540-W605 HydrophobicContact CG-CZ2 4.41Å
541	E	87.1	Confident	79.1	Confident	79 Å²	79	79.3 Å²	79.3	37%	0.369	45%	0.447	S	S	.	.	H	α-helix	trans	-62.9	-44	177.5	-166.6	168.7	-176.5	0	0	111.9	I537 E538 K539 V543 F544 N545 F598	I537-E541 PolarHBondContact O-N 3.33Å; E538-E541 PolarHBondContact O-N 2.84Å; K539-E541 VanDerWaalsContact C-N 3.34Å; E541-V543 VanDerWaalsContact C-N 3.35Å; E541-V543 PolarHBondContact O-N 2.63Å; E541-F544 PolarHBondContact O-N 3.31Å; E541-N545 WeakPolarHBondContact CG-ND2 3.37Å; E541-N545 WeakPolarHBondContact O-CB 3.46Å; E541-N545 PolarHBondContact O-N 2.71Å; E541-N545 PolarHBondContact O-ND2 3.18Å; E541-F598 VanDerWaalsContact CA-CZ 3.49Å; E541-F598 HydrophobicContact CB-CD1 4.49Å; E541-F598 HydrophobicContact CB-CD2 4.46Å; E541-F598 HydrophobicContact CB-CE1 3.72Å; E541-F598 HydrophobicContact CB-CE2 3.72Å; E541-F598 HydrophobicContact CB-CZ 3.29Å; E541-F598 VanDerWaalsContact CD-CE1 3.47Å; E541-F598 HydrophobicContact CG-CD1 3.85Å; E541-F598 HydrophobicContact CG-CD2 4.25Å; E541-F598 HydrophobicContact CG-CE1 3.5Å; E541-F598 HydrophobicContact CG-CE2 3.96Å; E541-F598 HydrophobicContact CG-CG 4.22Å; E541-F598 HydrophobicContact CG-CZ 3.58Å
542	V	86.9	Confident	81.2	Confident	104 Å²	104	75 Å²	75	63%	0.63	43%	0.429	S	S	*	.	H	α-helix	trans	-61.7	-44	176.2	173.8	0	0	0	0	111.2	E538 K539 K546	E538-V542 WeakPolarHBondContact O-CG2 3.21Å; E538-V542 PolarHBondContact O-N 3.2Å; E538-V542 VanDerWaalsContact O-N 3.11Å; K539-V542 PolarHBondContact O-N 2.77Å; V542-K546 WeakPolarHBondContact O-CB 3.43Å; V542-K546 PolarHBondContact O-N 3.07Å
543	V	84.7	Confident	83.2	Confident	72 Å²	72	72.7 Å²	72.7	44%	0.436	41%	0.409	S	S	.	.	H	α-helix	trans	-66.9	-43.7	177.8	174	0	0	0	0	110.9	K539 L540 E541 K546 I547	K539-V543 WeakPolarHBondContact O-CG2 3.42Å; K539-V543 PolarHBondContact O-N 2.64Å; K539-V543 VanDerWaalsContact O-N 3.12Å; L540-V543 PolarHBondContact O-N 3.45Å; E541-V543 VanDerWaalsContact C-N 3.35Å; E541-V543 PolarHBondContact O-N 2.63Å; V543-K546 PolarHBondContact O-N 2.89Å; V543-I547 HydrophobicContact CG1-CD1 3.92Å; V543-I547 WeakPolarHBondContact O-CG1 3.42Å; V543-I547 PolarHBondContact O-N 3.35Å
544	F	89.7	Confident	84.7	Confident	1 Å²	1	71.6 Å²	71.6	0%	0.004	40%	0.403	C	S	.	.	H	α-helix	trans	-60	-52.9	178.4	177.2	-85.9	0	0	0	111.3	L540 E541 K546 I547 A548 I554 L596 G597 F598 F601	L540-F544 WeakPolarHBondContact O-CB 3.41Å; L540-F544 PolarHBondContact O-N 3.2Å; E541-F544 PolarHBondContact O-N 3.31Å; F544-K546 PolarHBondContact O-N 2.81Å; F544-I547 PolarHBondContact O-N 3.24Å; F544-A548 HydrophobicContact CD1-CB 4.28Å; F544-A548 HydrophobicContact CE1-CB 3.89Å; F544-A548 HydrophobicContact CZ-CB 4.33Å; F544-A548 WeakPolarHBondContact O-CB 3.42Å; F544-A548 PolarHBondContact O-N 3.09Å; F544-I554 HydrophobicContact CD2-CD1 4.08Å; F544-I554 HydrophobicContact CD2-CG2 4.07Å; F544-I554 HydrophobicContact CE2-CB 4.3Å; F544-I554 HydrophobicContact CE2-CD1 3.65Å; F544-I554 HydrophobicContact CE2-CG1 3.74Å; F544-I554 HydrophobicContact CE2-CG2 3.67Å; F544-I554 HydrophobicContact CZ-CG1 4.38Å; F544-I554 HydrophobicContact CZ-CG2 4.01Å; F544-L596 VanDerWaalsContact CZ-O 3.3Å; F544-L596 WeakPolarHBondContact CZ-O 3.45Å; F544-G597 VanDerWaalsContact CZ-C 3.5Å; F544-F598 HydrophobicContact CB-CD2 3.8Å; F544-F598 HydrophobicContact CB-CE2 4.1Å; F544-F598 HydrophobicContact CD1-CB 3.84Å; F544-F598 AromaticContact CD1-CD2 3.68Å; F544-F598 HydrophobicContact CD1-CD2 3.68Å; F544-F598 HydrophobicContact CD1-CG 4.15Å; F544-F598 HydrophobicContact CD2-CD2 4.12Å; F544-F598 HydrophobicContact CE1-CB 3.68Å; F544-F598 HydrophobicContact CE1-CD2 4.3Å; F544-F598 HydrophobicContact CE1-CG 4.47Å; F544-F598 HydrophobicContact CG-CB 4.5Å; F544-F598 AromaticContact CG-CD2 3.59Å; F544-F598 HydrophobicContact CG-CD2 3.59Å; F544-F598 HydrophobicContact CG-CE2 4.36Å; F544-F598 HydrophobicContact CG-CG 4.49Å; F544-F598 HydrophobicContact CZ-CB 4.18Å; F544-F601 HydrophobicContact CB-CD1 4.47Å; F544-F601 HydrophobicContact CB-CE1 4.49Å; F544-F601 HydrophobicContact CD2-CB 3.97Å; F544-F601 AromaticContact CD2-CD1 3.48Å; F544-F601 HydrophobicContact CD2-CD1 3.48Å; F544-F601 VanDerWaalsContact CD2-CD1 3.48Å; F544-F601 HydrophobicContact CD2-CD2 4.37Å; F544-F601 HydrophobicContact CD2-CE1 4.05Å; F544-F601 AromaticContact CD2-CG 3.66Å; F544-F601 HydrophobicContact CD2-CG 3.66Å; F544-F601 HydrophobicContact CE2-CB 3.62Å; F544-F601 HydrophobicContact CE2-CD1 4.07Å; F544-F601 AromaticContact CE2-CG 3.81Å; F544-F601 HydrophobicContact CE2-CG 3.81Å; F544-F601 HydrophobicContact CG-CD1 4.26Å
545	N	89.1	Confident	85.9	Confident	78 Å²	78	69.6 Å²	69.6	42%	0.417	40%	0.395	S	S	.	.	H	α-helix	trans	-62	-32.5	-178.1	-75.9	-32.2	0	0	0	112.1	E541 I547 G549	E541-N545 WeakPolarHBondContact CG-ND2 3.37Å; E541-N545 WeakPolarHBondContact O-CB 3.46Å; E541-N545 PolarHBondContact O-N 2.71Å; E541-N545 PolarHBondContact O-ND2 3.18Å; N545-I547 VanDerWaalsContact C-N 3.31Å; N545-I547 PolarHBondContact O-N 3.5Å; N545-G549 PolarHBondContact O-N 2.89Å
546	K	88.6	Confident	86.8	Confident	182 Å²	182	67.4 Å²	67.4	79%	0.791	38%	0.379	S	S	*	.	H	α-helix	trans	-65.5	-34.3	174	-172.8	-179.8	177.5	-174.1	0	112.6	V542 V543 F544	V542-K546 WeakPolarHBondContact O-CB 3.43Å; V542-K546 PolarHBondContact O-N 3.07Å; V543-K546 PolarHBondContact O-N 2.89Å; F544-K546 PolarHBondContact O-N 2.81Å
547	I	88.7	Confident	87.6	Confident	57 Å²	57	66.9 Å²	66.9	29%	0.292	38%	0.378	S	S	.	.	H	α-helix	trans	-87.2	-42.1	-177.3	-64.3	169.6	0	0	0	111.5	V543 F544 N545 G549 I554 Q558 I562	V543-I547 HydrophobicContact CG1-CD1 3.92Å; V543-I547 WeakPolarHBondContact O-CG1 3.42Å; V543-I547 PolarHBondContact O-N 3.35Å; F544-I547 PolarHBondContact O-N 3.24Å; N545-I547 VanDerWaalsContact C-N 3.31Å; N545-I547 PolarHBondContact O-N 3.5Å; I547-G549 VanDerWaalsContact C-N 3.29Å; I547-G549 PolarHBondContact O-N 2.8Å; I547-I554 HydrophobicContact CG2-CG2 4.24Å; I547-Q558 HydrophobicContact CG2-CB 3.88Å; I547-Q558 HydrophobicContact CG2-CG 4.06Å; I547-Q558 PolarHBondContact O-NE2 3.43Å; I547-I562 HydrophobicContact CB-CD1 4.38Å; I547-I562 HydrophobicContact CD1-CD1 3.55Å; I547-I562 HydrophobicContact CD1-CG1 3.34Å; I547-I562 HydrophobicContact CG2-CD1 4.12Å
548	A	89.1	Confident	88.2	Confident	7 Å²	7	68.8 Å²	68.8	6%	0.058	39%	0.387	C	S	.	.	H	α-helix	trans	-61.3	-40.1	174.1	0	0	0	0	0	110.9	F544 S551 I554	F544-A548 HydrophobicContact CD1-CB 4.28Å; F544-A548 HydrophobicContact CE1-CB 3.89Å; F544-A548 HydrophobicContact CZ-CB 4.33Å; F544-A548 WeakPolarHBondContact O-CB 3.42Å; F544-A548 PolarHBondContact O-N 3.09Å; A548-S551 PolarHBondContact O-OG 2.98Å; A548-I554 HydrophobicContact CB-CG2 3.88Å
549	G	87.5	Confident	88.8	Confident	36 Å²	36	62.8 Å²	62.8	37%	0.371	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	61.3	-145.4	-178.3	0	0	0	0	0	111.5	N545 I547 S551 G552	N545-G549 PolarHBondContact O-N 2.89Å; I547-G549 VanDerWaalsContact C-N 3.29Å; I547-G549 PolarHBondContact O-N 2.8Å; G549-S551 PolarHBondContact O-N 2.85Å; G549-G552 PolarHBondContact O-N 3.15Å
550	P	85.8	Confident	89.3	Confident	149 Å²	149	57.3 Å²	57.3	97%	0.968	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-65.8	-19	-174.2	-21.2	32.7	0	0	0	115.5	G552	P550-G552 VanDerWaalsContact C-N 3.27Å; P550-G552 PolarHBondContact O-N 3.11Å
551	S	86.3	Confident	89.7	Confident	88 Å²	88	61.5 Å²	61.5	62%	0.615	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-70.6	-25.6	-179.9	60.4	0	0	0	0	112.5	A548 G549 A553	A548-S551 PolarHBondContact O-OG 2.98Å; G549-S551 PolarHBondContact O-N 2.85Å; S551-A553 PolarHBondContact O-N 2.9Å; S551-A553 PolarHBondContact OG-N 3.43Å; S551-A553 PolarHBondContact OG-O 3.38Å
552	G	88.4	Confident	89.8	Confident	39 Å²	39	58.4 Å²	58.4	40%	0.402	34%	0.344	S	S	.	.	S	Bend	trans	69	3.4	-170.6	0	0	0	0	0	114.6	G549 P550	G549-G552 PolarHBondContact O-N 3.15Å; P550-G552 VanDerWaalsContact C-N 3.27Å; P550-G552 PolarHBondContact O-N 3.11Å
553	A	91.4	Very high	90	Very high	29 Å²	29	53.5 Å²	53.5	24%	0.24	31%	0.314	C	S	.	.			trans	-136.9	144.1	-178.9	0	0	0	0	0	111.9	S551 L596	S551-A553 PolarHBondContact O-N 2.9Å; S551-A553 PolarHBondContact OG-N 3.43Å; S551-A553 PolarHBondContact OG-O 3.38Å; A553-L596 CarbonylContact C-O 3.6Å; A553-L596 VanDerWaalsContact CA-O 3.24Å; A553-L596 WeakPolarHBondContact CA-O 3.31Å
554	I	92.2	Very high	90.4	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-98.6	147.2	176.9	63.1	175.4	0	0	0	111.7	F544 I547 A548 Q558 L559 I562 M585 G595 L596 F601	F544-I554 HydrophobicContact CD2-CD1 4.08Å; F544-I554 HydrophobicContact CD2-CG2 4.07Å; F544-I554 HydrophobicContact CE2-CB 4.3Å; F544-I554 HydrophobicContact CE2-CD1 3.65Å; F544-I554 HydrophobicContact CE2-CG1 3.74Å; F544-I554 HydrophobicContact CE2-CG2 3.67Å; F544-I554 HydrophobicContact CZ-CG1 4.38Å; F544-I554 HydrophobicContact CZ-CG2 4.01Å; I547-I554 HydrophobicContact CG2-CG2 4.24Å; A548-I554 HydrophobicContact CB-CG2 3.88Å; I554-Q558 HydrophobicContact CB-CB 4.17Å; I554-L559 HydrophobicContact CD1-CB 4.07Å; I554-L559 HydrophobicContact CD1-CD1 3.95Å; I554-I562 HydrophobicContact CD1-CD1 4.15Å; I554-M585 VanDerWaalsContact O-CE 3.31Å; I554-M585 WeakPolarHBondContact O-CE 3.33Å; I554-G595 WeakPolarHBondContact O-CA 3.43Å; I554-L596 HydrophobicContact CD1-CB 4.37Å; I554-L596 HydrophobicContact CG1-CB 3.71Å; I554-L596 PolarHBondContact N-O 3.4Å; I554-L596 PolarHBondContact O-N 3.06Å; I554-F601 HydrophobicContact CD1-CD2 3.83Å; I554-F601 HydrophobicContact CD1-CE2 4.34Å; I554-F601 HydrophobicContact CD1-CG 4.36Å
555	T	92.4	Very high	90.3	Very high	59 Å²	59	58 Å²	58	36%	0.362	33%	0.331	S	S	.	.			trans	-86.4	165.8	172.4	69.4	0	0	0	0	111.7	T557 Q558 L559	T555-T557 PolarHBondContact O-N 2.94Å; T555-T557 PolarHBondContact OG1-OG1 3.49Å; T555-Q558 PolarHBondContact O-N 2.85Å; T555-Q558 VanDerWaalsContact O-N 3.1Å; T555-Q558 PolarHBondContact OG1-OE1 2.89Å; T555-L559 PolarHBondContact O-N 2.83Å
556	Y	91.3	Very high	90.1	Very high	64 Å²	64	56.1 Å²	56.1	25%	0.251	33%	0.326	S	S	.	.	H	α-helix	trans	-60.6	-31	-179.9	77.9	-87.8	0	0	0	113.2	Q560 R578 A581 R582	Y556-Q560 WeakPolarHBondContact O-CB 3.37Å; Y556-Q560 PolarHBondContact O-N 3.05Å; Y556-R578 HydrophobicContact CE2-CB 4.43Å; Y556-A581 HydrophobicContact CD2-CB 4.38Å; Y556-R582 HydrophobicContact CD1-CG 4.36Å; Y556-R582 HydrophobicContact CD2-CG 3.73Å; Y556-R582 HydrophobicContact CE2-CG 4.08Å; Y556-R582 HydrophobicContact CG-CG 3.88Å; Y556-R582 PolarHBondContact OH-NH2 3.39Å; Y556-R582 VanDerWaalsContact OH-NH2 3.13Å
557	T	93.1	Very high	90.2	Very high	52 Å²	52	47.6 Å²	47.6	32%	0.319	29%	0.289	S	S	.	.	H	α-helix	trans	-70.3	-40.4	176.5	52.9	0	0	0	0	111.2	T555 Q560 D561	T555-T557 PolarHBondContact O-N 2.94Å; T555-T557 PolarHBondContact OG1-OG1 3.49Å; T557-Q560 WeakPolarHBondContact O-CB 3.26Å; T557-Q560 PolarHBondContact O-N 2.78Å; T557-D561 PolarHBondContact O-N 3.44Å; T557-D561 VanDerWaalsContact O-N 3.08Å
558	Q	93.3	Very high	90.1	Very high	57 Å²	57	47.5 Å²	47.5	27%	0.266	29%	0.291	S	S	.	.	H	α-helix	trans	-67.2	-40.3	175.7	-68.5	172.9	-44.5	0	0	111.2	I547 I554 T555 Q560 D561 I562	I547-Q558 HydrophobicContact CG2-CB 3.88Å; I547-Q558 HydrophobicContact CG2-CG 4.06Å; I547-Q558 PolarHBondContact O-NE2 3.43Å; I554-Q558 HydrophobicContact CB-CB 4.17Å; T555-Q558 PolarHBondContact O-N 2.85Å; T555-Q558 VanDerWaalsContact O-N 3.1Å; T555-Q558 PolarHBondContact OG1-OE1 2.89Å; Q558-Q560 VanDerWaalsContact C-N 3.33Å; Q558-Q560 PolarHBondContact O-N 3.21Å; Q558-D561 PolarHBondContact O-N 2.89Å; Q558-I562 WeakPolarHBondContact O-CD1 3.37Å; Q558-I562 VanDerWaalsContact O-CG1 3.26Å; Q558-I562 WeakPolarHBondContact O-CG1 3.42Å; Q558-I562 PolarHBondContact O-N 3.21Å; Q558-I562 VanDerWaalsContact O-N 3.08Å
559	L	92.7	Very high	89.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-57.4	-46.6	172.3	178.4	66.7	0	0	0	111.3	I554 T555 D561 I562 L563 M584 L596 F601 L604	I554-L559 HydrophobicContact CD1-CB 4.07Å; I554-L559 HydrophobicContact CD1-CD1 3.95Å; T555-L559 PolarHBondContact O-N 2.83Å; L559-D561 PolarHBondContact O-N 3.09Å; L559-I562 PolarHBondContact O-N 3.27Å; L559-L563 HydrophobicContact CD1-CD1 3.8Å; L559-L563 HydrophobicContact CD1-CG 4.04Å; L559-L563 HydrophobicContact CD2-CD1 4.46Å; L559-L563 HydrophobicContact CG-CD1 3.81Å; L559-L563 HydrophobicContact CG-CG 4.37Å; L559-L563 WeakPolarHBondContact O-CB 3.36Å; L559-L563 VanDerWaalsContact O-CG 3.29Å; L559-L563 WeakPolarHBondContact O-CG 3.42Å; L559-L563 PolarHBondContact O-N 3.28Å; L559-M584 HydrophobicContact CD2-CB 3.76Å; L559-M584 HydrophobicContact CD2-SD 4.28Å; L559-L596 HydrophobicContact CD1-CD1 4.46Å; L559-L596 HydrophobicContact CD2-CD1 3.75Å; L559-F601 HydrophobicContact CD1-CD2 3.75Å; L559-F601 HydrophobicContact CD1-CE2 3.75Å; L559-L604 HydrophobicContact CD1-CD2 4.14Å; L559-L604 HydrophobicContact CD2-CD2 4.03Å
560	Q	94.1	Very high	89.5	Confident	29 Å²	29	56 Å²	56	14%	0.136	32%	0.32	C	S	.	.	H	α-helix	trans	-56.7	-48.1	177.7	-173	-175.8	19.7	0	0	111.6	Y556 T557 Q558 L563 N564 F576 A581	Y556-Q560 WeakPolarHBondContact O-CB 3.37Å; Y556-Q560 PolarHBondContact O-N 3.05Å; T557-Q560 WeakPolarHBondContact O-CB 3.26Å; T557-Q560 PolarHBondContact O-N 2.78Å; Q558-Q560 VanDerWaalsContact C-N 3.33Å; Q558-Q560 PolarHBondContact O-N 3.21Å; Q560-L563 PolarHBondContact O-N 3.11Å; Q560-N564 VanDerWaalsContact O-CB 3.29Å; Q560-N564 WeakPolarHBondContact O-CB 3.24Å; Q560-N564 PolarHBondContact O-N 2.69Å; Q560-N564 PolarHBondContact O-ND2 2.94Å; Q560-F576 PolarHBondContact NE2-O 3.17Å; Q560-A581 HydrophobicContact CB-CB 3.83Å; Q560-A581 HydrophobicContact CG-CB 4.32Å
561	D	91.2	Very high	89.5	Confident	108 Å²	108	49.7 Å²	49.7	58%	0.578	28%	0.277	S	S	*	.	H	α-helix	trans	-62.1	-46.3	-179	-67.9	-24.8	0	0	0	111.6	T557 Q558 L559 L563 N564 E565	T557-D561 PolarHBondContact O-N 3.44Å; T557-D561 VanDerWaalsContact O-N 3.08Å; Q558-D561 PolarHBondContact O-N 2.89Å; L559-D561 PolarHBondContact O-N 3.09Å; D561-L563 PolarHBondContact O-N 2.85Å; D561-N564 PolarHBondContact O-N 3.25Å; D561-E565 PolarHBondContact O-N 3.35Å
562	I	89.9	Confident	89.7	Confident	14 Å²	14	49.7 Å²	49.7	7%	0.072	28%	0.275	C	S	.	.	H	α-helix	trans	-58.5	-49.5	177.5	-67	164.7	0	0	0	110.8	I547 I554 Q558 L559 E565 A566 F601 W605	I547-I562 HydrophobicContact CB-CD1 4.38Å; I547-I562 HydrophobicContact CD1-CD1 3.55Å; I547-I562 HydrophobicContact CD1-CG1 3.34Å; I547-I562 HydrophobicContact CG2-CD1 4.12Å; I554-I562 HydrophobicContact CD1-CD1 4.15Å; Q558-I562 WeakPolarHBondContact O-CD1 3.37Å; Q558-I562 VanDerWaalsContact O-CG1 3.26Å; Q558-I562 WeakPolarHBondContact O-CG1 3.42Å; Q558-I562 PolarHBondContact O-N 3.21Å; Q558-I562 VanDerWaalsContact O-N 3.08Å; L559-I562 PolarHBondContact O-N 3.27Å; I562-E565 PolarHBondContact O-N 2.88Å; I562-A566 PolarHBondContact O-N 3.36Å; I562-F601 HydrophobicContact CG2-CE2 4.31Å; I562-F601 HydrophobicContact CG2-CZ 3.99Å; I562-W605 HydrophobicContact CG2-CZ3 4.29Å
563	L	91.4	Very high	89.8	Confident	1 Å²	1	49 Å²	49	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-68.4	-37.9	-176.7	-68.7	177.5	0	0	0	111.5	L559 Q560 D561 A566 F567 F576 M584 W605 L608	L559-L563 HydrophobicContact CD1-CD1 3.8Å; L559-L563 HydrophobicContact CD1-CG 4.04Å; L559-L563 HydrophobicContact CD2-CD1 4.46Å; L559-L563 HydrophobicContact CG-CD1 3.81Å; L559-L563 HydrophobicContact CG-CG 4.37Å; L559-L563 WeakPolarHBondContact O-CB 3.36Å; L559-L563 VanDerWaalsContact O-CG 3.29Å; L559-L563 WeakPolarHBondContact O-CG 3.42Å; L559-L563 PolarHBondContact O-N 3.28Å; Q560-L563 PolarHBondContact O-N 3.11Å; D561-L563 PolarHBondContact O-N 2.85Å; L563-A566 PolarHBondContact O-N 2.71Å; L563-F567 HydrophobicContact CD2-CD2 4.4Å; L563-F567 HydrophobicContact CD2-CE2 3.98Å; L563-F567 WeakPolarHBondContact O-CB 3.42Å; L563-F567 VanDerWaalsContact O-CD2 3.31Å; L563-F567 WeakPolarHBondContact O-CD2 3.38Å; L563-F567 PolarHBondContact O-N 3.31Å; L563-F576 HydrophobicContact CB-CD2 3.65Å; L563-F576 HydrophobicContact CB-CE2 3.79Å; L563-F576 HydrophobicContact CD1-CD2 4.4Å; L563-F576 HydrophobicContact CD1-CE2 4.49Å; L563-M584 HydrophobicContact CD1-CE 3.9Å; L563-M584 HydrophobicContact CD1-SD 3.27Å; L563-M584 WeakPolarHBondContact CD1-SD 3.35Å; L563-W605 HydrophobicContact CD2-CE3 3.75Å; L563-W605 HydrophobicContact CD2-CZ3 3.74Å; L563-L608 HydrophobicContact CD1-CD1 3.85Å; L563-L608 HydrophobicContact CD2-CD1 3.75Å; L563-L608 HydrophobicContact CG-CD1 4.5Å
564	N	92.1	Very high	89.8	Confident	32 Å²	32	55.8 Å²	55.8	17%	0.171	29%	0.294	C	S	.	.	H	α-helix	trans	-65.9	-39.7	177.5	-74.7	-10.1	0	0	0	112.1	Q560 D561 A566 T568 G575 F576	Q560-N564 VanDerWaalsContact O-CB 3.29Å; Q560-N564 WeakPolarHBondContact O-CB 3.24Å; Q560-N564 PolarHBondContact O-N 2.69Å; Q560-N564 PolarHBondContact O-ND2 2.94Å; D561-N564 PolarHBondContact O-N 3.25Å; N564-A566 PolarHBondContact O-N 2.66Å; N564-T568 HydrophobicContact CB-CG2 4.44Å; N564-T568 WeakPolarHBondContact O-CB 3.36Å; N564-T568 WeakPolarHBondContact O-CG2 3.45Å; N564-T568 PolarHBondContact O-N 3.39Å; N564-T568 PolarHBondContact O-OG1 3.17Å; N564-G575 WeakPolarHBondContact OD1-CA 3.38Å; N564-F576 WeakPolarHBondContact OD1-CD2 3.28Å; N564-F576 PolarHBondContact OD1-N 3.48Å
565	E	87	Confident	89.9	Confident	137 Å²	137	56.3 Å²	56.3	64%	0.64	30%	0.299	S	S	*	.	H	α-helix	trans	-62.3	-33.2	175.2	-167.2	-176.5	161.9	0	0	112.4	D561 I562 K569	D561-E565 PolarHBondContact O-N 3.35Å; I562-E565 PolarHBondContact O-N 2.88Å; E565-K569 VanDerWaalsContact O-CE 3.26Å; E565-K569 WeakPolarHBondContact O-CE 3.45Å; E565-K569 PolarHBondContact O-NZ 2.8Å
566	A	86	Confident	90.1	Very high	37 Å²	37	53.6 Å²	53.6	31%	0.306	28%	0.282	S	S	.	.	H	α-helix	trans	-87.4	-33.4	-176.2	0	0	0	0	0	114.5	I562 L563 N564 W605	I562-A566 PolarHBondContact O-N 3.36Å; L563-A566 PolarHBondContact O-N 2.71Å; N564-A566 PolarHBondContact O-N 2.66Å; A566-W605 HydrophobicContact CB-CH2 3.45Å; A566-W605 VanDerWaalsContact CB-CH2 3.45Å; A566-W605 HydrophobicContact CB-CZ2 4.46Å; A566-W605 HydrophobicContact CB-CZ3 4.06Å
567	F	89.5	Confident	90.3	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.018	28%	0.284	C	S	.	.	H	α-helix	trans	-99.9	-23.6	-168.9	-77.4	-115.4	0	0	0	114.4	L563 K569 F573 F576 W605 L608 K612 F662	L563-F567 HydrophobicContact CD2-CD2 4.4Å; L563-F567 HydrophobicContact CD2-CE2 3.98Å; L563-F567 WeakPolarHBondContact O-CB 3.42Å; L563-F567 VanDerWaalsContact O-CD2 3.31Å; L563-F567 WeakPolarHBondContact O-CD2 3.38Å; L563-F567 PolarHBondContact O-N 3.31Å; F567-K569 PolarHBondContact O-N 3.1Å; F567-K569 VanDerWaalsContact O-N 3.16Å; F567-F573 HydrophobicContact CB-CD1 4.21Å; F567-F573 HydrophobicContact CB-CE1 3.87Å; F567-F576 HydrophobicContact CB-CE2 3.91Å; F567-F576 HydrophobicContact CB-CZ 4.4Å; F567-F576 HydrophobicContact CD1-CE2 4.18Å; F567-F576 HydrophobicContact CD1-CZ 4.03Å; F567-F576 HydrophobicContact CD2-CE2 4.3Å; F567-F576 AromaticContact CG-CE2 3.88Å; F567-F576 HydrophobicContact CG-CE2 3.88Å; F567-F576 HydrophobicContact CG-CZ 4.21Å; F567-W605 HydrophobicContact CE2-CH2 4.17Å; F567-W605 HydrophobicContact CE2-CZ3 4.09Å; F567-L608 HydrophobicContact CE1-CB 4.21Å; F567-L608 HydrophobicContact CZ-CB 3.87Å; F567-K612 HydrophobicContact CD1-CB 4.4Å; F567-K612 HydrophobicContact CD1-CD 3.61Å; F567-K612 HydrophobicContact CD1-CG 4.15Å; F567-K612 HydrophobicContact CE1-CB 3.93Å; F567-K612 HydrophobicContact CE1-CD 3.69Å; F567-K612 HydrophobicContact CE1-CG 4.15Å; F567-F662 AromaticContact CD1-CE1 3.85Å; F567-F662 HydrophobicContact CD1-CE1 3.85Å; F567-F662 AromaticContact CD1-CZ 3.97Å; F567-F662 HydrophobicContact CD1-CZ 3.97Å; F567-F662 HydrophobicContact CE1-CZ 4.39Å
568	T	88.2	Confident	90.4	Very high	54 Å²	54	57.5 Å²	57.5	33%	0.331	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-4.9	-174.9	54.3	0	0	0	0	115.4	N564 F573	N564-T568 HydrophobicContact CB-CG2 4.44Å; N564-T568 WeakPolarHBondContact O-CB 3.36Å; N564-T568 WeakPolarHBondContact O-CG2 3.45Å; N564-T568 PolarHBondContact O-N 3.39Å; N564-T568 PolarHBondContact O-OG1 3.17Å; T568-F573 HydrophobicContact CG2-CD1 3.96Å; T568-F573 HydrophobicContact CG2-CE1 4.34Å; T568-F573 WeakPolarHBondContact CG2-O 3.28Å
569	K	85	Confident	90.4	Very high	152 Å²	152	58.6 Å²	58.6	66%	0.661	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-13.8	-172	-64.1	175.1	-177.6	159.6	0	115.1	E565 F567	E565-K569 VanDerWaalsContact O-CE 3.26Å; E565-K569 WeakPolarHBondContact O-CE 3.45Å; E565-K569 PolarHBondContact O-NZ 2.8Å; F567-K569 PolarHBondContact O-N 3.1Å; F567-K569 VanDerWaalsContact O-N 3.16Å
570	D	78.3	Confident	90.6	Very high	70 Å²	70	58.6 Å²	58.6	37%	0.374	30%	0.302	S	S	.	.	S	Bend	trans	-95	-27.7	-167.8	-81.4	10.3	0	0	0	114.7	K612 K616	D570-K612 IonicContact OD1-NZ 3.55Å; D570-K612 WeakPolarHBondContact OD2-CE 3.36Å; D570-K612 IonicContact OD2-NZ 3.84Å; D570-K612 PolarHBondContact OD2-NZ 3.41Å; D570-K616 IonicContact OD2-NZ 2.76Å; D570-K616 PolarHBondContact OD2-NZ 3.03Å
571	F	86.4	Confident	90.6	Very high	16 Å²	16	57.2 Å²	57.2	7%	0.07	30%	0.295	C	S	.	.	S	Bend	trans	-161.6	166	-175.2	47.5	-99.2	0	0	0	108.9	F573 K612 F615 K616 F662	F571-F573 HydrophobicContact CD2-CB 3.78Å; F571-F573 HydrophobicContact CE2-CB 3.69Å; F571-F573 HydrophobicContact CE2-CD1 4.49Å; F571-F573 HydrophobicContact CE2-CG 4.1Å; F571-F573 PolarHBondContact O-N 3.16Å; F571-K612 HydrophobicContact CE1-CG 4.19Å; F571-K612 HydrophobicContact CZ-CG 4.5Å; F571-F615 HydrophobicContact CE1-CD1 4.44Å; F571-F615 HydrophobicContact CE2-CE1 4.18Å; F571-F615 HydrophobicContact CZ-CD1 4.25Å; F571-F615 HydrophobicContact CZ-CE1 4.22Å; F571-K616 HydrophobicContact CD1-CD 4.36Å; F571-K616 HydrophobicContact CD1-CG 4.13Å; F571-K616 HydrophobicContact CE1-CD 4.21Å; F571-K616 HydrophobicContact CE1-CG 3.95Å; F571-F662 HydrophobicContact CE2-CB 3.74Å; F571-F662 AromaticContact CE2-CD1 3.72Å; F571-F662 HydrophobicContact CE2-CD1 3.72Å; F571-F662 HydrophobicContact CE2-CD2 4.15Å; F571-F662 HydrophobicContact CE2-CE1 4.39Å; F571-F662 AromaticContact CE2-CG 3.58Å; F571-F662 HydrophobicContact CE2-CG 3.58Å; F571-F662 HydrophobicContact CZ-CB 4.25Å; F571-F662 AromaticContact CZ-CD1 3.63Å; F571-F662 HydrophobicContact CZ-CD1 3.63Å; F571-F662 AromaticContact CZ-CD2 3.78Å; F571-F662 HydrophobicContact CZ-CD2 3.78Å; F571-F662 AromaticContact CZ-CE1 3.86Å; F571-F662 HydrophobicContact CZ-CE1 3.86Å; F571-F662 HydrophobicContact CZ-CE2 4.01Å; F571-F662 AromaticContact CZ-CG 3.59Å; F571-F662 HydrophobicContact CZ-CG 3.59Å; F571-F662 HydrophobicContact CZ-CZ 4.05Å
572	P	88.9	Confident	90.7	Very high	89 Å²	89	57.6 Å²	57.6	58%	0.578	29%	0.289	S	S	*	.	S	Bend	trans	-56.5	105.1	176	-23.7	34.8	0	0	0	110.9	G623	P572-G623 WeakPolarHBondContact O-CA 3.36Å
573	F	91.6	Very high	90.8	Very high	23 Å²	23	57.3 Å²	57.3	10%	0.101	29%	0.288	C	S	.	.			trans	-152.3	119.5	-177	174.3	-134.4	0	0	0	109.6	F567 T568 F571 G575 F576 F662 D663	F567-F573 HydrophobicContact CB-CD1 4.21Å; F567-F573 HydrophobicContact CB-CE1 3.87Å; T568-F573 HydrophobicContact CG2-CD1 3.96Å; T568-F573 HydrophobicContact CG2-CE1 4.34Å; T568-F573 WeakPolarHBondContact CG2-O 3.28Å; F571-F573 HydrophobicContact CD2-CB 3.78Å; F571-F573 HydrophobicContact CE2-CB 3.69Å; F571-F573 HydrophobicContact CE2-CD1 4.49Å; F571-F573 HydrophobicContact CE2-CG 4.1Å; F571-F573 PolarHBondContact O-N 3.16Å; F573-G575 VanDerWaalsContact CE2-O 3.27Å; F573-G575 WeakPolarHBondContact CE2-O 3.38Å; F573-G575 VanDerWaalsContact CZ-CA 3.4Å; F573-G575 PolarHBondContact O-N 3.11Å; F573-F576 HydrophobicContact CE1-CD2 4.12Å; F573-F576 HydrophobicContact CE1-CE1 4.45Å; F573-F576 AromaticContact CE1-CE2 3.95Å; F573-F576 HydrophobicContact CE1-CE2 3.95Å; F573-F576 HydrophobicContact CE1-CG 4.47Å; F573-F576 HydrophobicContact CE1-CZ 4.13Å; F573-F576 HydrophobicContact CZ-CB 4.5Å; F573-F576 AromaticContact CZ-CD1 3.78Å; F573-F576 HydrophobicContact CZ-CD1 3.78Å; F573-F576 AromaticContact CZ-CD2 3.94Å; F573-F576 HydrophobicContact CZ-CD2 3.94Å; F573-F576 AromaticContact CZ-CE1 3.85Å; F573-F576 HydrophobicContact CZ-CE1 3.85Å; F573-F576 HydrophobicContact CZ-CE2 4.03Å; F573-F576 AromaticContact CZ-CG 3.83Å; F573-F576 HydrophobicContact CZ-CG 3.83Å; F573-F576 AromaticContact CZ-CZ 4Å; F573-F576 HydrophobicContact CZ-CZ 4Å; F573-F576 VanDerWaalsContact CZ-N 3.25Å; F573-F662 AromaticContact CD1-CD1 3.97Å; F573-F662 HydrophobicContact CD1-CD1 3.97Å; F573-F662 HydrophobicContact CD1-CE1 4.42Å; F573-F662 HydrophobicContact CD2-CB 4.19Å; F573-F662 AromaticContact CD2-CD1 3.99Å; F573-F662 HydrophobicContact CD2-CD1 3.99Å; F573-F662 AromaticContact CE1-CD1 3.8Å; F573-F662 HydrophobicContact CE1-CD1 3.8Å; F573-F662 HydrophobicContact CE1-CE1 4.06Å; F573-F662 HydrophobicContact CE2-CB 4.42Å; F573-F662 AromaticContact CE2-CD1 3.83Å; F573-F662 HydrophobicContact CE2-CD1 3.83Å; F573-F662 HydrophobicContact CG-CD1 4.07Å; F573-F662 AromaticContact CZ-CD1 3.71Å; F573-F662 HydrophobicContact CZ-CD1 3.71Å; F573-F662 HydrophobicContact CZ-CE1 4.22Å; F573-D663 HydrophobicContact CE2-CB 4.11Å
574	D	91.1	Very high	90.9	Very high	173 Å²	173	57.2 Å²	57.2	93%	0.925	29%	0.288	S	S	*	.			trans	-77.8	-3.7	-176.2	-63.2	-33.5	0	0	0	113.6
575	G	94.1	Very high	90.9	Very high	11 Å²	11	56.4 Å²	56.4	11%	0.113	28%	0.283	C	S	.	.			trans	101.3	163.3	-174.4	0	0	0	0	0	112.8	N564 F573	N564-G575 WeakPolarHBondContact OD1-CA 3.38Å; F573-G575 VanDerWaalsContact CE2-O 3.27Å; F573-G575 WeakPolarHBondContact CE2-O 3.38Å; F573-G575 VanDerWaalsContact CZ-CA 3.4Å; F573-G575 PolarHBondContact O-N 3.11Å
576	F	96.3	Very high	90.9	Very high	3 Å²	3	51 Å²	51	1%	0.013	26%	0.262	C	S	.	.			trans	-67.7	138.7	176.7	-66.3	-69.6	0	0	0	110.6	Q560 L563 N564 F567 F573 T580 M584 F662 D663 I666	Q560-F576 PolarHBondContact NE2-O 3.17Å; L563-F576 HydrophobicContact CB-CD2 3.65Å; L563-F576 HydrophobicContact CB-CE2 3.79Å; L563-F576 HydrophobicContact CD1-CD2 4.4Å; L563-F576 HydrophobicContact CD1-CE2 4.49Å; N564-F576 WeakPolarHBondContact OD1-CD2 3.28Å; N564-F576 PolarHBondContact OD1-N 3.48Å; F567-F576 HydrophobicContact CB-CE2 3.91Å; F567-F576 HydrophobicContact CB-CZ 4.4Å; F567-F576 HydrophobicContact CD1-CE2 4.18Å; F567-F576 HydrophobicContact CD1-CZ 4.03Å; F567-F576 HydrophobicContact CD2-CE2 4.3Å; F567-F576 AromaticContact CG-CE2 3.88Å; F567-F576 HydrophobicContact CG-CE2 3.88Å; F567-F576 HydrophobicContact CG-CZ 4.21Å; F573-F576 HydrophobicContact CE1-CD2 4.12Å; F573-F576 HydrophobicContact CE1-CE1 4.45Å; F573-F576 AromaticContact CE1-CE2 3.95Å; F573-F576 HydrophobicContact CE1-CE2 3.95Å; F573-F576 HydrophobicContact CE1-CG 4.47Å; F573-F576 HydrophobicContact CE1-CZ 4.13Å; F573-F576 HydrophobicContact CZ-CB 4.5Å; F573-F576 AromaticContact CZ-CD1 3.78Å; F573-F576 HydrophobicContact CZ-CD1 3.78Å; F573-F576 AromaticContact CZ-CD2 3.94Å; F573-F576 HydrophobicContact CZ-CD2 3.94Å; F573-F576 AromaticContact CZ-CE1 3.85Å; F573-F576 HydrophobicContact CZ-CE1 3.85Å; F573-F576 HydrophobicContact CZ-CE2 4.03Å; F573-F576 AromaticContact CZ-CG 3.83Å; F573-F576 HydrophobicContact CZ-CG 3.83Å; F573-F576 AromaticContact CZ-CZ 4Å; F573-F576 HydrophobicContact CZ-CZ 4Å; F573-F576 VanDerWaalsContact CZ-N 3.25Å; F576-T580 HydrophobicContact CB-CG2 4.49Å; F576-T580 HydrophobicContact CD1-CG2 3.71Å; F576-T580 HydrophobicContact CE1-CG2 4.42Å; F576-T580 HydrophobicContact CG-CG2 4.46Å; F576-M584 HydrophobicContact CD1-CE 3.79Å; F576-M584 HydrophobicContact CD2-CE 4.5Å; F576-M584 HydrophobicContact CE1-CE 3.8Å; F576-M584 HydrophobicContact CE2-CE 4.49Å; F576-M584 HydrophobicContact CG-CE 4.15Å; F576-M584 HydrophobicContact CZ-CE 4.14Å; F576-F662 HydrophobicContact CE1-CD1 4.36Å; F576-F662 AromaticContact CE1-CE1 3.98Å; F576-F662 HydrophobicContact CE1-CE1 3.98Å; F576-F662 HydrophobicContact CZ-CD1 4.4Å; F576-F662 AromaticContact CZ-CE1 3.66Å; F576-F662 HydrophobicContact CZ-CE1 3.66Å; F576-F662 HydrophobicContact CZ-CZ 4.41Å; F576-D663 WeakPolarHBondContact CA-OD1 3.32Å; F576-D663 WeakPolarHBondContact CD1-OD1 3.33Å; F576-I666 HydrophobicContact CD1-CG2 4.49Å; F576-I666 HydrophobicContact CE1-CB 3.88Å; F576-I666 HydrophobicContact CE1-CG1 3.85Å; F576-I666 HydrophobicContact CE1-CG2 3.83Å; F576-I666 HydrophobicContact CZ-CG1 4.39Å
577	S	95.6	Very high	91	Very high	40 Å²	40	51 Å²	51	28%	0.28	26%	0.257	S	S	.	.			trans	-71	164.4	171.8	69.5	0	0	0	0	112	E579 T580 A581 D663	S577-E579 PolarHBondContact O-N 3.2Å; S577-T580 PolarHBondContact O-N 2.85Å; S577-T580 PolarHBondContact OG-N 3.42Å; S577-T580 PolarHBondContact OG-OG1 2.76Å; S577-A581 PolarHBondContact O-N 3Å; S577-D663 WeakPolarHBondContact CB-OD2 3.42Å; S577-D663 PolarHBondContact N-OD1 3Å; S577-D663 PolarHBondContact N-OD2 3.4Å; S577-D663 PolarHBondContact OG-OD2 2.75Å
578	R	94.9	Very high	91	Very high	158 Å²	158	51.6 Å²	51.6	60%	0.596	26%	0.259	S	S	*	.	H	α-helix	trans	-60.7	-31.6	173.3	-71.7	-178.4	177.2	173.9	-0.1	112.1	Y556 R582	Y556-R578 HydrophobicContact CE2-CB 4.43Å; R578-R582 VanDerWaalsContact O-CG 3.3Å; R578-R582 WeakPolarHBondContact O-CG 3.44Å; R578-R582 PolarHBondContact O-N 2.75Å
579	E	94.4	Very high	90.7	Very high	79 Å²	79	49.3 Å²	49.3	37%	0.369	25%	0.245	S	C	.	.	H	α-helix	trans	-69.7	-44.3	179.9	-176.5	61.4	-172.2	0	0	111.3	S577 A581 R582 S583 L667 R671	S577-E579 PolarHBondContact O-N 3.2Å; E579-A581 VanDerWaalsContact C-N 3.34Å; E579-A581 PolarHBondContact O-N 3.26Å; E579-R582 PolarHBondContact O-N 3.31Å; E579-S583 WeakPolarHBondContact O-CB 3.2Å; E579-S583 PolarHBondContact O-N 2.7Å; E579-S583 PolarHBondContact O-OG 2.86Å; E579-L667 HydrophobicContact CG-CD1 4.47Å; E579-L667 HydrophobicContact CG-CD2 4.34Å; E579-R671 IonicContact OE1-CZ 3.87Å; E579-R671 IonicContact OE1-NH2 3.03Å; E579-R671 PolarHBondContact OE1-NH2 3.05Å
580	T	95.7	Very high	90.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.8	-44.6	173.9	-51.6	0	0	0	0	111.3	F576 S577 R582 S583 M584 D663 I666 L667	F576-T580 HydrophobicContact CB-CG2 4.49Å; F576-T580 HydrophobicContact CD1-CG2 3.71Å; F576-T580 HydrophobicContact CE1-CG2 4.42Å; F576-T580 HydrophobicContact CG-CG2 4.46Å; S577-T580 PolarHBondContact O-N 2.85Å; S577-T580 PolarHBondContact OG-N 3.42Å; S577-T580 PolarHBondContact OG-OG1 2.76Å; T580-R582 VanDerWaalsContact C-N 3.34Å; T580-R582 PolarHBondContact O-N 2.96Å; T580-S583 PolarHBondContact O-N 2.78Å; T580-M584 HydrophobicContact CG2-CE 3.55Å; T580-M584 HydrophobicContact CG2-SD 4.36Å; T580-M584 WeakPolarHBondContact O-CB 3.41Å; T580-M584 VanDerWaalsContact O-CG 3.23Å; T580-M584 WeakPolarHBondContact O-CG 2.97Å; T580-M584 PolarHBondContact O-N 3.35Å; T580-D663 WeakPolarHBondContact CB-OD1 3.38Å; T580-D663 VanDerWaalsContact CG2-OD1 3.32Å; T580-D663 WeakPolarHBondContact CG2-OD1 3.22Å; T580-D663 VanDerWaalsContact OG1-CG 3.27Å; T580-D663 PolarHBondContact OG1-OD1 3.14Å; T580-D663 PolarHBondContact OG1-OD2 3.43Å; T580-I666 HydrophobicContact CG2-CG2 4.04Å; T580-L667 HydrophobicContact CG2-CB 4.21Å
581	A	94.8	Very high	90.3	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.6	-37.4	176.4	0	0	0	0	0	113.3	Y556 Q560 S577 E579 M585	Y556-A581 HydrophobicContact CD2-CB 4.38Å; Q560-A581 HydrophobicContact CB-CB 3.83Å; Q560-A581 HydrophobicContact CG-CB 4.32Å; S577-A581 PolarHBondContact O-N 3Å; E579-A581 VanDerWaalsContact C-N 3.34Å; E579-A581 PolarHBondContact O-N 3.26Å; A581-M585 PolarHBondContact O-N 3.16Å; A581-M585 VanDerWaalsContact O-N 3.15Å
582	R	92.8	Very high	90	Very high	116 Å²	116	51.6 Å²	51.6	44%	0.438	28%	0.278	S	S	.	.	H	α-helix	trans	-67.6	-41.8	173.8	-75	172.6	-174.3	163.2	-1.4	112.2	Y556 R578 E579 T580 M584 M585 A586	Y556-R582 HydrophobicContact CD1-CG 4.36Å; Y556-R582 HydrophobicContact CD2-CG 3.73Å; Y556-R582 HydrophobicContact CE2-CG 4.08Å; Y556-R582 HydrophobicContact CG-CG 3.88Å; Y556-R582 PolarHBondContact OH-NH2 3.39Å; Y556-R582 VanDerWaalsContact OH-NH2 3.13Å; R578-R582 VanDerWaalsContact O-CG 3.3Å; R578-R582 WeakPolarHBondContact O-CG 3.44Å; R578-R582 PolarHBondContact O-N 2.75Å; E579-R582 PolarHBondContact O-N 3.31Å; T580-R582 VanDerWaalsContact C-N 3.34Å; T580-R582 PolarHBondContact O-N 2.96Å; R582-M584 VanDerWaalsContact C-N 3.34Å; R582-M585 WeakPolarHBondContact O-CB 3.29Å; R582-M585 PolarHBondContact O-N 2.84Å; R582-A586 PolarHBondContact O-N 3.38Å
583	S	93.6	Very high	89.7	Confident	8 Å²	8	50.7 Å²	50.7	6%	0.056	27%	0.274	C	S	.	.	H	α-helix	trans	-65.9	-38.9	178.3	-56.5	0	0	0	0	111.3	E579 T580 M585 A586 L587 L667 I670	E579-S583 WeakPolarHBondContact O-CB 3.2Å; E579-S583 PolarHBondContact O-N 2.7Å; E579-S583 PolarHBondContact O-OG 2.86Å; T580-S583 PolarHBondContact O-N 2.78Å; S583-M585 VanDerWaalsContact C-N 3.31Å; S583-M585 PolarHBondContact O-N 2.89Å; S583-A586 PolarHBondContact O-N 2.73Å; S583-L587 PolarHBondContact O-N 3.17Å; S583-L667 VanDerWaalsContact OG-CD1 3.24Å; S583-L667 WeakPolarHBondContact OG-CD1 3.44Å; S583-I670 VanDerWaalsContact C-CG2 3.44Å; S583-I670 VanDerWaalsContact O-CG2 3.23Å; S583-I670 WeakPolarHBondContact O-CG2 3.25Å
584	M	93.7	Very high	89.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-57.4	-45.2	172.1	-74.9	167.6	178.1	0	0	111.6	L559 L563 F576 T580 R582 L604 L608 I666 I670	L559-M584 HydrophobicContact CD2-CB 3.76Å; L559-M584 HydrophobicContact CD2-SD 4.28Å; L563-M584 HydrophobicContact CD1-CE 3.9Å; L563-M584 HydrophobicContact CD1-SD 3.27Å; L563-M584 WeakPolarHBondContact CD1-SD 3.35Å; F576-M584 HydrophobicContact CD1-CE 3.79Å; F576-M584 HydrophobicContact CD2-CE 4.5Å; F576-M584 HydrophobicContact CE1-CE 3.8Å; F576-M584 HydrophobicContact CE2-CE 4.49Å; F576-M584 HydrophobicContact CG-CE 4.15Å; F576-M584 HydrophobicContact CZ-CE 4.14Å; T580-M584 HydrophobicContact CG2-CE 3.55Å; T580-M584 HydrophobicContact CG2-SD 4.36Å; T580-M584 WeakPolarHBondContact O-CB 3.41Å; T580-M584 VanDerWaalsContact O-CG 3.23Å; T580-M584 WeakPolarHBondContact O-CG 2.97Å; T580-M584 PolarHBondContact O-N 3.35Å; R582-M584 VanDerWaalsContact C-N 3.34Å; M584-L604 HydrophobicContact CB-CD1 4.36Å; M584-L604 HydrophobicContact CB-CD2 3.9Å; M584-L604 HydrophobicContact CG-CD1 4.31Å; M584-L604 HydrophobicContact CG-CD2 4.34Å; M584-L608 HydrophobicContact CE-CD1 3.95Å; M584-L608 HydrophobicContact CE-CD2 3.89Å; M584-L608 HydrophobicContact SD-CD1 4.34Å; M584-I666 HydrophobicContact CE-CG2 3.43Å; M584-I666 VanDerWaalsContact CE-CG2 3.43Å; M584-I670 HydrophobicContact CB-CD1 4.12Å; M584-I670 HydrophobicContact CE-CD1 3.86Å; M584-I670 HydrophobicContact CG-CD1 3.11Å; M584-I670 HydrophobicContact CG-CG1 4.47Å; M584-I670 HydrophobicContact SD-CD1 4.36Å
585	M	90.7	Very high	89.1	Confident	14 Å²	14	43.9 Å²	43.9	7%	0.069	25%	0.251	C	S	.	.	H	α-helix	trans	-63.6	-48.6	177	-177.3	157.9	-79.8	0	0	110.7	I554 A581 R582 S583 L587 M588 D589 G594 L596	I554-M585 VanDerWaalsContact O-CE 3.31Å; I554-M585 WeakPolarHBondContact O-CE 3.33Å; A581-M585 PolarHBondContact O-N 3.16Å; A581-M585 VanDerWaalsContact O-N 3.15Å; R582-M585 WeakPolarHBondContact O-CB 3.29Å; R582-M585 PolarHBondContact O-N 2.84Å; S583-M585 VanDerWaalsContact C-N 3.31Å; S583-M585 PolarHBondContact O-N 2.89Å; M585-L587 VanDerWaalsContact C-N 3.28Å; M585-L587 PolarHBondContact O-N 3.09Å; M585-M588 PolarHBondContact O-N 3.45Å; M585-D589 HydrophobicContact CG-CB 4.37Å; M585-D589 WeakPolarHBondContact O-CB 3.47Å; M585-D589 PolarHBondContact O-N 3.5Å; M585-G594 VanDerWaalsContact SD-O 3.41Å; M585-L596 HydrophobicContact CB-CD1 4.41Å; M585-L596 HydrophobicContact CE-CB 4.28Å; M585-L596 HydrophobicContact CE-CD1 3.85Å; M585-L596 HydrophobicContact CE-CG 4.16Å
586	A	88.4	Confident	88.9	Confident	25 Å²	25	43.3 Å²	43.3	21%	0.207	25%	0.246	C	C	.	.	H	α-helix	trans	-61.1	-32.1	179.9	0	0	0	0	0	114	R582 S583 M588 Y703	R582-A586 PolarHBondContact O-N 3.38Å; S583-A586 PolarHBondContact O-N 2.73Å; A586-M588 VanDerWaalsContact C-N 3.28Å; A586-M588 PolarHBondContact O-N 2.95Å; A586-Y703 HydrophobicContact CB-CD1 4.12Å; A586-Y703 VanDerWaalsContact CB-O 3.24Å; A586-Y703 WeakPolarHBondContact CB-O 3.33Å
587	L	88	Confident	88.6	Confident	36 Å²	36	44.2 Å²	44.2	19%	0.188	26%	0.255	C	S	.	.	H	α-helix	trans	-66.9	-30.1	175.2	178.8	64.1	0	0	0	112.7	S583 M585 I670 T674	S583-L587 PolarHBondContact O-N 3.17Å; M585-L587 VanDerWaalsContact C-N 3.28Å; M585-L587 PolarHBondContact O-N 3.09Å; L587-I670 HydrophobicContact CB-CG2 4.02Å; L587-I670 HydrophobicContact CD2-CB 4.46Å; L587-I670 HydrophobicContact CD2-CG1 4.37Å; L587-I670 HydrophobicContact CD2-CG2 4.07Å; L587-T674 WeakPolarHBondContact CD1-OG1 3.45Å
588	M	87.6	Confident	88.3	Confident	16 Å²	16	43.4 Å²	43.4	8%	0.079	25%	0.247	C	C	.	.	H	α-helix	trans	-104.3	-28.5	-172.2	-64.4	-65.9	149.6	0	0	113.7	M585 A586 A590 L596 E600 K603 L604	M585-M588 PolarHBondContact O-N 3.45Å; A586-M588 VanDerWaalsContact C-N 3.28Å; A586-M588 PolarHBondContact O-N 2.95Å; M588-A590 PolarHBondContact O-N 3.28Å; M588-L596 HydrophobicContact CB-CD2 3.41Å; M588-L596 VanDerWaalsContact CB-CD2 3.41Å; M588-L596 HydrophobicContact CB-CG 4.39Å; M588-L596 HydrophobicContact CG-CD2 4.1Å; M588-E600 HydrophobicContact CB-CB 4.35Å; M588-K603 HydrophobicContact SD-CD 4.39Å; M588-L604 HydrophobicContact CE-CB 3.92Å; M588-L604 HydrophobicContact CE-CD1 3.86Å; M588-L604 HydrophobicContact CE-CG 4.49Å; M588-L604 HydrophobicContact CG-CB 3.92Å; M588-L604 HydrophobicContact CG-CD1 4.36Å; M588-L604 HydrophobicContact CG-CD2 4.39Å; M588-L604 HydrophobicContact CG-CG 4.44Å; M588-L604 HydrophobicContact SD-CB 4.03Å
589	D	83.3	Confident	88	Confident	6 Å²	6	41.9 Å²	41.9	3%	0.032	25%	0.247	C	C	.	.			trans	-74.7	64.5	-177.2	-175.3	31.2	0	0	0	111.5	M585 D591 L592 S593 G594	M585-D589 HydrophobicContact CG-CB 4.37Å; M585-D589 WeakPolarHBondContact O-CB 3.47Å; M585-D589 PolarHBondContact O-N 3.5Å; D589-D591 PolarHBondContact O-N 2.96Å; D589-L592 PolarHBondContact O-N 3Å; D589-L592 PolarHBondContact OD1-N 3.04Å; D589-L592 WeakPolarHBondContact OD2-CA 3.47Å; D589-S593 PolarHBondContact OD1-N 3.13Å; D589-S593 PolarHBondContact OD1-OG 3.13Å; D589-S593 PolarHBondContact OD2-N 2.88Å; D589-G594 PolarHBondContact OD1-N 2.84Å; D589-G594 WeakPolarHBondContact OD2-CA 3.34Å; D589-G594 PolarHBondContact OD2-N 3.06Å
590	A	74.4	Confident	87.7	Confident	96 Å²	96	40.8 Å²	40.8	79%	0.793	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-22.5	-176.5	0	0	0	0	0	113.1	M588	M588-A590 PolarHBondContact O-N 3.28Å
591	D	79.8	Confident	87.5	Confident	110 Å²	110	40.9 Å²	40.9	59%	0.588	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-1.2	178.5	72.4	-11.1	0	0	0	113.8	D589 S593	D589-D591 PolarHBondContact O-N 2.96Å; D591-S593 PolarHBondContact O-N 3.05Å; D591-S593 WeakPolarHBondContact OD1-CB 3.2Å; D591-S593 PolarHBondContact OD1-N 3.22Å; D591-S593 VanDerWaalsContact OD1-N 3.09Å; D591-S593 PolarHBondContact OD1-OG 3.24Å; D591-S593 VanDerWaalsContact OD1-OG 3.07Å
592	L	80	Confident	87.2	Confident	80 Å²	80	44 Å²	44	42%	0.419	26%	0.255	S	S	.	.			trans	58.8	31.3	-178.8	-48.6	174.1	0	0	0	112.7	D589 G594 Y703	D589-L592 PolarHBondContact O-N 3Å; D589-L592 PolarHBondContact OD1-N 3.04Å; D589-L592 WeakPolarHBondContact OD2-CA 3.47Å; L592-G594 PolarHBondContact O-N 2.99Å; L592-Y703 HydrophobicContact CD2-CD1 4.02Å; L592-Y703 HydrophobicContact CD2-CE1 3.48Å; L592-Y703 VanDerWaalsContact CD2-CE1 3.48Å; L592-Y703 HydrophobicContact CD2-CE2 4.25Å
593	S	83.6	Confident	86.9	Confident	71 Å²	71	44.5 Å²	44.5	50%	0.497	26%	0.261	S	S	.	.			trans	-69.8	-21	177.4	69.2	0	0	0	0	112.9	D589 D591 G595	D589-S593 PolarHBondContact OD1-N 3.13Å; D589-S593 PolarHBondContact OD1-OG 3.13Å; D589-S593 PolarHBondContact OD2-N 2.88Å; D591-S593 PolarHBondContact O-N 3.05Å; D591-S593 WeakPolarHBondContact OD1-CB 3.2Å; D591-S593 PolarHBondContact OD1-N 3.22Å; D591-S593 VanDerWaalsContact OD1-N 3.09Å; D591-S593 PolarHBondContact OD1-OG 3.24Å; D591-S593 VanDerWaalsContact OD1-OG 3.07Å; S593-G595 PolarHBondContact O-N 2.84Å; S593-G595 PolarHBondContact OG-N 3.38Å; S593-G595 PolarHBondContact OG-O 2.77Å
594	G	82	Confident	86.8	Confident	43 Å²	43	44.1 Å²	44.1	44%	0.443	26%	0.258	S	S	.	.	S	Bend	trans	73.4	14.6	-172.6	0	0	0	0	0	113.6	M585 D589 L592	M585-G594 VanDerWaalsContact SD-O 3.41Å; D589-G594 PolarHBondContact OD1-N 2.84Å; D589-G594 WeakPolarHBondContact OD2-CA 3.34Å; D589-G594 PolarHBondContact OD2-N 3.06Å; L592-G594 PolarHBondContact O-N 2.99Å
595	G	87.6	Confident	86.6	Confident	9 Å²	9	45.2 Å²	45.2	9%	0.093	26%	0.262	C	S	.	.	S	Bend	trans	-136.7	165.8	177.4	0	0	0	0	0	111.5	I554 S593	I554-G595 WeakPolarHBondContact O-CA 3.43Å; S593-G595 PolarHBondContact O-N 2.84Å; S593-G595 PolarHBondContact OG-N 3.38Å; S593-G595 PolarHBondContact OG-O 2.77Å
596	L	89.3	Confident	86.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-119.1	120	178.3	-97.7	161.4	0	0	0	109.6	F544 A553 I554 L559 M585 M588 E600 L604	F544-L596 VanDerWaalsContact CZ-O 3.3Å; F544-L596 WeakPolarHBondContact CZ-O 3.45Å; A553-L596 CarbonylContact C-O 3.6Å; A553-L596 VanDerWaalsContact CA-O 3.24Å; A553-L596 WeakPolarHBondContact CA-O 3.31Å; I554-L596 HydrophobicContact CD1-CB 4.37Å; I554-L596 HydrophobicContact CG1-CB 3.71Å; I554-L596 PolarHBondContact N-O 3.4Å; I554-L596 PolarHBondContact O-N 3.06Å; L559-L596 HydrophobicContact CD1-CD1 4.46Å; L559-L596 HydrophobicContact CD2-CD1 3.75Å; M585-L596 HydrophobicContact CB-CD1 4.41Å; M585-L596 HydrophobicContact CE-CB 4.28Å; M585-L596 HydrophobicContact CE-CD1 3.85Å; M585-L596 HydrophobicContact CE-CG 4.16Å; M588-L596 HydrophobicContact CB-CD2 3.41Å; M588-L596 VanDerWaalsContact CB-CD2 3.41Å; M588-L596 HydrophobicContact CB-CG 4.39Å; M588-L596 HydrophobicContact CG-CD2 4.1Å; L596-E600 HydrophobicContact CD2-CB 3.33Å; L596-E600 HydrophobicContact CD2-CG 4.47Å; L596-L604 HydrophobicContact CD1-CD2 4.43Å
597	G	90.9	Very high	86.6	Confident	21 Å²	21	47.1 Å²	47.1	22%	0.216	27%	0.267	C	S	.	.			trans	-74.4	170.8	168.5	0	0	0	0	0	112.3	F544 E599 E600 F601	F544-G597 VanDerWaalsContact CZ-C 3.5Å; G597-E599 PolarHBondContact O-N 3.04Å; G597-E600 PolarHBondContact N-OE2 2.99Å; G597-E600 PolarHBondContact O-N 3.34Å; G597-F601 WeakPolarHBondContact O-CB 3.44Å; G597-F601 PolarHBondContact O-N 2.93Å
598	F	89.1	Confident	86.8	Confident	24 Å²	24	45.4 Å²	45.4	11%	0.105	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-41.1	-175.2	-178.8	-116.7	0	0	0	113.4	I537 E541 F544 F601 K602	I537-F598 HydrophobicContact CG2-CZ 4.25Å; E541-F598 VanDerWaalsContact CA-CZ 3.49Å; E541-F598 HydrophobicContact CB-CD1 4.49Å; E541-F598 HydrophobicContact CB-CD2 4.46Å; E541-F598 HydrophobicContact CB-CE1 3.72Å; E541-F598 HydrophobicContact CB-CE2 3.72Å; E541-F598 HydrophobicContact CB-CZ 3.29Å; E541-F598 VanDerWaalsContact CD-CE1 3.47Å; E541-F598 HydrophobicContact CG-CD1 3.85Å; E541-F598 HydrophobicContact CG-CD2 4.25Å; E541-F598 HydrophobicContact CG-CE1 3.5Å; E541-F598 HydrophobicContact CG-CE2 3.96Å; E541-F598 HydrophobicContact CG-CG 4.22Å; E541-F598 HydrophobicContact CG-CZ 3.58Å; F544-F598 HydrophobicContact CB-CD2 3.8Å; F544-F598 HydrophobicContact CB-CE2 4.1Å; F544-F598 HydrophobicContact CD1-CB 3.84Å; F544-F598 AromaticContact CD1-CD2 3.68Å; F544-F598 HydrophobicContact CD1-CD2 3.68Å; F544-F598 HydrophobicContact CD1-CG 4.15Å; F544-F598 HydrophobicContact CD2-CD2 4.12Å; F544-F598 HydrophobicContact CE1-CB 3.68Å; F544-F598 HydrophobicContact CE1-CD2 4.3Å; F544-F598 HydrophobicContact CE1-CG 4.47Å; F544-F598 HydrophobicContact CG-CB 4.5Å; F544-F598 AromaticContact CG-CD2 3.59Å; F544-F598 HydrophobicContact CG-CD2 3.59Å; F544-F598 HydrophobicContact CG-CE2 4.36Å; F544-F598 HydrophobicContact CG-CG 4.49Å; F544-F598 HydrophobicContact CZ-CB 4.18Å; F598-F601 HydrophobicContact CD2-CD1 4.23Å; F598-F601 HydrophobicContact CE2-CD1 4.27Å; F598-F601 PolarHBondContact O-N 3.05Å; F598-K602 HydrophobicContact CE1-CD 4.36Å; F598-K602 VanDerWaalsContact O-CB 3.23Å; F598-K602 WeakPolarHBondContact O-CB 3.49Å; F598-K602 PolarHBondContact O-N 3.11Å
599	E	87.3	Confident	86.9	Confident	125 Å²	125	48.7 Å²	48.7	58%	0.584	27%	0.27	S	S	*	.	H	α-helix	trans	-66.7	-39	-179.7	-73	-58.7	147.2	0	0	112.3	G597 K602 K603	G597-E599 PolarHBondContact O-N 3.04Å; E599-K602 PolarHBondContact O-N 3Å; E599-K602 IonicContact OE2-NZ 2.87Å; E599-K603 PolarHBondContact O-N 3.14Å
600	E	89.2	Confident	87.2	Confident	56 Å²	56	52.4 Å²	52.4	26%	0.262	29%	0.289	S	S	.	.	H	α-helix	trans	-66.7	-44.9	175.2	-61.8	166	154.1	0	0	110.8	M588 L596 G597 K602 K603 L604	M588-E600 HydrophobicContact CB-CB 4.35Å; L596-E600 HydrophobicContact CD2-CB 3.33Å; L596-E600 HydrophobicContact CD2-CG 4.47Å; G597-E600 PolarHBondContact N-OE2 2.99Å; G597-E600 PolarHBondContact O-N 3.34Å; E600-K602 VanDerWaalsContact C-N 3.33Å; E600-K602 PolarHBondContact O-N 3.35Å; E600-K603 PolarHBondContact O-N 3.15Å; E600-L604 PolarHBondContact O-N 2.79Å
601	F	90.6	Very high	88.1	Confident	3 Å²	3	48.6 Å²	48.6	1%	0.013	25%	0.254	C	S	.	.	H	α-helix	trans	-59.8	-43.1	174.7	170.9	-104.4	0	0	0	111.8	L540 F544 I554 L559 I562 G597 F598 K603 L604 W605	L540-F601 HydrophobicContact CD2-CE1 3.96Å; L540-F601 HydrophobicContact CD2-CZ 4.16Å; F544-F601 HydrophobicContact CB-CD1 4.47Å; F544-F601 HydrophobicContact CB-CE1 4.49Å; F544-F601 HydrophobicContact CD2-CB 3.97Å; F544-F601 AromaticContact CD2-CD1 3.48Å; F544-F601 HydrophobicContact CD2-CD1 3.48Å; F544-F601 VanDerWaalsContact CD2-CD1 3.48Å; F544-F601 HydrophobicContact CD2-CD2 4.37Å; F544-F601 HydrophobicContact CD2-CE1 4.05Å; F544-F601 AromaticContact CD2-CG 3.66Å; F544-F601 HydrophobicContact CD2-CG 3.66Å; F544-F601 HydrophobicContact CE2-CB 3.62Å; F544-F601 HydrophobicContact CE2-CD1 4.07Å; F544-F601 AromaticContact CE2-CG 3.81Å; F544-F601 HydrophobicContact CE2-CG 3.81Å; F544-F601 HydrophobicContact CG-CD1 4.26Å; I554-F601 HydrophobicContact CD1-CD2 3.83Å; I554-F601 HydrophobicContact CD1-CE2 4.34Å; I554-F601 HydrophobicContact CD1-CG 4.36Å; L559-F601 HydrophobicContact CD1-CD2 3.75Å; L559-F601 HydrophobicContact CD1-CE2 3.75Å; I562-F601 HydrophobicContact CG2-CE2 4.31Å; I562-F601 HydrophobicContact CG2-CZ 3.99Å; G597-F601 WeakPolarHBondContact O-CB 3.44Å; G597-F601 PolarHBondContact O-N 2.93Å; F598-F601 HydrophobicContact CD2-CD1 4.23Å; F598-F601 HydrophobicContact CE2-CD1 4.27Å; F598-F601 PolarHBondContact O-N 3.05Å; F601-K603 PolarHBondContact O-N 3.03Å; F601-L604 PolarHBondContact O-N 2.81Å; F601-W605 HydrophobicContact CE2-CE3 4.17Å; F601-W605 HydrophobicContact CZ-CD2 4.4Å; F601-W605 AromaticContact CZ-CE3 3.69Å; F601-W605 HydrophobicContact CZ-CE3 3.69Å; F601-W605 HydrophobicContact CZ-CZ3 4.22Å; F601-W605 VanDerWaalsContact O-CB 3.25Å; F601-W605 WeakPolarHBondContact O-CB 3.43Å; F601-W605 PolarHBondContact O-N 2.84Å
602	K	88.4	Confident	88.7	Confident	65 Å²	65	44.4 Å²	44.4	28%	0.283	23%	0.23	S	C	.	.	H	α-helix	trans	-61.7	-43.1	178	176.9	-176.7	171.5	-172.6	0	111.4	I537 F598 E599 E600 W605 M606	I537-K602 HydrophobicContact CG2-CD 4.08Å; F598-K602 HydrophobicContact CE1-CD 4.36Å; F598-K602 VanDerWaalsContact O-CB 3.23Å; F598-K602 WeakPolarHBondContact O-CB 3.49Å; F598-K602 PolarHBondContact O-N 3.11Å; E599-K602 PolarHBondContact O-N 3Å; E599-K602 IonicContact OE2-NZ 2.87Å; E600-K602 VanDerWaalsContact C-N 3.33Å; E600-K602 PolarHBondContact O-N 3.35Å; K602-W605 PolarHBondContact O-N 3.28Å; K602-M606 WeakPolarHBondContact O-CG 3.41Å; K602-M606 PolarHBondContact O-N 2.89Å; K602-M606 VanDerWaalsContact O-N 3.1Å
603	K	88	Confident	89.2	Confident	127 Å²	127	44.5 Å²	44.5	55%	0.552	23%	0.234	S	C	*	.	H	α-helix	trans	-61.2	-51.1	175.9	-172.9	-176	175.2	-168	0	111.2	M588 E599 E600 F601 W605 M606 E607	M588-K603 HydrophobicContact SD-CD 4.39Å; E599-K603 PolarHBondContact O-N 3.14Å; E600-K603 PolarHBondContact O-N 3.15Å; F601-K603 PolarHBondContact O-N 3.03Å; K603-W605 VanDerWaalsContact C-N 3.31Å; K603-W605 PolarHBondContact O-N 3.19Å; K603-M606 PolarHBondContact O-N 3.48Å; K603-E607 PolarHBondContact O-N 3.44Å; K603-E607 VanDerWaalsContact O-N 3.13Å
604	L	91.1	Very high	89.7	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-56.2	-45.9	175.9	176.6	64.7	0	0	0	111.8	L559 M584 M588 L596 E600 F601 M606 E607 L608	L559-L604 HydrophobicContact CD1-CD2 4.14Å; L559-L604 HydrophobicContact CD2-CD2 4.03Å; M584-L604 HydrophobicContact CB-CD1 4.36Å; M584-L604 HydrophobicContact CB-CD2 3.9Å; M584-L604 HydrophobicContact CG-CD1 4.31Å; M584-L604 HydrophobicContact CG-CD2 4.34Å; M588-L604 HydrophobicContact CE-CB 3.92Å; M588-L604 HydrophobicContact CE-CD1 3.86Å; M588-L604 HydrophobicContact CE-CG 4.49Å; M588-L604 HydrophobicContact CG-CB 3.92Å; M588-L604 HydrophobicContact CG-CD1 4.36Å; M588-L604 HydrophobicContact CG-CD2 4.39Å; M588-L604 HydrophobicContact CG-CG 4.44Å; M588-L604 HydrophobicContact SD-CB 4.03Å; L596-L604 HydrophobicContact CD1-CD2 4.43Å; E600-L604 PolarHBondContact O-N 2.79Å; F601-L604 PolarHBondContact O-N 2.81Å; L604-M606 VanDerWaalsContact C-N 3.3Å; L604-M606 PolarHBondContact O-N 3.13Å; L604-E607 PolarHBondContact O-N 3.48Å; L604-L608 HydrophobicContact CD1-CD1 4.1Å; L604-L608 HydrophobicContact CD1-CD2 4.43Å; L604-L608 HydrophobicContact CD1-CG 4.03Å; L604-L608 HydrophobicContact CD2-CD1 4.49Å; L604-L608 HydrophobicContact CG-CD1 3.94Å; L604-L608 HydrophobicContact CG-CG 4.25Å; L604-L608 VanDerWaalsContact O-CG 3.31Å; L604-L608 WeakPolarHBondContact O-CG 3.21Å; L604-L608 PolarHBondContact O-N 3.17Å
605	W	90.2	Very high	90.2	Very high	23 Å²	23	39.4 Å²	39.4	9%	0.087	19%	0.191	C	C	.	.	H	α-helix	trans	-58.9	-41.6	-179.5	-179.2	-90.3	0	0	0	112.3	L540 I562 L563 A566 F567 F601 K602 K603 R609	L540-W605 HydrophobicContact CD1-CD2 4.19Å; L540-W605 HydrophobicContact CD1-CG 4.21Å; L540-W605 HydrophobicContact CD1-CZ2 4.08Å; L540-W605 HydrophobicContact CD2-CD2 3.81Å; L540-W605 HydrophobicContact CD2-CE3 4Å; L540-W605 HydrophobicContact CD2-CG 4.42Å; L540-W605 HydrophobicContact CD2-CH2 3.86Å; L540-W605 HydrophobicContact CD2-CZ2 3.71Å; L540-W605 HydrophobicContact CD2-CZ3 4.01Å; L540-W605 HydrophobicContact CG-CZ2 4.41Å; I562-W605 HydrophobicContact CG2-CZ3 4.29Å; L563-W605 HydrophobicContact CD2-CE3 3.75Å; L563-W605 HydrophobicContact CD2-CZ3 3.74Å; A566-W605 HydrophobicContact CB-CH2 3.45Å; A566-W605 VanDerWaalsContact CB-CH2 3.45Å; A566-W605 HydrophobicContact CB-CZ2 4.46Å; A566-W605 HydrophobicContact CB-CZ3 4.06Å; F567-W605 HydrophobicContact CE2-CH2 4.17Å; F567-W605 HydrophobicContact CE2-CZ3 4.09Å; F601-W605 HydrophobicContact CE2-CE3 4.17Å; F601-W605 HydrophobicContact CZ-CD2 4.4Å; F601-W605 AromaticContact CZ-CE3 3.69Å; F601-W605 HydrophobicContact CZ-CE3 3.69Å; F601-W605 HydrophobicContact CZ-CZ3 4.22Å; F601-W605 VanDerWaalsContact O-CB 3.25Å; F601-W605 WeakPolarHBondContact O-CB 3.43Å; F601-W605 PolarHBondContact O-N 2.84Å; K602-W605 PolarHBondContact O-N 3.28Å; K603-W605 VanDerWaalsContact C-N 3.31Å; K603-W605 PolarHBondContact O-N 3.19Å; W605-R609 VanDerWaalsContact NE1-CD 3.28Å; W605-R609 WeakPolarHBondContact O-CG 3.27Å; W605-R609 PolarHBondContact O-N 2.75Å; W605-R609 VanDerWaalsContact O-N 3.08Å
606	M	88.4	Confident	90.4	Very high	28 Å²	28	43 Å²	43	14%	0.138	20%	0.204	C	C	.	.	H	α-helix	trans	-66.5	-43.2	177.5	-68.6	-59.5	172.8	0	0	111.9	D533 I537 K602 K603 L604 R609 I610	D533-M606 HydrophobicContact CB-CE 4.31Å; I537-M606 HydrophobicContact CD1-CE 3.5Å; I537-M606 HydrophobicContact CG1-CE 3.37Å; K602-M606 WeakPolarHBondContact O-CG 3.41Å; K602-M606 PolarHBondContact O-N 2.89Å; K602-M606 VanDerWaalsContact O-N 3.1Å; K603-M606 PolarHBondContact O-N 3.48Å; L604-M606 VanDerWaalsContact C-N 3.3Å; L604-M606 PolarHBondContact O-N 3.13Å; M606-R609 PolarHBondContact O-N 3.46Å; M606-I610 WeakPolarHBondContact O-CG1 3.24Å; M606-I610 PolarHBondContact O-N 2.84Å; M606-I610 VanDerWaalsContact O-N 3.14Å
607	E	89.4	Confident	90.5	Very high	51 Å²	51	50.3 Å²	50.3	24%	0.238	24%	0.236	C	C	.	.	H	α-helix	trans	-60.9	-48.4	175.8	-72.2	179.1	-175.5	0	0	111.6	K603 L604 R609 I610 W611	K603-E607 PolarHBondContact O-N 3.44Å; K603-E607 VanDerWaalsContact O-N 3.13Å; L604-E607 PolarHBondContact O-N 3.48Å; E607-R609 VanDerWaalsContact C-N 3.27Å; E607-R609 PolarHBondContact O-N 2.92Å; E607-I610 WeakPolarHBondContact O-CB 3.19Å; E607-I610 PolarHBondContact O-N 3.44Å; E607-I610 VanDerWaalsContact O-N 3.08Å; E607-W611 HydrophobicContact CB-CZ2 4.43Å; E607-W611 PolarHBondContact O-N 2.9Å
608	L	92.4	Very high	90.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-59.7	-36.8	178.4	-68.6	179	0	0	0	112.3	L563 F567 M584 L604 W611 K612 I666	L563-L608 HydrophobicContact CD1-CD1 3.85Å; L563-L608 HydrophobicContact CD2-CD1 3.75Å; L563-L608 HydrophobicContact CG-CD1 4.5Å; F567-L608 HydrophobicContact CE1-CB 4.21Å; F567-L608 HydrophobicContact CZ-CB 3.87Å; M584-L608 HydrophobicContact CE-CD1 3.95Å; M584-L608 HydrophobicContact CE-CD2 3.89Å; M584-L608 HydrophobicContact SD-CD1 4.34Å; L604-L608 HydrophobicContact CD1-CD1 4.1Å; L604-L608 HydrophobicContact CD1-CD2 4.43Å; L604-L608 HydrophobicContact CD1-CG 4.03Å; L604-L608 HydrophobicContact CD2-CD1 4.49Å; L604-L608 HydrophobicContact CG-CD1 3.94Å; L604-L608 HydrophobicContact CG-CG 4.25Å; L604-L608 VanDerWaalsContact O-CG 3.31Å; L604-L608 WeakPolarHBondContact O-CG 3.21Å; L604-L608 PolarHBondContact O-N 3.17Å; L608-W611 HydrophobicContact CD2-CE3 3.94Å; L608-W611 HydrophobicContact CD2-CZ3 4.12Å; L608-W611 PolarHBondContact O-N 2.87Å; L608-K612 VanDerWaalsContact O-CB 3.28Å; L608-K612 WeakPolarHBondContact O-CB 3.24Å; L608-K612 PolarHBondContact O-N 2.87Å; L608-I666 HydrophobicContact CD2-CD1 4.13Å; L608-I666 HydrophobicContact CD2-CG2 3.56Å
609	R	89.9	Confident	90.5	Very high	84 Å²	84	51.4 Å²	51.4	32%	0.317	24%	0.235	S	C	.	.	H	α-helix	trans	-66.3	-40.1	175.4	-78.6	-175.3	67.1	-149.2	7.7	112.3	D533 W605 M606 E607 T613	D533-R609 IonicContact OD1-CZ 3.56Å; D533-R609 IonicContact OD1-NH1 3.52Å; D533-R609 PolarHBondContact OD1-NH1 2.72Å; D533-R609 IonicContact OD1-NH2 3.61Å; D533-R609 IonicContact OD2-NH1 3.18Å; W605-R609 VanDerWaalsContact NE1-CD 3.28Å; W605-R609 WeakPolarHBondContact O-CG 3.27Å; W605-R609 PolarHBondContact O-N 2.75Å; W605-R609 VanDerWaalsContact O-N 3.08Å; M606-R609 PolarHBondContact O-N 3.46Å; E607-R609 VanDerWaalsContact C-N 3.27Å; E607-R609 PolarHBondContact O-N 2.92Å; R609-T613 WeakPolarHBondContact O-CB 3.45Å; R609-T613 PolarHBondContact O-N 3.12Å; R609-T613 PolarHBondContact O-OG1 2.88Å
610	I	90.3	Very high	90.4	Very high	84 Å²	84	48.5 Å²	48.5	43%	0.431	24%	0.239	S	C	.	.	H	α-helix	trans	-63.2	-50	175.4	-66.6	167.6	0	0	0	109.2	M606 E607 K612 T613 I614	M606-I610 WeakPolarHBondContact O-CG1 3.24Å; M606-I610 PolarHBondContact O-N 2.84Å; M606-I610 VanDerWaalsContact O-N 3.14Å; E607-I610 WeakPolarHBondContact O-CB 3.19Å; E607-I610 PolarHBondContact O-N 3.44Å; E607-I610 VanDerWaalsContact O-N 3.08Å; I610-K612 PolarHBondContact O-N 3Å; I610-T613 WeakPolarHBondContact O-CB 3.27Å; I610-T613 PolarHBondContact O-N 2.77Å; I610-T613 VanDerWaalsContact O-N 3.1Å; I610-I614 HydrophobicContact CG2-CD1 3.91Å; I610-I614 WeakPolarHBondContact O-CG1 3.38Å; I610-I614 PolarHBondContact O-N 3.26Å
611	W	92.9	Very high	90.2	Very high	17 Å²	17	52.5 Å²	52.5	6%	0.064	26%	0.257	C	S	.	.	H	α-helix	trans	-63.2	-39.4	-179.1	-62.8	-15.6	0	0	0	112.8	E607 L608 I614 F615 Y665 I666 L669 I670	E607-W611 HydrophobicContact CB-CZ2 4.43Å; E607-W611 PolarHBondContact O-N 2.9Å; L608-W611 HydrophobicContact CD2-CE3 3.94Å; L608-W611 HydrophobicContact CD2-CZ3 4.12Å; L608-W611 PolarHBondContact O-N 2.87Å; W611-I614 PolarHBondContact O-N 3.05Å; W611-F615 WeakPolarHBondContact O-CB 3.22Å; W611-F615 PolarHBondContact O-N 3.47Å; W611-Y665 HydrophobicContact CB-CE1 4.09Å; W611-Y665 WeakPolarHBondContact O-CE1 3.01Å; W611-Y665 PolarHBondContact O-OH 3.03Å; W611-I666 HydrophobicContact CB-CD1 3.81Å; W611-I666 HydrophobicContact CE3-CD1 3.98Å; W611-L669 HydrophobicContact CB-CD1 3.98Å; W611-L669 HydrophobicContact CD2-CB 4.13Å; W611-L669 HydrophobicContact CD2-CD1 3.56Å; W611-L669 HydrophobicContact CE3-CB 3.95Å; W611-L669 HydrophobicContact CE3-CD1 4Å; W611-L669 HydrophobicContact CG-CD1 3.55Å; W611-L669 HydrophobicContact CH2-CB 4.03Å; W611-L669 HydrophobicContact CZ2-CB 4.17Å; W611-L669 HydrophobicContact CZ3-CB 3.92Å; W611-I670 HydrophobicContact CH2-CG1 4.14Å; W611-I670 HydrophobicContact CZ3-CD1 4.49Å; W611-I670 HydrophobicContact CZ3-CG1 3.6Å
612	K	92.2	Very high	90.2	Very high	22 Å²	22	56.2 Å²	56.2	10%	0.096	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-44	171.3	-169.6	-166	-162.3	-176	0	111.6	F567 D570 F571 L608 I610 I614 F615 K616 F662	F567-K612 HydrophobicContact CD1-CB 4.4Å; F567-K612 HydrophobicContact CD1-CD 3.61Å; F567-K612 HydrophobicContact CD1-CG 4.15Å; F567-K612 HydrophobicContact CE1-CB 3.93Å; F567-K612 HydrophobicContact CE1-CD 3.69Å; F567-K612 HydrophobicContact CE1-CG 4.15Å; D570-K612 IonicContact OD1-NZ 3.55Å; D570-K612 WeakPolarHBondContact OD2-CE 3.36Å; D570-K612 IonicContact OD2-NZ 3.84Å; D570-K612 PolarHBondContact OD2-NZ 3.41Å; F571-K612 HydrophobicContact CE1-CG 4.19Å; F571-K612 HydrophobicContact CZ-CG 4.5Å; L608-K612 VanDerWaalsContact O-CB 3.28Å; L608-K612 WeakPolarHBondContact O-CB 3.24Å; L608-K612 PolarHBondContact O-N 2.87Å; I610-K612 PolarHBondContact O-N 3Å; K612-I614 VanDerWaalsContact C-N 3.29Å; K612-I614 PolarHBondContact O-N 2.71Å; K612-F615 PolarHBondContact O-N 3Å; K612-K616 HydrophobicContact CG-CD 4.33Å; K612-K616 WeakPolarHBondContact O-CG 3.44Å; K612-K616 PolarHBondContact O-N 2.78Å; K612-F662 HydrophobicContact CB-CE2 4.31Å; K612-F662 HydrophobicContact CB-CZ 3.99Å; K612-F662 HydrophobicContact CG-CE2 4.24Å; K612-F662 HydrophobicContact CG-CZ 3.88Å
613	T	91.3	Very high	90.4	Very high	81 Å²	81	53.4 Å²	53.4	50%	0.497	27%	0.27	S	S	.	.	H	α-helix	trans	-63.7	-38.4	179.5	-57.7	0	0	0	0	111.1	R609 I610 K617	R609-T613 WeakPolarHBondContact O-CB 3.45Å; R609-T613 PolarHBondContact O-N 3.12Å; R609-T613 PolarHBondContact O-OG1 2.88Å; I610-T613 WeakPolarHBondContact O-CB 3.27Å; I610-T613 PolarHBondContact O-N 2.77Å; I610-T613 VanDerWaalsContact O-N 3.1Å; T613-K617 WeakPolarHBondContact O-CG 3.45Å
614	I	92.3	Very high	90.7	Very high	7 Å²	7	47.9 Å²	47.9	4%	0.036	25%	0.247	C	C	.	.	H	α-helix	trans	-68	-48.2	174.9	-65.2	166.9	0	0	0	110	M522 I610 W611 K612 K616 K617 F618 V633 T636 V637	M522-I614 HydrophobicContact CE-CD1 3.55Å; I610-I614 HydrophobicContact CG2-CD1 3.91Å; I610-I614 WeakPolarHBondContact O-CG1 3.38Å; I610-I614 PolarHBondContact O-N 3.26Å; W611-I614 PolarHBondContact O-N 3.05Å; K612-I614 VanDerWaalsContact C-N 3.29Å; K612-I614 PolarHBondContact O-N 2.71Å; I614-K616 VanDerWaalsContact C-N 3.31Å; I614-K616 PolarHBondContact O-N 3.18Å; I614-K617 WeakPolarHBondContact O-CB 3.34Å; I614-K617 PolarHBondContact O-N 3.45Å; I614-F618 HydrophobicContact CG2-CD2 4.37Å; I614-F618 HydrophobicContact CG2-CE2 4.08Å; I614-F618 WeakPolarHBondContact O-CD2 3.37Å; I614-V633 HydrophobicContact CG2-CG1 4.04Å; I614-T636 HydrophobicContact CD1-CG2 4.49Å; I614-T636 HydrophobicContact CG1-CG2 4.46Å; I614-T636 HydrophobicContact CG2-CG2 4.02Å; I614-V637 HydrophobicContact CB-CG2 4.45Å; I614-V637 HydrophobicContact CD1-CB 4.39Å; I614-V637 HydrophobicContact CD1-CG2 3.71Å; I614-V637 HydrophobicContact CG2-CG2 4.03Å
615	F	93.5	Very high	90.9	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-51.1	-49.4	177.1	-178.2	-87.8	0	0	0	112	F571 W611 K612 K617 F618 D619 L625 F662 Y665	F571-F615 HydrophobicContact CE1-CD1 4.44Å; F571-F615 HydrophobicContact CE2-CE1 4.18Å; F571-F615 HydrophobicContact CZ-CD1 4.25Å; F571-F615 HydrophobicContact CZ-CE1 4.22Å; W611-F615 WeakPolarHBondContact O-CB 3.22Å; W611-F615 PolarHBondContact O-N 3.47Å; K612-F615 PolarHBondContact O-N 3Å; F615-K617 PolarHBondContact O-N 3.39Å; F615-K617 VanDerWaalsContact O-N 3.1Å; F615-F618 PolarHBondContact O-N 2.85Å; F615-D619 HydrophobicContact CD1-CB 3.9Å; F615-D619 HydrophobicContact CE1-CB 3.59Å; F615-D619 HydrophobicContact CZ-CB 4.25Å; F615-D619 PolarHBondContact O-N 3.05Å; F615-L625 HydrophobicContact CD2-CD1 3.49Å; F615-L625 VanDerWaalsContact CD2-CD1 3.49Å; F615-L625 HydrophobicContact CD2-CD2 4.18Å; F615-L625 HydrophobicContact CD2-CG 3.7Å; F615-L625 HydrophobicContact CE2-CD1 3.66Å; F615-L625 HydrophobicContact CE2-CD2 4.19Å; F615-L625 HydrophobicContact CE2-CG 3.45Å; F615-L625 VanDerWaalsContact CE2-CG 3.45Å; F615-L625 HydrophobicContact CZ-CG 4.17Å; F615-F662 HydrophobicContact CB-CD2 4.15Å; F615-F662 HydrophobicContact CB-CE2 4Å; F615-F662 AromaticContact CD1-CD2 3.63Å; F615-F662 HydrophobicContact CD1-CD2 3.63Å; F615-F662 HydrophobicContact CD1-CE2 4.14Å; F615-F662 AromaticContact CD2-CD2 3.6Å; F615-F662 HydrophobicContact CD2-CD2 3.6Å; F615-F662 HydrophobicContact CD2-CE2 4.25Å; F615-F662 HydrophobicContact CE1-CB 4.15Å; F615-F662 AromaticContact CE1-CD2 3.82Å; F615-F662 HydrophobicContact CE1-CD2 3.82Å; F615-F662 HydrophobicContact CE1-CG 4.32Å; F615-F662 HydrophobicContact CE2-CB 4.07Å; F615-F662 AromaticContact CE2-CD2 3.75Å; F615-F662 HydrophobicContact CE2-CD2 3.75Å; F615-F662 HydrophobicContact CE2-CG 4.42Å; F615-F662 AromaticContact CG-CD2 3.52Å; F615-F662 HydrophobicContact CG-CD2 3.52Å; F615-F662 AromaticContact CG-CE2 3.89Å; F615-F662 HydrophobicContact CG-CE2 3.89Å; F615-F662 HydrophobicContact CZ-CB 3.75Å; F615-F662 AromaticContact CZ-CD2 3.88Å; F615-F662 HydrophobicContact CZ-CD2 3.88Å; F615-F662 HydrophobicContact CZ-CG 4.27Å; F615-Y665 HydrophobicContact CB-CD1 4.26Å; F615-Y665 HydrophobicContact CB-CE1 3.81Å; F615-Y665 AromaticContact CD2-CD1 3.59Å; F615-Y665 HydrophobicContact CD2-CD1 3.59Å; F615-Y665 HydrophobicContact CD2-CD2 4.47Å; F615-Y665 AromaticContact CD2-CE1 3.97Å; F615-Y665 HydrophobicContact CD2-CE1 3.97Å; F615-Y665 AromaticContact CD2-CG 3.85Å; F615-Y665 HydrophobicContact CD2-CG 3.85Å; F615-Y665 HydrophobicContact CE2-CD1 4.34Å; F615-Y665 HydrophobicContact CE2-CG 4.34Å; F615-Y665 HydrophobicContact CG-CD1 4.29Å; F615-Y665 HydrophobicContact CG-CE1 4.34Å
616	K	91.9	Very high	91	Very high	86 Å²	86	51 Å²	51	37%	0.374	26%	0.263	S	S	.	.	H	α-helix	trans	-61.9	-18.2	178.8	-71	178.1	76.7	171.8	0	114.6	D570 F571 K612 I614 F618	D570-K616 IonicContact OD2-NZ 2.76Å; D570-K616 PolarHBondContact OD2-NZ 3.03Å; F571-K616 HydrophobicContact CD1-CD 4.36Å; F571-K616 HydrophobicContact CD1-CG 4.13Å; F571-K616 HydrophobicContact CE1-CD 4.21Å; F571-K616 HydrophobicContact CE1-CG 3.95Å; K612-K616 HydrophobicContact CG-CD 4.33Å; K612-K616 WeakPolarHBondContact O-CG 3.44Å; K612-K616 PolarHBondContact O-N 2.78Å; I614-K616 VanDerWaalsContact C-N 3.31Å; I614-K616 PolarHBondContact O-N 3.18Å; K616-F618 VanDerWaalsContact C-N 3.34Å
617	K	91.2	Very high	91.3	Very high	152 Å²	152	49.8 Å²	49.8	66%	0.661	26%	0.257	S	S	*	.	H	α-helix	trans	-76.1	-25.4	174.9	-70.1	175.5	180	179.8	0	112.5	T613 I614 F615	T613-K617 WeakPolarHBondContact O-CG 3.45Å; I614-K617 WeakPolarHBondContact O-CB 3.34Å; I614-K617 PolarHBondContact O-N 3.45Å; F615-K617 PolarHBondContact O-N 3.39Å; F615-K617 VanDerWaalsContact O-N 3.1Å
618	F	90.4	Very high	91.4	Very high	59 Å²	59	48 Å²	48	26%	0.259	25%	0.248	S	C	.	.	H	α-helix	trans	-105.9	-30.7	-177.6	-66.2	-93.6	0	0	0	111.8	I614 F615 K616 G620 L625 N632 V633	I614-F618 HydrophobicContact CG2-CD2 4.37Å; I614-F618 HydrophobicContact CG2-CE2 4.08Å; I614-F618 WeakPolarHBondContact O-CD2 3.37Å; F615-F618 PolarHBondContact O-N 2.85Å; K616-F618 VanDerWaalsContact C-N 3.34Å; F618-G620 PolarHBondContact O-N 2.8Å; F618-L625 HydrophobicContact CB-CD2 3.53Å; F618-N632 HydrophobicContact CE1-CB 4.4Å; F618-V633 HydrophobicContact CB-CG2 4Å; F618-V633 HydrophobicContact CD1-CG2 3.85Å; F618-V633 HydrophobicContact CD2-CG2 3.67Å; F618-V633 HydrophobicContact CE1-CG2 4.19Å; F618-V633 HydrophobicContact CE2-CG2 4.03Å; F618-V633 HydrophobicContact CG-CG2 3.58Å; F618-V633 HydrophobicContact CZ-CG2 4.27Å
619	D	89.6	Confident	91.4	Very high	10 Å²	10	51 Å²	51	5%	0.053	26%	0.262	C	S	.	.			trans	-68.6	123	175.2	177.6	36.9	0	0	0	111.6	F615 H621 T622 G623 S624 L625	F615-D619 HydrophobicContact CD1-CB 3.9Å; F615-D619 HydrophobicContact CE1-CB 3.59Å; F615-D619 HydrophobicContact CZ-CB 4.25Å; F615-D619 PolarHBondContact O-N 3.05Å; D619-H621 PolarHBondContact O-N 2.89Å; D619-H621 PolarHBondContact OD1-N 3.2Å; D619-H621 WeakPolarHBondContact OD2-CA 3.17Å; D619-H621 PolarHBondContact OD2-N 3.42Å; D619-T622 WeakPolarHBondContact OD1-CA 3.23Å; D619-T622 PolarHBondContact OD1-N 3.43Å; D619-T622 PolarHBondContact OD1-OG1 2.96Å; D619-T622 PolarHBondContact OD2-N 3.46Å; D619-G623 PolarHBondContact OD1-N 2.85Å; D619-G623 VanDerWaalsContact OD1-N 3.11Å; D619-G623 PolarHBondContact OD2-N 3.47Å; D619-G623 VanDerWaalsContact OD2-N 3.11Å; D619-S624 PolarHBondContact OD1-N 3.1Å; D619-S624 VanDerWaalsContact OD1-O 3.12Å; D619-L625 HydrophobicContact CB-CD2 4.47Å
620	G	85	Confident	91.5	Very high	64 Å²	64	47 Å²	47	66%	0.66	25%	0.247	S	C	*	.			trans	-74.8	33.3	170.7	0	0	0	0	0	114	F618 T622	F618-G620 PolarHBondContact O-N 2.8Å; G620-T622 VanDerWaalsContact C-N 3.32Å
621	H	85.8	Confident	91.6	Very high	140 Å²	140	43.4 Å²	43.4	65%	0.648	23%	0.228	S	C	*	.	S	Bend	trans	63.2	29.3	-172.8	-57.5	-71.1	0	0	0	115.3	D619	D619-H621 PolarHBondContact O-N 2.89Å; D619-H621 PolarHBondContact OD1-N 3.2Å; D619-H621 WeakPolarHBondContact OD2-CA 3.17Å; D619-H621 PolarHBondContact OD2-N 3.42Å
622	T	90.5	Very high	91.5	Very high	81 Å²	81	44.3 Å²	44.3	50%	0.497	23%	0.234	S	C	.	.	S	Bend	trans	-93.6	-17	177	66.3	0	0	0	0	113	D619 G620 S624	D619-T622 WeakPolarHBondContact OD1-CA 3.23Å; D619-T622 PolarHBondContact OD1-N 3.43Å; D619-T622 PolarHBondContact OD1-OG1 2.96Å; D619-T622 PolarHBondContact OD2-N 3.46Å; G620-T622 VanDerWaalsContact C-N 3.32Å; T622-S624 VanDerWaalsContact C-N 3.3Å; T622-S624 PolarHBondContact OG1-N 2.92Å; T622-S624 PolarHBondContact OG1-O 3.06Å; T622-S624 PolarHBondContact OG1-OG 3.05Å
623	G	92.6	Very high	91.5	Very high	5 Å²	5	43.3 Å²	43.3	5%	0.052	23%	0.23	C	C	.	.	S	Bend	trans	78.3	15.3	-169.5	0	0	0	0	0	113.5	P572 D619 F662	P572-G623 WeakPolarHBondContact O-CA 3.36Å; D619-G623 PolarHBondContact OD1-N 2.85Å; D619-G623 VanDerWaalsContact OD1-N 3.11Å; D619-G623 PolarHBondContact OD2-N 3.47Å; D619-G623 VanDerWaalsContact OD2-N 3.11Å; G623-F662 PolarHBondContact O-N 3.06Å
624	S	94.4	Very high	91.5	Very high	11 Å²	11	39.5 Å²	39.5	8%	0.077	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	157	-178.5	70.3	0	0	0	0	112.5	D619 T622 I660	D619-S624 PolarHBondContact OD1-N 3.1Å; D619-S624 VanDerWaalsContact OD1-O 3.12Å; T622-S624 VanDerWaalsContact C-N 3.3Å; T622-S624 PolarHBondContact OG1-N 2.92Å; T622-S624 PolarHBondContact OG1-O 3.06Å; T622-S624 PolarHBondContact OG1-OG 3.05Å; S624-I660 CarbonylContact C-O 3.57Å; S624-I660 VanDerWaalsContact CA-O 3.31Å; S624-I660 WeakPolarHBondContact CA-O 3.5Å
625	L	94.6	Very high	91.4	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	144	171.6	-64	170	0	0	0	110.2	F615 F618 D619 V633 Q659 I660 Y665	F615-L625 HydrophobicContact CD2-CD1 3.49Å; F615-L625 VanDerWaalsContact CD2-CD1 3.49Å; F615-L625 HydrophobicContact CD2-CD2 4.18Å; F615-L625 HydrophobicContact CD2-CG 3.7Å; F615-L625 HydrophobicContact CE2-CD1 3.66Å; F615-L625 HydrophobicContact CE2-CD2 4.19Å; F615-L625 HydrophobicContact CE2-CG 3.45Å; F615-L625 VanDerWaalsContact CE2-CG 3.45Å; F615-L625 HydrophobicContact CZ-CG 4.17Å; F618-L625 HydrophobicContact CB-CD2 3.53Å; D619-L625 HydrophobicContact CB-CD2 4.47Å; L625-V633 HydrophobicContact CD1-CG1 4.17Å; L625-V633 HydrophobicContact CD1-CG2 4.07Å; L625-V633 HydrophobicContact CD2-CG2 4.43Å; L625-Q659 CarbonylContact O-C 3.41Å; L625-Q659 VanDerWaalsContact O-CA 3.3Å; L625-Q659 WeakPolarHBondContact O-CA 3.1Å; L625-I660 PolarHBondContact N-O 3.19Å; L625-I660 PolarHBondContact O-N 2.87Å; L625-Y665 HydrophobicContact CD1-CD2 4.04Å; L625-Y665 HydrophobicContact CD1-CE2 4.42Å; L625-Y665 HydrophobicContact CD1-CG 4.41Å
626	E	93.3	Very high	91.2	Very high	89 Å²	89	44.1 Å²	44.1	42%	0.416	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	135.3	166.5	-67.4	-65.7	146.8	0	0	109.7	F628 E629 L630	E626-F628 PolarHBondContact O-N 2.96Å; E626-E629 HydrophobicContact CB-CG 4.24Å; E626-E629 WeakPolarHBondContact O-CB 3.32Å; E626-E629 PolarHBondContact O-N 3.24Å; E626-L630 PolarHBondContact O-N 3.41Å
627	A	93.5	Very high	91.1	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.008	22%	0.215	C	C	.	.	H	α-helix	trans	-58.9	-34.4	-174	0	0	0	0	0	113.4	N376 E629 L630 A654 G658 I660	N376-A627 HydrophobicContact CB-CB 3.68Å; N376-A627 WeakPolarHBondContact O-CB 3.43Å; A627-E629 PolarHBondContact O-N 3.45Å; A627-L630 VanDerWaalsContact O-CB 3.22Å; A627-L630 WeakPolarHBondContact O-CB 3.43Å; A627-L630 PolarHBondContact O-N 2.99Å; A627-A654 HydrophobicContact CB-CB 4.01Å; A627-G658 WeakPolarHBondContact CB-O 3.24Å; A627-G658 PolarHBondContact N-O 2.62Å; A627-I660 HydrophobicContact CB-CD1 4.34Å
628	F	92.4	Very high	91.1	Very high	14 Å²	14	33.4 Å²	33.4	6%	0.061	19%	0.186	C	C	.	.	H	α-helix	trans	-65.6	-25.1	175.2	-70.3	-66.9	0	0	0	113.5	S377 A379 T388 Y390 M391 N493 E626	S377-F628 WeakPolarHBondContact O-CD1 3.15Å; S377-F628 VanDerWaalsContact O-CE1 3.29Å; S377-F628 WeakPolarHBondContact O-CE1 3.45Å; A379-F628 VanDerWaalsContact O-CZ 3.3Å; A379-F628 WeakPolarHBondContact O-CZ 3.22Å; T388-F628 HydrophobicContact CG2-CB 3.88Å; T388-F628 HydrophobicContact CG2-CD1 4.21Å; T388-F628 HydrophobicContact CG2-CD2 3.46Å; T388-F628 VanDerWaalsContact CG2-CD2 3.46Å; T388-F628 HydrophobicContact CG2-CE2 3.96Å; T388-F628 HydrophobicContact CG2-CG 3.59Å; Y390-F628 PolarHBondContact OH-O 2.91Å; M391-F628 HydrophobicContact CB-CD1 4.07Å; M391-F628 HydrophobicContact CB-CE1 4.42Å; M391-F628 HydrophobicContact CE-CD1 4.48Å; M391-F628 HydrophobicContact CG-CD1 3.96Å; N493-F628 WeakPolarHBondContact OD1-CE2 3.43Å; N493-F628 VanDerWaalsContact OD1-CZ 3.24Å; N493-F628 WeakPolarHBondContact OD1-CZ 3.48Å; E626-F628 PolarHBondContact O-N 2.96Å
629	E	91.3	Very high	91.1	Very high	63 Å²	63	31 Å²	31	29%	0.294	18%	0.175	S	C	.	.	H	α-helix	trans	-80.4	-24.8	176.2	-63.2	-168.2	139.3	0	0	112.1	E626 A627 R631 N632 V633	E626-E629 HydrophobicContact CB-CG 4.24Å; E626-E629 WeakPolarHBondContact O-CB 3.32Å; E626-E629 PolarHBondContact O-N 3.24Å; A627-E629 PolarHBondContact O-N 3.45Å; E629-R631 PolarHBondContact O-N 3.2Å; E629-R631 VanDerWaalsContact O-N 3.09Å; E629-N632 PolarHBondContact O-N 2.95Å; E629-V633 WeakPolarHBondContact O-CG2 3.42Å; E629-V633 PolarHBondContact O-N 3.05Å
630	L	93.5	Very high	91.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-52.1	-39.1	-175.4	-175.2	71.2	0	0	0	112.5	E626 A627 N632 V633 M634 F646 I649 I660 Y665 L668	E626-L630 PolarHBondContact O-N 3.41Å; A627-L630 VanDerWaalsContact O-CB 3.22Å; A627-L630 WeakPolarHBondContact O-CB 3.43Å; A627-L630 PolarHBondContact O-N 2.99Å; L630-N632 VanDerWaalsContact C-N 3.3Å; L630-N632 PolarHBondContact O-N 2.77Å; L630-V633 WeakPolarHBondContact O-CB 3.47Å; L630-V633 PolarHBondContact O-N 2.86Å; L630-V633 VanDerWaalsContact O-N 3.16Å; L630-M634 HydrophobicContact CD1-CG 4.38Å; L630-M634 HydrophobicContact CD2-SD 4.17Å; L630-M634 HydrophobicContact CG-CG 4.17Å; L630-M634 HydrophobicContact CG-SD 4.06Å; L630-M634 WeakPolarHBondContact O-CB 3.42Å; L630-M634 VanDerWaalsContact O-CG 3.32Å; L630-M634 WeakPolarHBondContact O-CG 3.47Å; L630-M634 PolarHBondContact O-N 2.79Å; L630-F646 HydrophobicContact CB-CE2 4.17Å; L630-F646 HydrophobicContact CB-CZ 4.14Å; L630-F646 HydrophobicContact CD2-CE2 3.98Å; L630-F646 HydrophobicContact CD2-CZ 4.37Å; L630-F646 HydrophobicContact CG-CE2 4.22Å; L630-I649 HydrophobicContact CD2-CG2 3.42Å; L630-I649 VanDerWaalsContact CD2-CG2 3.42Å; L630-I660 HydrophobicContact CB-CD1 3.86Å; L630-I660 HydrophobicContact CD1-CD1 3.81Å; L630-I660 HydrophobicContact CD2-CD1 3.32Å; L630-I660 HydrophobicContact CG-CD1 3.82Å; L630-Y665 HydrophobicContact CD1-CD2 4.22Å; L630-L668 HydrophobicContact CD1-CD2 4.14Å; L630-L668 HydrophobicContact CD2-CD2 3.87Å; L630-L668 HydrophobicContact CG-CD2 4.47Å
631	R	92.1	Very high	91.6	Very high	7 Å²	7	29.3 Å²	29.3	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-60.3	-41	179.2	-177.4	165.4	-88.5	-168.8	-18.5	112	M391 E629 R635 S642 N643 F646	M391-R631 HydrophobicContact CE-CB 3.91Å; M391-R631 HydrophobicContact SD-CB 4.17Å; E629-R631 PolarHBondContact O-N 3.2Å; E629-R631 VanDerWaalsContact O-N 3.09Å; R631-R635 VanDerWaalsContact O-CG 3.32Å; R631-R635 WeakPolarHBondContact O-CG 3.43Å; R631-R635 PolarHBondContact O-N 3.27Å; R631-S642 PolarHBondContact NH2-O 2.66Å; R631-N643 VanDerWaalsContact CZ-OD1 3.25Å; R631-N643 PolarHBondContact NH1-OD1 3.45Å; R631-N643 PolarHBondContact NH2-OD1 3.38Å; R631-F646 HydrophobicContact CB-CD2 4.16Å; R631-F646 HydrophobicContact CB-CE1 4.43Å; R631-F646 HydrophobicContact CB-CE2 3.54Å; R631-F646 HydrophobicContact CB-CZ 3.7Å; R631-F646 HydrophobicContact CG-CE2 4.38Å; R631-F646 VanDerWaalsContact NH2-CB 3.29Å
632	N	89.4	Confident	91.9	Very high	37 Å²	37	23.5 Å²	23.5	20%	0.198	13%	0.125	C	C	.	.	H	α-helix	trans	-72.4	-36.4	176.5	-66.6	-32.9	0	0	0	111.7	Y390 F618 E629 L630 R635 T636	Y390-N632 PolarHBondContact OH-ND2 3.28Å; F618-N632 HydrophobicContact CE1-CB 4.4Å; E629-N632 PolarHBondContact O-N 2.95Å; L630-N632 VanDerWaalsContact C-N 3.3Å; L630-N632 PolarHBondContact O-N 2.77Å; N632-R635 PolarHBondContact O-N 3.28Å; N632-T636 WeakPolarHBondContact O-CB 3.35Å; N632-T636 PolarHBondContact O-N 3.25Å; N632-T636 PolarHBondContact O-OG1 2.86Å
633	V	92.5	Very high	91.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.3	-51	173.4	-179.3	0	0	0	0	109.7	I614 F618 L625 E629 L630 R635 T636 V637 Y665	I614-V633 HydrophobicContact CG2-CG1 4.04Å; F618-V633 HydrophobicContact CB-CG2 4Å; F618-V633 HydrophobicContact CD1-CG2 3.85Å; F618-V633 HydrophobicContact CD2-CG2 3.67Å; F618-V633 HydrophobicContact CE1-CG2 4.19Å; F618-V633 HydrophobicContact CE2-CG2 4.03Å; F618-V633 HydrophobicContact CG-CG2 3.58Å; F618-V633 HydrophobicContact CZ-CG2 4.27Å; L625-V633 HydrophobicContact CD1-CG1 4.17Å; L625-V633 HydrophobicContact CD1-CG2 4.07Å; L625-V633 HydrophobicContact CD2-CG2 4.43Å; E629-V633 WeakPolarHBondContact O-CG2 3.42Å; E629-V633 PolarHBondContact O-N 3.05Å; L630-V633 WeakPolarHBondContact O-CB 3.47Å; L630-V633 PolarHBondContact O-N 2.86Å; L630-V633 VanDerWaalsContact O-N 3.16Å; V633-R635 PolarHBondContact O-N 3.38Å; V633-T636 CarbonylContact O-C 3.46Å; V633-T636 WeakPolarHBondContact O-CA 3.32Å; V633-T636 VanDerWaalsContact O-CB 3.32Å; V633-T636 WeakPolarHBondContact O-CB 3.32Å; V633-T636 PolarHBondContact O-N 2.84Å; V633-V637 WeakPolarHBondContact O-CG2 3.39Å; V633-V637 PolarHBondContact O-N 3.45Å; V633-Y665 HydrophobicContact CG1-CD2 4.47Å; V633-Y665 HydrophobicContact CG1-CE2 3.56Å
634	M	92.1	Very high	91.7	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-58.4	-46.8	177.5	-74.2	-178.1	67.7	0	0	112.3	L630 T636 V637 G638 F639 V641 F646 I649 L668 L672	L630-M634 HydrophobicContact CD1-CG 4.38Å; L630-M634 HydrophobicContact CD2-SD 4.17Å; L630-M634 HydrophobicContact CG-CG 4.17Å; L630-M634 HydrophobicContact CG-SD 4.06Å; L630-M634 WeakPolarHBondContact O-CB 3.42Å; L630-M634 VanDerWaalsContact O-CG 3.32Å; L630-M634 WeakPolarHBondContact O-CG 3.47Å; L630-M634 PolarHBondContact O-N 2.79Å; M634-T636 VanDerWaalsContact C-N 3.25Å; M634-T636 PolarHBondContact O-N 2.78Å; M634-V637 CarbonylContact O-C 3.58Å; M634-V637 WeakPolarHBondContact O-CA 3.42Å; M634-V637 WeakPolarHBondContact O-CB 3.42Å; M634-V637 PolarHBondContact O-N 2.98Å; M634-G638 PolarHBondContact O-N 3.48Å; M634-F639 CarbonylContact C-O 3.57Å; M634-F639 HydrophobicContact CB-CB 4.1Å; M634-F639 HydrophobicContact CE-CB 3.84Å; M634-F639 PolarHBondContact O-N 3.17Å; M634-V641 HydrophobicContact CE-CB 4.46Å; M634-V641 HydrophobicContact CE-CG1 3.79Å; M634-V641 HydrophobicContact CE-CG2 3.76Å; M634-V641 HydrophobicContact SD-CG2 4.42Å; M634-F646 HydrophobicContact SD-CD2 4.4Å; M634-F646 HydrophobicContact SD-CE2 4.33Å; M634-I649 HydrophobicContact CE-CD1 3.75Å; M634-I649 HydrophobicContact SD-CD1 4Å; M634-L668 HydrophobicContact SD-CD2 4.4Å; M634-L672 HydrophobicContact CE-CD1 3.58Å
635	R	89.4	Confident	91.7	Very high	48 Å²	48	29.7 Å²	29.7	18%	0.181	15%	0.149	C	C	.	.	H	α-helix	trans	-58.9	-38.6	174.6	-75.7	174.8	176.1	173.5	-5.4	111.9	D515 R631 N632 V633 V637 G638 F639	D515-R635 IonicContact OD1-NH2 2.75Å; D515-R635 PolarHBondContact OD1-NH2 2.76Å; D515-R635 IonicContact OD2-CZ 3.22Å; D515-R635 VanDerWaalsContact OD2-CZ 3.28Å; D515-R635 IonicContact OD2-NE 2.81Å; D515-R635 PolarHBondContact OD2-NE 2.95Å; D515-R635 IonicContact OD2-NH2 2.7Å; D515-R635 PolarHBondContact OD2-NH2 3Å; R631-R635 VanDerWaalsContact O-CG 3.32Å; R631-R635 WeakPolarHBondContact O-CG 3.43Å; R631-R635 PolarHBondContact O-N 3.27Å; N632-R635 PolarHBondContact O-N 3.28Å; V633-R635 PolarHBondContact O-N 3.38Å; R635-V637 VanDerWaalsContact C-N 3.33Å; R635-G638 PolarHBondContact O-N 2.85Å; R635-G638 VanDerWaalsContact O-N 3.11Å; R635-F639 WeakPolarHBondContact CA-O 3.32Å; R635-F639 PolarHBondContact N-O 3.09Å
636	T	89.4	Confident	91.6	Very high	57 Å²	57	29.7 Å²	29.7	35%	0.35	15%	0.149	S	C	.	.	H	α-helix	trans	-66	-36.8	175.7	-55.3	0	0	0	0	111.4	M522 I614 N632 V633 M634 G638	M522-T636 WeakPolarHBondContact CE-O 3.42Å; I614-T636 HydrophobicContact CD1-CG2 4.49Å; I614-T636 HydrophobicContact CG1-CG2 4.46Å; I614-T636 HydrophobicContact CG2-CG2 4.02Å; N632-T636 WeakPolarHBondContact O-CB 3.35Å; N632-T636 PolarHBondContact O-N 3.25Å; N632-T636 PolarHBondContact O-OG1 2.86Å; V633-T636 CarbonylContact O-C 3.46Å; V633-T636 WeakPolarHBondContact O-CA 3.32Å; V633-T636 VanDerWaalsContact O-CB 3.32Å; V633-T636 WeakPolarHBondContact O-CB 3.32Å; V633-T636 PolarHBondContact O-N 2.84Å; M634-T636 VanDerWaalsContact C-N 3.25Å; M634-T636 PolarHBondContact O-N 2.78Å; T636-G638 PolarHBondContact O-N 2.85Å
637	V	90.7	Very high	91.5	Very high	8 Å²	8	28.5 Å²	28.5	5%	0.048	14%	0.143	C	C	.	.	H	α-helix	trans	-70.8	-19.7	172.9	-178.8	0	0	0	0	112	M522 I614 V633 M634 R635 F639 L669	M522-V637 WeakPolarHBondContact CG-O 3.05Å; I614-V637 HydrophobicContact CB-CG2 4.45Å; I614-V637 HydrophobicContact CD1-CB 4.39Å; I614-V637 HydrophobicContact CD1-CG2 3.71Å; I614-V637 HydrophobicContact CG2-CG2 4.03Å; V633-V637 WeakPolarHBondContact O-CG2 3.39Å; V633-V637 PolarHBondContact O-N 3.45Å; M634-V637 CarbonylContact O-C 3.58Å; M634-V637 WeakPolarHBondContact O-CA 3.42Å; M634-V637 WeakPolarHBondContact O-CB 3.42Å; M634-V637 PolarHBondContact O-N 2.98Å; R635-V637 VanDerWaalsContact C-N 3.33Å; V637-F639 HydrophobicContact CB-CD2 4.01Å; V637-F639 HydrophobicContact CB-CE2 4.49Å; V637-F639 HydrophobicContact CG1-CD2 3.56Å; V637-F639 HydrophobicContact CG1-CE2 3.56Å; V637-L669 HydrophobicContact CG1-CD1 4.17Å; V637-L669 HydrophobicContact CG1-CD2 4.41Å; V637-L669 HydrophobicContact CG2-CD1 4.2Å
638	G	90.3	Very high	91.5	Very high	5 Å²	5	31.3 Å²	31.3	5%	0.052	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.2	0.3	-178.7	0	0	0	0	0	114.2	I519 S520 M634 R635 T636	I519-G638 WeakPolarHBondContact CA-O 3.41Å; S520-G638 PolarHBondContact N-O 2.83Å; M634-G638 PolarHBondContact O-N 3.48Å; R635-G638 PolarHBondContact O-N 2.85Å; R635-G638 VanDerWaalsContact O-N 3.11Å; T636-G638 PolarHBondContact O-N 2.85Å
639	F	91.3	Very high	91.6	Very high	7 Å²	7	31 Å²	31	3%	0.031	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	119	173.7	-67.8	-85.6	0	0	0	110.7	I519 M634 R635 V637 L669 L672 S673 F676	I519-F639 HydrophobicContact CD1-CD1 4.02Å; I519-F639 HydrophobicContact CD1-CE1 3.36Å; I519-F639 HydrophobicContact CD1-CZ 4.1Å; I519-F639 HydrophobicContact CG1-CD1 3.68Å; I519-F639 HydrophobicContact CG1-CE1 3.57Å; I519-F639 HydrophobicContact CG1-CZ 4.49Å; I519-F639 HydrophobicContact CG2-CE1 4.46Å; M634-F639 CarbonylContact C-O 3.57Å; M634-F639 HydrophobicContact CB-CB 4.1Å; M634-F639 HydrophobicContact CE-CB 3.84Å; M634-F639 PolarHBondContact O-N 3.17Å; R635-F639 WeakPolarHBondContact CA-O 3.32Å; R635-F639 PolarHBondContact N-O 3.09Å; V637-F639 HydrophobicContact CB-CD2 4.01Å; V637-F639 HydrophobicContact CB-CE2 4.49Å; V637-F639 HydrophobicContact CG1-CD2 3.56Å; V637-F639 HydrophobicContact CG1-CE2 3.56Å; F639-L669 HydrophobicContact CD2-CD2 3.81Å; F639-L669 HydrophobicContact CE2-CD2 3.83Å; F639-L672 HydrophobicContact CD1-CB 4.21Å; F639-L672 HydrophobicContact CD1-CD2 4.45Å; F639-L672 HydrophobicContact CE1-CB 3.8Å; F639-L672 HydrophobicContact CZ-CB 4.39Å; F639-S673 WeakPolarHBondContact CZ-OG 3.49Å; F639-F676 HydrophobicContact CD1-CE2 4.38Å; F639-F676 HydrophobicContact CE1-CD2 4.44Å
640	H	91.6	Very high	91.7	Very high	34 Å²	34	28.3 Å²	28.3	16%	0.157	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.9	166.4	-60.3	-93.1	0	0	0	108	D516 T517 R518	D516-H640 WeakPolarHBondContact O-CB 3.35Å; T517-H640 CarbonylContact C-O 3.49Å; T517-H640 VanDerWaalsContact CA-O 3.31Å; T517-H640 WeakPolarHBondContact CA-O 3.46Å; R518-H640 HydrophobicContact CG-CB 3.88Å; R518-H640 PolarHBondContact N-O 2.96Å; R518-H640 PolarHBondContact O-N 3.43Å
641	V	92.1	Very high	91.6	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.03	18%	0.184	C	C	.	.			trans	-139.4	143.4	-175.9	-65.3	0	0	0	0	109.9	M634 I645 F646 I649 L672	M634-V641 HydrophobicContact CE-CB 4.46Å; M634-V641 HydrophobicContact CE-CG1 3.79Å; M634-V641 HydrophobicContact CE-CG2 3.76Å; M634-V641 HydrophobicContact SD-CG2 4.42Å; V641-I645 HydrophobicContact CB-CB 4.06Å; V641-I645 HydrophobicContact CB-CG2 3.84Å; V641-I645 HydrophobicContact CG1-CG2 3.92Å; V641-I645 HydrophobicContact CG2-CG2 4.47Å; V641-F646 HydrophobicContact CG2-CB 4.18Å; V641-F646 HydrophobicContact CG2-CD2 4.11Å; V641-I649 HydrophobicContact CG2-CD1 4.34Å; V641-L672 HydrophobicContact CG1-CD2 4.32Å
642	S	92	Very high	91.7	Very high	19 Å²	19	40.1 Å²	40.1	13%	0.133	21%	0.211	C	C	.	.			trans	-63.4	165.9	176.8	61.2	0	0	0	0	112.6	D514 D515 T517 R631 M644 I645 F646	D514-S642 VanDerWaalsContact OD1-CA 3.29Å; D514-S642 WeakPolarHBondContact OD1-CA 3.42Å; D514-S642 WeakPolarHBondContact OD2-CB 3.45Å; D515-S642 WeakPolarHBondContact O-CA 3.22Å; T517-S642 PolarHBondContact OG1-N 3.38Å; R631-S642 PolarHBondContact NH2-O 2.66Å; S642-M644 PolarHBondContact O-N 2.97Å; S642-I645 PolarHBondContact O-N 3.28Å; S642-I645 WeakPolarHBondContact OG-CG1 3.39Å; S642-I645 PolarHBondContact OG-N 2.82Å; S642-F646 WeakPolarHBondContact O-CB 3.27Å; S642-F646 PolarHBondContact O-N 3Å
643	N	90	Very high	92	Very high	15 Å²	15	39.4 Å²	39.4	8%	0.08	21%	0.206	C	C	.	.	H	α-helix	trans	-56.8	-39.8	171.7	-76.7	-18.5	0	0	0	111.5	E512 D514 R631 I645 F646 K647	E512-N643 PolarHBondContact OE1-ND2 2.99Å; D514-N643 VanDerWaalsContact CG-N 3.28Å; D514-N643 PolarHBondContact OD1-N 3.06Å; D514-N643 PolarHBondContact OD2-N 3.07Å; R631-N643 VanDerWaalsContact CZ-OD1 3.25Å; R631-N643 PolarHBondContact NH1-OD1 3.45Å; R631-N643 PolarHBondContact NH2-OD1 3.38Å; N643-I645 PolarHBondContact O-N 3.25Å; N643-F646 PolarHBondContact O-N 2.99Å; N643-K647 WeakPolarHBondContact O-CB 3.25Å; N643-K647 PolarHBondContact O-N 3.43Å
644	M	90.4	Very high	92.1	Very high	156 Å²	156	40.3 Å²	40.3	77%	0.768	21%	0.213	S	C	*	.	H	α-helix	trans	-59.4	-46.3	176.6	-177.1	-173.5	178.1	0	0	112.3	S642 A648	S642-M644 PolarHBondContact O-N 2.97Å; M644-A648 PolarHBondContact O-N 3.13Å
645	I	93	Very high	92.1	Very high	56 Å²	56	43 Å²	43	29%	0.287	23%	0.228	S	C	.	.	H	α-helix	trans	-72.8	-42.1	179.7	-65.6	174.6	0	0	0	110.2	T517 V641 S642 N643 K647 A648 I649	T517-I645 HydrophobicContact CG2-CD1 3.55Å; T517-I645 WeakPolarHBondContact OG1-CD1 3.42Å; V641-I645 HydrophobicContact CB-CB 4.06Å; V641-I645 HydrophobicContact CB-CG2 3.84Å; V641-I645 HydrophobicContact CG1-CG2 3.92Å; V641-I645 HydrophobicContact CG2-CG2 4.47Å; S642-I645 PolarHBondContact O-N 3.28Å; S642-I645 WeakPolarHBondContact OG-CG1 3.39Å; S642-I645 PolarHBondContact OG-N 2.82Å; N643-I645 PolarHBondContact O-N 3.25Å; I645-K647 VanDerWaalsContact C-N 3.28Å; I645-K647 PolarHBondContact O-N 3.4Å; I645-A648 WeakPolarHBondContact O-CB 3.39Å; I645-A648 PolarHBondContact O-N 3.01Å; I645-A648 VanDerWaalsContact O-N 3.07Å; I645-I649 HydrophobicContact CG2-CD1 3.89Å; I645-I649 HydrophobicContact CG2-CG1 4.37Å; I645-I649 WeakPolarHBondContact O-CG1 3.39Å; I645-I649 PolarHBondContact O-N 2.9Å
646	F	94.2	Very high	92.2	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-62	-37.4	179.3	-166.3	-100.2	0	0	0	112.2	S377 M391 L630 R631 M634 V641 S642 N643 A648 I649 A650	S377-F646 WeakPolarHBondContact OG-CD1 3.24Å; M391-F646 HydrophobicContact CE-CD1 4.15Å; M391-F646 HydrophobicContact CE-CE1 3.46Å; M391-F646 VanDerWaalsContact CE-CE1 3.46Å; M391-F646 HydrophobicContact CE-CZ 3.92Å; L630-F646 HydrophobicContact CB-CE2 4.17Å; L630-F646 HydrophobicContact CB-CZ 4.14Å; L630-F646 HydrophobicContact CD2-CE2 3.98Å; L630-F646 HydrophobicContact CD2-CZ 4.37Å; L630-F646 HydrophobicContact CG-CE2 4.22Å; R631-F646 HydrophobicContact CB-CD2 4.16Å; R631-F646 HydrophobicContact CB-CE1 4.43Å; R631-F646 HydrophobicContact CB-CE2 3.54Å; R631-F646 HydrophobicContact CB-CZ 3.7Å; R631-F646 HydrophobicContact CG-CE2 4.38Å; R631-F646 VanDerWaalsContact NH2-CB 3.29Å; M634-F646 HydrophobicContact SD-CD2 4.4Å; M634-F646 HydrophobicContact SD-CE2 4.33Å; V641-F646 HydrophobicContact CG2-CB 4.18Å; V641-F646 HydrophobicContact CG2-CD2 4.11Å; S642-F646 WeakPolarHBondContact O-CB 3.27Å; S642-F646 PolarHBondContact O-N 3Å; N643-F646 PolarHBondContact O-N 2.99Å; F646-A648 PolarHBondContact O-N 3.47Å; F646-I649 WeakPolarHBondContact O-CB 3.38Å; F646-I649 PolarHBondContact O-N 2.9Å; F646-A650 PolarHBondContact O-N 2.92Å
647	K	91.4	Very high	92.3	Very high	65 Å²	65	55.1 Å²	55.1	28%	0.283	28%	0.28	S	S	.	.	H	α-helix	trans	-54.3	-52.2	169.3	166.8	179.6	-162.2	173	0	111.7	E372 L374 N643 I645 I649 A650 C651	E372-K647 IonicContact OE1-NZ 2.84Å; E372-K647 PolarHBondContact OE1-NZ 3.17Å; E372-K647 IonicContact OE2-NZ 3.75Å; E372-K647 PolarHBondContact OE2-NZ 3.13Å; L374-K647 HydrophobicContact CD1-CB 3.97Å; L374-K647 HydrophobicContact CD1-CD 3.34Å; L374-K647 HydrophobicContact CD1-CG 3.57Å; N643-K647 WeakPolarHBondContact O-CB 3.25Å; N643-K647 PolarHBondContact O-N 3.43Å; I645-K647 VanDerWaalsContact C-N 3.28Å; I645-K647 PolarHBondContact O-N 3.4Å; K647-I649 PolarHBondContact O-N 2.94Å; K647-A650 PolarHBondContact O-N 2.79Å; K647-C651 PolarHBondContact O-N 3.1Å; K647-C651 PolarHBondContact O-SG 3.2Å; K647-C651 VanDerWaalsContact O-SG 3.38Å
648	A	93.5	Very high	92.4	Very high	59 Å²	59	54.7 Å²	54.7	49%	0.488	28%	0.277	S	S	.	.	H	α-helix	trans	-60.7	-38.3	-179.6	0	0	0	0	0	111.5	M644 I645 F646 R652	M644-A648 PolarHBondContact O-N 3.13Å; I645-A648 WeakPolarHBondContact O-CB 3.39Å; I645-A648 PolarHBondContact O-N 3.01Å; I645-A648 VanDerWaalsContact O-N 3.07Å; F646-A648 PolarHBondContact O-N 3.47Å; A648-R652 WeakPolarHBondContact O-CB 3.06Å; A648-R652 PolarHBondContact O-N 2.96Å; A648-R652 VanDerWaalsContact O-N 3.1Å
649	I	94.5	Very high	92.6	Very high	9 Å²	9	56.7 Å²	56.7	5%	0.046	29%	0.285	C	S	.	.	H	α-helix	trans	-62.7	-52.7	175	-66.8	169.9	0	0	0	110.8	L630 M634 V641 I645 F646 K647 C651 R652 Y653 L668 L672	L630-I649 HydrophobicContact CD2-CG2 3.42Å; L630-I649 VanDerWaalsContact CD2-CG2 3.42Å; M634-I649 HydrophobicContact CE-CD1 3.75Å; M634-I649 HydrophobicContact SD-CD1 4Å; V641-I649 HydrophobicContact CG2-CD1 4.34Å; I645-I649 HydrophobicContact CG2-CD1 3.89Å; I645-I649 HydrophobicContact CG2-CG1 4.37Å; I645-I649 WeakPolarHBondContact O-CG1 3.39Å; I645-I649 PolarHBondContact O-N 2.9Å; F646-I649 WeakPolarHBondContact O-CB 3.38Å; F646-I649 PolarHBondContact O-N 2.9Å; K647-I649 PolarHBondContact O-N 2.94Å; I649-C651 PolarHBondContact O-N 3.47Å; I649-R652 PolarHBondContact O-N 2.94Å; I649-R652 VanDerWaalsContact O-N 3.13Å; I649-Y653 HydrophobicContact CG2-CD2 4.13Å; I649-Y653 WeakPolarHBondContact O-CD2 3.31Å; I649-Y653 PolarHBondContact O-N 2.83Å; I649-L668 HydrophobicContact CB-CD1 4.36Å; I649-L668 HydrophobicContact CD1-CD1 4Å; I649-L668 HydrophobicContact CG1-CD1 3.77Å; I649-L668 HydrophobicContact CG2-CD1 3.77Å; I649-L668 HydrophobicContact CG2-CD2 3.53Å; I649-L668 HydrophobicContact CG2-CG 4.32Å; I649-L672 HydrophobicContact CD1-CD1 4.08Å
650	A	92.4	Very high	92.8	Very high	5 Å²	5	56.4 Å²	56.4	4%	0.041	28%	0.284	C	S	.	.	H	α-helix	trans	-59.1	-45.6	-179.4	0	0	0	0	0	111.5	F646 K647 R652 A654	F646-A650 PolarHBondContact O-N 2.92Å; K647-A650 PolarHBondContact O-N 2.79Å; A650-R652 VanDerWaalsContact C-N 3.27Å; A650-R652 PolarHBondContact O-N 2.8Å; A650-A654 WeakPolarHBondContact O-CB 3.5Å; A650-A654 PolarHBondContact O-N 3.34Å; A650-A654 VanDerWaalsContact O-N 3.08Å
651	C	92.2	Very high	93	Very high	96 Å²	96	58.6 Å²	58.6	65%	0.649	30%	0.296	S	S	*	.	H	α-helix	trans	-63.9	-29.5	177.7	-68.8	0	0	0	0	113.7	K647 I649	K647-C651 PolarHBondContact O-N 3.1Å; K647-C651 PolarHBondContact O-SG 3.2Å; K647-C651 VanDerWaalsContact O-SG 3.38Å; I649-C651 PolarHBondContact O-N 3.47Å
652	R	94.2	Very high	93.2	Very high	160 Å²	160	58.4 Å²	58.4	60%	0.604	30%	0.295	S	S	*	.	H	α-helix	trans	-91.4	-34.3	-173.4	-176.6	62.6	-175.7	90.3	-4.1	113.8	A648 I649 A650	A648-R652 WeakPolarHBondContact O-CB 3.06Å; A648-R652 PolarHBondContact O-N 2.96Å; A648-R652 VanDerWaalsContact O-N 3.1Å; I649-R652 PolarHBondContact O-N 2.94Å; I649-R652 VanDerWaalsContact O-N 3.13Å; A650-R652 VanDerWaalsContact C-N 3.27Å; A650-R652 PolarHBondContact O-N 2.8Å
653	Y	95.2	Very high	93.4	Very high	22 Å²	22	58.7 Å²	58.7	9%	0.086	30%	0.295	C	S	.	.	H	α-helix	trans	-116.9	-19.5	-168.8	-63.7	-82.2	0	0	0	114.1	I649 D664 L667 L668 R671	I649-Y653 HydrophobicContact CG2-CD2 4.13Å; I649-Y653 WeakPolarHBondContact O-CD2 3.31Å; I649-Y653 PolarHBondContact O-N 2.83Å; Y653-D664 HydrophobicContact CD1-CB 4.07Å; Y653-L667 HydrophobicContact CE1-CB 4.48Å; Y653-L667 HydrophobicContact CE1-CD2 4.16Å; Y653-L667 HydrophobicContact CE1-CG 4.09Å; Y653-L668 HydrophobicContact CD1-CB 4.18Å; Y653-L668 HydrophobicContact CD2-CB 4.3Å; Y653-L668 HydrophobicContact CD2-CD1 3.88Å; Y653-L668 HydrophobicContact CD2-CG 4.49Å; Y653-L668 HydrophobicContact CE1-CB 4.01Å; Y653-L668 HydrophobicContact CE2-CB 4.16Å; Y653-L668 HydrophobicContact CE2-CD1 3.55Å; Y653-L668 HydrophobicContact CE2-CG 4.4Å; Y653-L668 HydrophobicContact CG-CB 4.31Å; Y653-R671 VanDerWaalsContact OH-CD 3.29Å; Y653-R671 WeakPolarHBondContact OH-CD 3.39Å
654	A	94.3	Very high	93.7	Very high	19 Å²	19	60 Å²	60	16%	0.157	30%	0.302	C	S	.	.			trans	-79.7	132.2	172.6	0	0	0	0	0	109.8	N376 A627 A650 I660	N376-A654 HydrophobicContact CB-CB 4.49Å; A627-A654 HydrophobicContact CB-CB 4.01Å; A650-A654 WeakPolarHBondContact O-CB 3.5Å; A650-A654 PolarHBondContact O-N 3.34Å; A650-A654 VanDerWaalsContact O-N 3.08Å; A654-I660 HydrophobicContact CB-CG1 4.2Å
655	N	93.3	Very high	93.9	Very high	58 Å²	58	52.6 Å²	52.6	31%	0.31	27%	0.266	S	S	.	.			trans	-76.8	-179.2	175.1	71.1	19.3	0	0	0	111.8	K657 G658 Q659	N655-K657 PolarHBondContact O-N 3.1Å; N655-K657 WeakPolarHBondContact OD1-CA 3.43Å; N655-K657 WeakPolarHBondContact OD1-CB 3.43Å; N655-K657 PolarHBondContact OD1-N 2.86Å; N655-G658 PolarHBondContact O-N 3.41Å; N655-G658 PolarHBondContact OD1-N 2.83Å; N655-Q659 PolarHBondContact N-O 3.06Å; N655-Q659 PolarHBondContact OD1-N 2.86Å; N655-Q659 PolarHBondContact OD1-O 3.27Å
656	E	90.2	Very high	94.1	Very high	196 Å²	196	49.9 Å²	49.9	92%	0.916	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.3	-179.9	-62.1	179.7	175.9	0	0	114
657	K	91.6	Very high	94.2	Very high	163 Å²	163	50.4 Å²	50.4	71%	0.709	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-0.9	176.6	-59.5	-178.8	-178.6	176.5	0	113.1	N655 Q659	N655-K657 PolarHBondContact O-N 3.1Å; N655-K657 WeakPolarHBondContact OD1-CA 3.43Å; N655-K657 WeakPolarHBondContact OD1-CB 3.43Å; N655-K657 PolarHBondContact OD1-N 2.86Å; K657-Q659 VanDerWaalsContact C-N 3.33Å; K657-Q659 HydrophobicContact CB-CG 4.16Å
658	G	92.8	Very high	94.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	76.6	20.6	-174.8	0	0	0	0	0	114.1	N376 A627 N655	N376-G658 VanDerWaalsContact CG-CA 3.5Å; N376-G658 VanDerWaalsContact ND2-CA 3.29Å; N376-G658 WeakPolarHBondContact ND2-CA 2.97Å; A627-G658 WeakPolarHBondContact CB-O 3.24Å; A627-G658 PolarHBondContact N-O 2.62Å; N655-G658 PolarHBondContact O-N 3.41Å; N655-G658 PolarHBondContact OD1-N 2.83Å
659	Q	94.8	Very high	94.5	Very high	47 Å²	47	44.6 Å²	44.6	22%	0.22	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	147.1	-178.9	-58.4	177.8	-41.6	0	0	111.1	L625 N655 K657	L625-Q659 CarbonylContact O-C 3.41Å; L625-Q659 VanDerWaalsContact O-CA 3.3Å; L625-Q659 WeakPolarHBondContact O-CA 3.1Å; N655-Q659 PolarHBondContact N-O 3.06Å; N655-Q659 PolarHBondContact OD1-N 2.86Å; N655-Q659 PolarHBondContact OD1-O 3.27Å; K657-Q659 VanDerWaalsContact C-N 3.33Å; K657-Q659 HydrophobicContact CB-CG 4.16Å
660	I	95.6	Very high	94.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.4	176.5	-59.2	171.3	0	0	0	107.5	S624 L625 A627 L630 A654 D664	S624-I660 CarbonylContact C-O 3.57Å; S624-I660 VanDerWaalsContact CA-O 3.31Å; S624-I660 WeakPolarHBondContact CA-O 3.5Å; L625-I660 PolarHBondContact N-O 3.19Å; L625-I660 PolarHBondContact O-N 2.87Å; A627-I660 HydrophobicContact CB-CD1 4.34Å; L630-I660 HydrophobicContact CB-CD1 3.86Å; L630-I660 HydrophobicContact CD1-CD1 3.81Å; L630-I660 HydrophobicContact CD2-CD1 3.32Å; L630-I660 HydrophobicContact CG-CD1 3.82Å; A654-I660 HydrophobicContact CB-CG1 4.2Å; I660-D664 HydrophobicContact CG2-CB 4.04Å
661	L	95.3	Very high	94.5	Very high	80 Å²	80	45.8 Å²	45.8	42%	0.419	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	157.5	-179.8	-58.2	179.2	0	0	0	110.5	D663 D664 Y665	L661-D663 VanDerWaalsContact C-N 3.26Å; L661-D663 PolarHBondContact O-N 2.74Å; L661-D664 PolarHBondContact O-N 2.61Å; L661-D664 VanDerWaalsContact O-N 3.15Å; L661-Y665 PolarHBondContact O-N 3.3Å
662	F	95.9	Very high	94.5	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.009	20%	0.195	C	C	.	.	H	α-helix	trans	-57.6	-37.1	179.9	-176.5	-114	0	0	0	113.5	F567 F571 F573 F576 K612 F615 G623 Y665 I666	F567-F662 AromaticContact CD1-CE1 3.85Å; F567-F662 HydrophobicContact CD1-CE1 3.85Å; F567-F662 AromaticContact CD1-CZ 3.97Å; F567-F662 HydrophobicContact CD1-CZ 3.97Å; F567-F662 HydrophobicContact CE1-CZ 4.39Å; F571-F662 HydrophobicContact CE2-CB 3.74Å; F571-F662 AromaticContact CE2-CD1 3.72Å; F571-F662 HydrophobicContact CE2-CD1 3.72Å; F571-F662 HydrophobicContact CE2-CD2 4.15Å; F571-F662 HydrophobicContact CE2-CE1 4.39Å; F571-F662 AromaticContact CE2-CG 3.58Å; F571-F662 HydrophobicContact CE2-CG 3.58Å; F571-F662 HydrophobicContact CZ-CB 4.25Å; F571-F662 AromaticContact CZ-CD1 3.63Å; F571-F662 HydrophobicContact CZ-CD1 3.63Å; F571-F662 AromaticContact CZ-CD2 3.78Å; F571-F662 HydrophobicContact CZ-CD2 3.78Å; F571-F662 AromaticContact CZ-CE1 3.86Å; F571-F662 HydrophobicContact CZ-CE1 3.86Å; F571-F662 HydrophobicContact CZ-CE2 4.01Å; F571-F662 AromaticContact CZ-CG 3.59Å; F571-F662 HydrophobicContact CZ-CG 3.59Å; F571-F662 HydrophobicContact CZ-CZ 4.05Å; F573-F662 AromaticContact CD1-CD1 3.97Å; F573-F662 HydrophobicContact CD1-CD1 3.97Å; F573-F662 HydrophobicContact CD1-CE1 4.42Å; F573-F662 HydrophobicContact CD2-CB 4.19Å; F573-F662 AromaticContact CD2-CD1 3.99Å; F573-F662 HydrophobicContact CD2-CD1 3.99Å; F573-F662 AromaticContact CE1-CD1 3.8Å; F573-F662 HydrophobicContact CE1-CD1 3.8Å; F573-F662 HydrophobicContact CE1-CE1 4.06Å; F573-F662 HydrophobicContact CE2-CB 4.42Å; F573-F662 AromaticContact CE2-CD1 3.83Å; F573-F662 HydrophobicContact CE2-CD1 3.83Å; F573-F662 HydrophobicContact CG-CD1 4.07Å; F573-F662 AromaticContact CZ-CD1 3.71Å; F573-F662 HydrophobicContact CZ-CD1 3.71Å; F573-F662 HydrophobicContact CZ-CE1 4.22Å; F576-F662 HydrophobicContact CE1-CD1 4.36Å; F576-F662 AromaticContact CE1-CE1 3.98Å; F576-F662 HydrophobicContact CE1-CE1 3.98Å; F576-F662 HydrophobicContact CZ-CD1 4.4Å; F576-F662 AromaticContact CZ-CE1 3.66Å; F576-F662 HydrophobicContact CZ-CE1 3.66Å; F576-F662 HydrophobicContact CZ-CZ 4.41Å; K612-F662 HydrophobicContact CB-CE2 4.31Å; K612-F662 HydrophobicContact CB-CZ 3.99Å; K612-F662 HydrophobicContact CG-CE2 4.24Å; K612-F662 HydrophobicContact CG-CZ 3.88Å; F615-F662 HydrophobicContact CB-CD2 4.15Å; F615-F662 HydrophobicContact CB-CE2 4Å; F615-F662 AromaticContact CD1-CD2 3.63Å; F615-F662 HydrophobicContact CD1-CD2 3.63Å; F615-F662 HydrophobicContact CD1-CE2 4.14Å; F615-F662 AromaticContact CD2-CD2 3.6Å; F615-F662 HydrophobicContact CD2-CD2 3.6Å; F615-F662 HydrophobicContact CD2-CE2 4.25Å; F615-F662 HydrophobicContact CE1-CB 4.15Å; F615-F662 AromaticContact CE1-CD2 3.82Å; F615-F662 HydrophobicContact CE1-CD2 3.82Å; F615-F662 HydrophobicContact CE1-CG 4.32Å; F615-F662 HydrophobicContact CE2-CB 4.07Å; F615-F662 AromaticContact CE2-CD2 3.75Å; F615-F662 HydrophobicContact CE2-CD2 3.75Å; F615-F662 HydrophobicContact CE2-CG 4.42Å; F615-F662 AromaticContact CG-CD2 3.52Å; F615-F662 HydrophobicContact CG-CD2 3.52Å; F615-F662 AromaticContact CG-CE2 3.89Å; F615-F662 HydrophobicContact CG-CE2 3.89Å; F615-F662 HydrophobicContact CZ-CB 3.75Å; F615-F662 AromaticContact CZ-CD2 3.88Å; F615-F662 HydrophobicContact CZ-CD2 3.88Å; F615-F662 HydrophobicContact CZ-CG 4.27Å; G623-F662 PolarHBondContact O-N 3.06Å; F662-Y665 HydrophobicContact CD2-CD1 4.05Å; F662-Y665 HydrophobicContact CE2-CD1 4.07Å; F662-Y665 HydrophobicContact CE2-CE1 4.34Å; F662-Y665 PolarHBondContact O-N 3.49Å; F662-I666 HydrophobicContact CD2-CG1 4.35Å; F662-I666 HydrophobicContact CE1-CG1 4.11Å; F662-I666 HydrophobicContact CE2-CD1 4Å; F662-I666 HydrophobicContact CE2-CG1 3.85Å; F662-I666 HydrophobicContact CZ-CD1 3.95Å; F662-I666 HydrophobicContact CZ-CG1 3.72Å; F662-I666 WeakPolarHBondContact O-CG1 3.47Å; F662-I666 PolarHBondContact O-N 2.84Å
663	D	96.2	Very high	94.3	Very high	24 Å²	24	35.2 Å²	35.2	13%	0.128	17%	0.171	C	C	.	.	H	α-helix	trans	-60.6	-50.8	174.7	-168.7	30.4	0	0	0	111.4	F573 F576 S577 T580 L661 Y665 I666 L667	F573-D663 HydrophobicContact CE2-CB 4.11Å; F576-D663 WeakPolarHBondContact CA-OD1 3.32Å; F576-D663 WeakPolarHBondContact CD1-OD1 3.33Å; S577-D663 WeakPolarHBondContact CB-OD2 3.42Å; S577-D663 PolarHBondContact N-OD1 3Å; S577-D663 PolarHBondContact N-OD2 3.4Å; S577-D663 PolarHBondContact OG-OD2 2.75Å; T580-D663 WeakPolarHBondContact CB-OD1 3.38Å; T580-D663 VanDerWaalsContact CG2-OD1 3.32Å; T580-D663 WeakPolarHBondContact CG2-OD1 3.22Å; T580-D663 VanDerWaalsContact OG1-CG 3.27Å; T580-D663 PolarHBondContact OG1-OD1 3.14Å; T580-D663 PolarHBondContact OG1-OD2 3.43Å; L661-D663 VanDerWaalsContact C-N 3.26Å; L661-D663 PolarHBondContact O-N 2.74Å; D663-Y665 VanDerWaalsContact C-N 3.32Å; D663-Y665 PolarHBondContact O-N 3.48Å; D663-I666 PolarHBondContact O-N 3.22Å; D663-L667 WeakPolarHBondContact O-CB 3.05Å; D663-L667 PolarHBondContact O-N 3.09Å
664	D	96.2	Very high	94.1	Very high	43 Å²	43	34.8 Å²	34.8	23%	0.23	17%	0.171	C	C	.	.	H	α-helix	trans	-62.5	-38	179.4	-69.5	-52.6	0	0	0	112.3	Y653 I660 L661 L668	Y653-D664 HydrophobicContact CD1-CB 4.07Å; I660-D664 HydrophobicContact CG2-CB 4.04Å; L661-D664 PolarHBondContact O-N 2.61Å; L661-D664 VanDerWaalsContact O-N 3.15Å; D664-L668 WeakPolarHBondContact O-CB 3.35Å; D664-L668 PolarHBondContact O-N 3.04Å
665	Y	96.2	Very high	93.9	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.2	-47.3	174.1	164.2	-104.7	0	0	0	111.8	W611 F615 L625 L630 V633 L661 F662 D663 L668 L669	W611-Y665 HydrophobicContact CB-CE1 4.09Å; W611-Y665 WeakPolarHBondContact O-CE1 3.01Å; W611-Y665 PolarHBondContact O-OH 3.03Å; F615-Y665 HydrophobicContact CB-CD1 4.26Å; F615-Y665 HydrophobicContact CB-CE1 3.81Å; F615-Y665 AromaticContact CD2-CD1 3.59Å; F615-Y665 HydrophobicContact CD2-CD1 3.59Å; F615-Y665 HydrophobicContact CD2-CD2 4.47Å; F615-Y665 AromaticContact CD2-CE1 3.97Å; F615-Y665 HydrophobicContact CD2-CE1 3.97Å; F615-Y665 AromaticContact CD2-CG 3.85Å; F615-Y665 HydrophobicContact CD2-CG 3.85Å; F615-Y665 HydrophobicContact CE2-CD1 4.34Å; F615-Y665 HydrophobicContact CE2-CG 4.34Å; F615-Y665 HydrophobicContact CG-CD1 4.29Å; F615-Y665 HydrophobicContact CG-CE1 4.34Å; L625-Y665 HydrophobicContact CD1-CD2 4.04Å; L625-Y665 HydrophobicContact CD1-CE2 4.42Å; L625-Y665 HydrophobicContact CD1-CG 4.41Å; L630-Y665 HydrophobicContact CD1-CD2 4.22Å; V633-Y665 HydrophobicContact CG1-CD2 4.47Å; V633-Y665 HydrophobicContact CG1-CE2 3.56Å; L661-Y665 PolarHBondContact O-N 3.3Å; F662-Y665 HydrophobicContact CD2-CD1 4.05Å; F662-Y665 HydrophobicContact CE2-CD1 4.07Å; F662-Y665 HydrophobicContact CE2-CE1 4.34Å; F662-Y665 PolarHBondContact O-N 3.49Å; D663-Y665 VanDerWaalsContact C-N 3.32Å; D663-Y665 PolarHBondContact O-N 3.48Å; Y665-L668 WeakPolarHBondContact O-CB 3.23Å; Y665-L668 PolarHBondContact O-N 2.85Å; Y665-L669 HydrophobicContact CD2-CD1 4.31Å; Y665-L669 HydrophobicContact CD2-CG 4.41Å; Y665-L669 HydrophobicContact CE1-CD1 3.91Å; Y665-L669 HydrophobicContact CE2-CD1 3.58Å; Y665-L669 HydrophobicContact CE2-CD2 4.44Å; Y665-L669 HydrophobicContact CE2-CG 4.04Å; Y665-L669 WeakPolarHBondContact O-CG 3.12Å; Y665-L669 PolarHBondContact O-N 3.25Å; Y665-L669 VanDerWaalsContact O-N 3.13Å; Y665-L669 WeakPolarHBondContact OH-CD1 3.1Å
666	I	96	Very high	93.7	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-67.7	-44.7	178.6	-67.5	-63.7	0	0	0	110.4	F576 T580 M584 L608 W611 F662 D663 L668 L669 I670	F576-I666 HydrophobicContact CD1-CG2 4.49Å; F576-I666 HydrophobicContact CE1-CB 3.88Å; F576-I666 HydrophobicContact CE1-CG1 3.85Å; F576-I666 HydrophobicContact CE1-CG2 3.83Å; F576-I666 HydrophobicContact CZ-CG1 4.39Å; T580-I666 HydrophobicContact CG2-CG2 4.04Å; M584-I666 HydrophobicContact CE-CG2 3.43Å; M584-I666 VanDerWaalsContact CE-CG2 3.43Å; L608-I666 HydrophobicContact CD2-CD1 4.13Å; L608-I666 HydrophobicContact CD2-CG2 3.56Å; W611-I666 HydrophobicContact CB-CD1 3.81Å; W611-I666 HydrophobicContact CE3-CD1 3.98Å; F662-I666 HydrophobicContact CD2-CG1 4.35Å; F662-I666 HydrophobicContact CE1-CG1 4.11Å; F662-I666 HydrophobicContact CE2-CD1 4Å; F662-I666 HydrophobicContact CE2-CG1 3.85Å; F662-I666 HydrophobicContact CZ-CD1 3.95Å; F662-I666 HydrophobicContact CZ-CG1 3.72Å; F662-I666 WeakPolarHBondContact O-CG1 3.47Å; F662-I666 PolarHBondContact O-N 2.84Å; D663-I666 PolarHBondContact O-N 3.22Å; I666-L668 VanDerWaalsContact C-N 3.29Å; I666-L668 PolarHBondContact O-N 2.97Å; I666-L669 PolarHBondContact O-N 2.93Å; I666-I670 HydrophobicContact CG2-CD1 3.64Å; I666-I670 HydrophobicContact CG2-CG1 4.29Å; I666-I670 WeakPolarHBondContact O-CB 3.31Å; I666-I670 VanDerWaalsContact O-CG1 3.24Å; I666-I670 WeakPolarHBondContact O-CG1 3.19Å; I666-I670 PolarHBondContact O-N 2.65Å
667	L	96.2	Very high	93.5	Very high	10 Å²	10	30.9 Å²	30.9	5%	0.052	15%	0.152	C	C	.	.	H	α-helix	trans	-56.2	-43.9	175.8	177.1	59.1	0	0	0	111.8	E579 T580 S583 Y653 D663 I670 R671	E579-L667 HydrophobicContact CG-CD1 4.47Å; E579-L667 HydrophobicContact CG-CD2 4.34Å; T580-L667 HydrophobicContact CG2-CB 4.21Å; S583-L667 VanDerWaalsContact OG-CD1 3.24Å; S583-L667 WeakPolarHBondContact OG-CD1 3.44Å; Y653-L667 HydrophobicContact CE1-CB 4.48Å; Y653-L667 HydrophobicContact CE1-CD2 4.16Å; Y653-L667 HydrophobicContact CE1-CG 4.09Å; D663-L667 WeakPolarHBondContact O-CB 3.05Å; D663-L667 PolarHBondContact O-N 3.09Å; L667-I670 PolarHBondContact O-N 3.03Å; L667-R671 HydrophobicContact CD1-CG 4.19Å; L667-R671 WeakPolarHBondContact O-CB 3.43Å; L667-R671 WeakPolarHBondContact O-CG 3.36Å; L667-R671 PolarHBondContact O-N 3.28Å
668	L	95.9	Very high	93.2	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.016	13%	0.128	C	C	.	.	H	α-helix	trans	-57.9	-52	175.8	167	64.7	0	0	0	111.8	L630 M634 I649 Y653 D664 Y665 I666 I670 R671 L672	L630-L668 HydrophobicContact CD1-CD2 4.14Å; L630-L668 HydrophobicContact CD2-CD2 3.87Å; L630-L668 HydrophobicContact CG-CD2 4.47Å; M634-L668 HydrophobicContact SD-CD2 4.4Å; I649-L668 HydrophobicContact CB-CD1 4.36Å; I649-L668 HydrophobicContact CD1-CD1 4Å; I649-L668 HydrophobicContact CG1-CD1 3.77Å; I649-L668 HydrophobicContact CG2-CD1 3.77Å; I649-L668 HydrophobicContact CG2-CD2 3.53Å; I649-L668 HydrophobicContact CG2-CG 4.32Å; Y653-L668 HydrophobicContact CD1-CB 4.18Å; Y653-L668 HydrophobicContact CD2-CB 4.3Å; Y653-L668 HydrophobicContact CD2-CD1 3.88Å; Y653-L668 HydrophobicContact CD2-CG 4.49Å; Y653-L668 HydrophobicContact CE1-CB 4.01Å; Y653-L668 HydrophobicContact CE2-CB 4.16Å; Y653-L668 HydrophobicContact CE2-CD1 3.55Å; Y653-L668 HydrophobicContact CE2-CG 4.4Å; Y653-L668 HydrophobicContact CG-CB 4.31Å; D664-L668 WeakPolarHBondContact O-CB 3.35Å; D664-L668 PolarHBondContact O-N 3.04Å; Y665-L668 WeakPolarHBondContact O-CB 3.23Å; Y665-L668 PolarHBondContact O-N 2.85Å; I666-L668 VanDerWaalsContact C-N 3.29Å; I666-L668 PolarHBondContact O-N 2.97Å; L668-I670 VanDerWaalsContact C-N 3.31Å; L668-I670 PolarHBondContact O-N 3.29Å; L668-R671 PolarHBondContact O-N 3.06Å; L668-L672 HydrophobicContact CD1-CD1 3.48Å; L668-L672 VanDerWaalsContact CD1-CD1 3.48Å; L668-L672 HydrophobicContact CD1-CG 4.25Å; L668-L672 HydrophobicContact CG-CD1 3.89Å; L668-L672 WeakPolarHBondContact O-CB 3.5Å; L668-L672 PolarHBondContact O-N 3.1Å
669	L	94.9	Very high	92.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.9	-37.5	-177.2	-67.2	-174.4	0	0	0	112.2	W611 V637 F639 Y665 I666 S673	W611-L669 HydrophobicContact CB-CD1 3.98Å; W611-L669 HydrophobicContact CD2-CB 4.13Å; W611-L669 HydrophobicContact CD2-CD1 3.56Å; W611-L669 HydrophobicContact CE3-CB 3.95Å; W611-L669 HydrophobicContact CE3-CD1 4Å; W611-L669 HydrophobicContact CG-CD1 3.55Å; W611-L669 HydrophobicContact CH2-CB 4.03Å; W611-L669 HydrophobicContact CZ2-CB 4.17Å; W611-L669 HydrophobicContact CZ3-CB 3.92Å; V637-L669 HydrophobicContact CG1-CD1 4.17Å; V637-L669 HydrophobicContact CG1-CD2 4.41Å; V637-L669 HydrophobicContact CG2-CD1 4.2Å; F639-L669 HydrophobicContact CD2-CD2 3.81Å; F639-L669 HydrophobicContact CE2-CD2 3.83Å; Y665-L669 HydrophobicContact CD2-CD1 4.31Å; Y665-L669 HydrophobicContact CD2-CG 4.41Å; Y665-L669 HydrophobicContact CE1-CD1 3.91Å; Y665-L669 HydrophobicContact CE2-CD1 3.58Å; Y665-L669 HydrophobicContact CE2-CD2 4.44Å; Y665-L669 HydrophobicContact CE2-CG 4.04Å; Y665-L669 WeakPolarHBondContact O-CG 3.12Å; Y665-L669 PolarHBondContact O-N 3.25Å; Y665-L669 VanDerWaalsContact O-N 3.13Å; Y665-L669 WeakPolarHBondContact OH-CD1 3.1Å; I666-L669 PolarHBondContact O-N 2.93Å; L669-S673 WeakPolarHBondContact O-CB 3.23Å; L669-S673 PolarHBondContact O-N 3.28Å; L669-S673 PolarHBondContact O-OG 2.85Å
670	I	94.3	Very high	92.4	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-63.1	-53.8	175.7	-70.1	174.3	0	0	0	110	S583 M584 L587 W611 I666 L667 L668 L672 S673 T674	S583-I670 VanDerWaalsContact C-CG2 3.44Å; S583-I670 VanDerWaalsContact O-CG2 3.23Å; S583-I670 WeakPolarHBondContact O-CG2 3.25Å; M584-I670 HydrophobicContact CB-CD1 4.12Å; M584-I670 HydrophobicContact CE-CD1 3.86Å; M584-I670 HydrophobicContact CG-CD1 3.11Å; M584-I670 HydrophobicContact CG-CG1 4.47Å; M584-I670 HydrophobicContact SD-CD1 4.36Å; L587-I670 HydrophobicContact CB-CG2 4.02Å; L587-I670 HydrophobicContact CD2-CB 4.46Å; L587-I670 HydrophobicContact CD2-CG1 4.37Å; L587-I670 HydrophobicContact CD2-CG2 4.07Å; W611-I670 HydrophobicContact CH2-CG1 4.14Å; W611-I670 HydrophobicContact CZ3-CD1 4.49Å; W611-I670 HydrophobicContact CZ3-CG1 3.6Å; I666-I670 HydrophobicContact CG2-CD1 3.64Å; I666-I670 HydrophobicContact CG2-CG1 4.29Å; I666-I670 WeakPolarHBondContact O-CB 3.31Å; I666-I670 VanDerWaalsContact O-CG1 3.24Å; I666-I670 WeakPolarHBondContact O-CG1 3.19Å; I666-I670 PolarHBondContact O-N 2.65Å; L667-I670 PolarHBondContact O-N 3.03Å; L668-I670 VanDerWaalsContact C-N 3.31Å; L668-I670 PolarHBondContact O-N 3.29Å; I670-L672 VanDerWaalsContact C-N 3.32Å; I670-L672 PolarHBondContact O-N 2.98Å; I670-S673 WeakPolarHBondContact O-CA 3.31Å; I670-S673 WeakPolarHBondContact O-CB 3.31Å; I670-S673 PolarHBondContact O-N 2.85Å; I670-T674 PolarHBondContact O-N 3.35Å; I670-T674 PolarHBondContact O-OG1 3.24Å
671	R	93.4	Very high	91.9	Very high	38 Å²	38	35 Å²	35	14%	0.143	19%	0.188	C	C	.	.	H	α-helix	trans	-59.6	-42.9	180	-80.5	-176.3	155.6	147.5	5.4	112.5	E579 Y653 L667 L668 S673 T674 V675 I704	E579-R671 IonicContact OE1-CZ 3.87Å; E579-R671 IonicContact OE1-NH2 3.03Å; E579-R671 PolarHBondContact OE1-NH2 3.05Å; Y653-R671 VanDerWaalsContact OH-CD 3.29Å; Y653-R671 WeakPolarHBondContact OH-CD 3.39Å; L667-R671 HydrophobicContact CD1-CG 4.19Å; L667-R671 WeakPolarHBondContact O-CB 3.43Å; L667-R671 WeakPolarHBondContact O-CG 3.36Å; L667-R671 PolarHBondContact O-N 3.28Å; L668-R671 PolarHBondContact O-N 3.06Å; R671-S673 VanDerWaalsContact C-N 3.32Å; R671-S673 PolarHBondContact O-N 3.42Å; R671-T674 PolarHBondContact O-N 2.9Å; R671-V675 WeakPolarHBondContact O-CB 3.47Å; R671-V675 WeakPolarHBondContact O-CG2 3.5Å; R671-V675 PolarHBondContact O-N 2.82Å; R671-I704 PolarHBondContact NE-O 3.42Å
672	L	92.1	Very high	91.5	Very high	20 Å²	20	33.1 Å²	33.1	11%	0.105	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-47	173.6	-93.7	156.2	0	0	0	111.1	M634 F639 V641 I649 L668 I670 T674 V675 F676	M634-L672 HydrophobicContact CE-CD1 3.58Å; F639-L672 HydrophobicContact CD1-CB 4.21Å; F639-L672 HydrophobicContact CD1-CD2 4.45Å; F639-L672 HydrophobicContact CE1-CB 3.8Å; F639-L672 HydrophobicContact CZ-CB 4.39Å; V641-L672 HydrophobicContact CG1-CD2 4.32Å; I649-L672 HydrophobicContact CD1-CD1 4.08Å; L668-L672 HydrophobicContact CD1-CD1 3.48Å; L668-L672 VanDerWaalsContact CD1-CD1 3.48Å; L668-L672 HydrophobicContact CD1-CG 4.25Å; L668-L672 HydrophobicContact CG-CD1 3.89Å; L668-L672 WeakPolarHBondContact O-CB 3.5Å; L668-L672 PolarHBondContact O-N 3.1Å; I670-L672 VanDerWaalsContact C-N 3.32Å; I670-L672 PolarHBondContact O-N 2.98Å; L672-T674 PolarHBondContact O-N 2.85Å; L672-V675 PolarHBondContact O-N 3.14Å; L672-F676 HydrophobicContact CD2-CD2 4.25Å; L672-F676 HydrophobicContact CD2-CE2 3.96Å; L672-F676 WeakPolarHBondContact O-CB 3.33Å; L672-F676 VanDerWaalsContact O-CD2 3.31Å; L672-F676 WeakPolarHBondContact O-CD2 3.4Å; L672-F676 PolarHBondContact O-N 3.15Å
673	S	91.1	Very high	91	Very high	14 Å²	14	40.8 Å²	40.8	10%	0.098	21%	0.213	C	C	.	.	H	α-helix	trans	-59.1	-48.4	177.1	-55.9	0	0	0	0	111.1	F639 L669 I670 R671 V675 F676 E677	F639-S673 WeakPolarHBondContact CZ-OG 3.49Å; L669-S673 WeakPolarHBondContact O-CB 3.23Å; L669-S673 PolarHBondContact O-N 3.28Å; L669-S673 PolarHBondContact O-OG 2.85Å; I670-S673 WeakPolarHBondContact O-CA 3.31Å; I670-S673 WeakPolarHBondContact O-CB 3.31Å; I670-S673 PolarHBondContact O-N 2.85Å; R671-S673 VanDerWaalsContact C-N 3.32Å; R671-S673 PolarHBondContact O-N 3.42Å; S673-V675 PolarHBondContact O-N 2.9Å; S673-F676 PolarHBondContact O-N 3.21Å; S673-E677 WeakPolarHBondContact O-CG 3.47Å; S673-E677 PolarHBondContact O-N 3.13Å
674	T	89.9	Confident	90.5	Very high	13 Å²	13	46.5 Å²	46.5	8%	0.08	23%	0.232	C	C	.	.	H	α-helix	trans	-60.1	-46.4	179.3	-49.2	0	0	0	0	111.3	L587 I670 R671 L672 F676 E677 T678 I704	L587-T674 WeakPolarHBondContact CD1-OG1 3.45Å; I670-T674 PolarHBondContact O-N 3.35Å; I670-T674 PolarHBondContact O-OG1 3.24Å; R671-T674 PolarHBondContact O-N 2.9Å; L672-T674 PolarHBondContact O-N 2.85Å; T674-F676 PolarHBondContact O-N 2.79Å; T674-E677 PolarHBondContact O-N 3.38Å; T674-T678 VanDerWaalsContact O-CB 3.25Å; T674-T678 WeakPolarHBondContact O-CB 3.36Å; T674-T678 PolarHBondContact O-N 2.86Å; T674-T678 PolarHBondContact O-OG1 2.96Å; T674-I704 HydrophobicContact CG2-CG1 3.86Å
675	V	90.8	Very high	90.2	Very high	65 Å²	65	46.8 Å²	46.8	39%	0.394	24%	0.236	S	C	.	.	H	α-helix	trans	-60.8	-45.8	178.1	171.2	0	0	0	0	111	R671 L672 S673 F679 I704	R671-V675 WeakPolarHBondContact O-CB 3.47Å; R671-V675 WeakPolarHBondContact O-CG2 3.5Å; R671-V675 PolarHBondContact O-N 2.82Å; L672-V675 PolarHBondContact O-N 3.14Å; S673-V675 PolarHBondContact O-N 2.9Å; V675-F679 VanDerWaalsContact O-CB 3.28Å; V675-F679 WeakPolarHBondContact O-CB 3.41Å; V675-F679 PolarHBondContact O-N 2.89Å; V675-I704 HydrophobicContact CG2-CB 4.47Å; V675-I704 HydrophobicContact CG2-CD1 3.89Å; V675-I704 HydrophobicContact CG2-CG1 4.15Å; V675-I704 HydrophobicContact CG2-CG2 3.49Å; V675-I704 VanDerWaalsContact CG2-CG2 3.49Å
676	F	88.1	Confident	89.6	Confident	29 Å²	29	59.4 Å²	59.4	13%	0.127	28%	0.283	C	S	.	.	H	α-helix	trans	-66.6	-44	-179.4	-95.7	-79.1	0	0	0	112.5	T517 I519 F639 L672 S673 T674 F679 K680	T517-F676 HydrophobicContact CG2-CE1 4.16Å; T517-F676 HydrophobicContact CG2-CE2 4.31Å; T517-F676 HydrophobicContact CG2-CZ 3.48Å; T517-F676 VanDerWaalsContact CG2-CZ 3.48Å; I519-F676 HydrophobicContact CD1-CB 3.37Å; I519-F676 HydrophobicContact CD1-CD1 4.01Å; I519-F676 HydrophobicContact CD1-CD2 3.44Å; I519-F676 VanDerWaalsContact CD1-CD2 3.44Å; I519-F676 HydrophobicContact CD1-CE2 4.11Å; I519-F676 HydrophobicContact CD1-CG 3.35Å; I519-F676 HydrophobicContact CG1-CB 4.23Å; I519-F676 HydrophobicContact CG1-CD1 3.91Å; I519-F676 HydrophobicContact CG1-CD2 3.6Å; I519-F676 HydrophobicContact CG1-CE1 4.04Å; I519-F676 HydrophobicContact CG1-CE2 3.74Å; I519-F676 HydrophobicContact CG1-CG 3.66Å; I519-F676 HydrophobicContact CG1-CZ 3.92Å; F639-F676 HydrophobicContact CD1-CE2 4.38Å; F639-F676 HydrophobicContact CE1-CD2 4.44Å; L672-F676 HydrophobicContact CD2-CD2 4.25Å; L672-F676 HydrophobicContact CD2-CE2 3.96Å; L672-F676 WeakPolarHBondContact O-CB 3.33Å; L672-F676 VanDerWaalsContact O-CD2 3.31Å; L672-F676 WeakPolarHBondContact O-CD2 3.4Å; L672-F676 PolarHBondContact O-N 3.15Å; S673-F676 PolarHBondContact O-N 3.21Å; T674-F676 PolarHBondContact O-N 2.79Å; F676-F679 PolarHBondContact O-N 2.91Å; F676-K680 WeakPolarHBondContact O-CB 3.23Å; F676-K680 VanDerWaalsContact O-CG 3.29Å; F676-K680 WeakPolarHBondContact O-CG 3.25Å; F676-K680 PolarHBondContact O-N 2.88Å
677	E	85.3	Confident	89.2	Confident	98 Å²	98	64.1 Å²	64.1	46%	0.458	31%	0.309	S	S	.	.	H	α-helix	trans	-66.8	-41	178.3	-68	-54.3	124.4	0	0	110.9	S673 T674 F679 K680 A681	S673-E677 WeakPolarHBondContact O-CG 3.47Å; S673-E677 PolarHBondContact O-N 3.13Å; T674-E677 PolarHBondContact O-N 3.38Å; E677-F679 PolarHBondContact O-N 3.34Å; E677-K680 PolarHBondContact O-N 3.15Å; E677-K680 IonicContact OE1-NZ 3.67Å; E677-K680 PolarHBondContact OE1-NZ 2.81Å; E677-A681 WeakPolarHBondContact O-CB 3.5Å; E677-A681 PolarHBondContact O-N 2.86Å
678	T	86.8	Confident	88.5	Confident	33 Å²	33	65.1 Å²	65.1	20%	0.202	32%	0.322	C	S	.	.	H	α-helix	trans	-59	-46.6	172.6	-56.5	0	0	0	0	111	T674 K680 A681 Q682 F692	T674-T678 VanDerWaalsContact O-CB 3.25Å; T674-T678 WeakPolarHBondContact O-CB 3.36Å; T674-T678 PolarHBondContact O-N 2.86Å; T674-T678 PolarHBondContact O-OG1 2.96Å; T678-K680 VanDerWaalsContact C-N 3.34Å; T678-K680 PolarHBondContact O-N 3.27Å; T678-A681 PolarHBondContact O-N 2.91Å; T678-Q682 WeakPolarHBondContact O-CG 3.24Å; T678-Q682 PolarHBondContact O-N 3.03Å; T678-F692 HydrophobicContact CG2-CE1 4.38Å
679	F	86	Confident	88.2	Confident	84 Å²	84	72.8 Å²	72.8	37%	0.368	35%	0.351	S	S	.	.	H	α-helix	trans	-65.4	-34.6	178.2	-176.5	-94.1	0	0	0	113	V675 F676 E677 A690	V675-F679 VanDerWaalsContact O-CB 3.28Å; V675-F679 WeakPolarHBondContact O-CB 3.41Å; V675-F679 PolarHBondContact O-N 2.89Å; F676-F679 PolarHBondContact O-N 2.91Å; E677-F679 PolarHBondContact O-N 3.34Å; F679-A690 HydrophobicContact CD2-CB 3.75Å; F679-A690 HydrophobicContact CE2-CB 3.44Å; F679-A690 VanDerWaalsContact CE2-CB 3.44Å; F679-A690 HydrophobicContact CZ-CB 4.03Å
680	K	84.4	Confident	87.8	Confident	95 Å²	95	73.9 Å²	73.9	41%	0.413	36%	0.359	S	S	.	.	H	α-helix	trans	-71.3	-34.4	175.8	-76.1	175.7	-167.8	164.6	0	112.7	F676 E677 T678 Q682	F676-K680 WeakPolarHBondContact O-CB 3.23Å; F676-K680 VanDerWaalsContact O-CG 3.29Å; F676-K680 WeakPolarHBondContact O-CG 3.25Å; F676-K680 PolarHBondContact O-N 2.88Å; E677-K680 PolarHBondContact O-N 3.15Å; E677-K680 IonicContact OE1-NZ 3.67Å; E677-K680 PolarHBondContact OE1-NZ 2.81Å; T678-K680 VanDerWaalsContact C-N 3.34Å; T678-K680 PolarHBondContact O-N 3.27Å; K680-Q682 VanDerWaalsContact C-N 3.28Å; K680-Q682 PolarHBondContact O-N 3.23Å
681	A	85.1	Confident	87.6	Confident	85 Å²	85	77.2 Å²	77.2	70%	0.702	38%	0.379	S	S	*	.	H	α-helix	trans	-71.6	-21.1	-178.2	0	0	0	0	0	113.3	E677 T678	E677-A681 WeakPolarHBondContact O-CB 3.5Å; E677-A681 PolarHBondContact O-N 2.86Å; T678-A681 PolarHBondContact O-N 2.91Å
682	Q	87.5	Confident	87.3	Confident	40 Å²	40	78.5 Å²	78.5	19%	0.187	39%	0.386	C	S	.	.	S	Bend	trans	-78.4	151.1	-178.1	-68.4	-61.4	-11.5	0	0	114.1	T678 K680 A690 F692	T678-Q682 WeakPolarHBondContact O-CG 3.24Å; T678-Q682 PolarHBondContact O-N 3.03Å; K680-Q682 VanDerWaalsContact C-N 3.28Å; K680-Q682 PolarHBondContact O-N 3.23Å; Q682-A690 HydrophobicContact CB-CB 4.02Å; Q682-F692 HydrophobicContact CB-CZ 4.46Å; Q682-F692 HydrophobicContact CG-CD1 3.95Å; Q682-F692 HydrophobicContact CG-CE1 3.43Å; Q682-F692 VanDerWaalsContact CG-CE1 3.43Å; Q682-F692 HydrophobicContact CG-CE2 4.15Å; Q682-F692 HydrophobicContact CG-CZ 3.55Å
683	E	84.6	Confident	87.3	Confident	163 Å²	163	84.2 Å²	84.2	76%	0.762	41%	0.412	S	S	*	.			trans	-60.9	139	173.4	-70.2	-168.1	165.1	0	0	111.4	A690 V691	E683-A690 WeakPolarHBondContact O-CA 3.47Å; E683-V691 PolarHBondContact O-N 3.37Å
684	R	86.6	Confident	87.3	Confident	143 Å²	143	86.7 Å²	86.7	54%	0.54	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-109.4	134.9	-177.9	-64.2	-171.7	-179.3	-160.2	-2.8	111.7	R689	R684-R689 WeakPolarHBondContact CA-O 3.23Å
685	T	88.4	Confident	87.4	Confident	50 Å²	50	92.4 Å²	92.4	31%	0.307	46%	0.464	S	S	.	.			trans	-64.7	164.8	161.4	53.8	0	0	0	0	111.2	D687 G688 R689 V691	T685-D687 VanDerWaalsContact CB-OD1 3.25Å; T685-D687 WeakPolarHBondContact CB-OD1 3.47Å; T685-D687 PolarHBondContact O-N 3.01Å; T685-D687 PolarHBondContact OG1-OD1 3.28Å; T685-G688 PolarHBondContact O-N 2.95Å; T685-R689 PolarHBondContact N-O 3.14Å; T685-R689 WeakPolarHBondContact OG1-CA 3.44Å; T685-R689 WeakPolarHBondContact OG1-CB 3.31Å; T685-R689 PolarHBondContact OG1-N 2.79Å; T685-R689 PolarHBondContact OG1-O 2.73Å; T685-V691 HydrophobicContact CG2-CG2 3.53Å
686	R	84.3	Confident	87.2	Confident	264 Å²	264	92 Å²	92	100%	0.996	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-27.4	-179.5	-73.4	-174.2	178.9	-177.9	0.4	113.8	G688	R686-G688 VanDerWaalsContact C-N 3.33Å
687	D	87.6	Confident	87.4	Confident	99 Å²	99	96 Å²	96	53%	0.529	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	9.2	176.9	60.9	-34.7	0	0	0	113.1	T685 R689	T685-D687 VanDerWaalsContact CB-OD1 3.25Å; T685-D687 WeakPolarHBondContact CB-OD1 3.47Å; T685-D687 PolarHBondContact O-N 3.01Å; T685-D687 PolarHBondContact OG1-OD1 3.28Å; D687-R689 IonicContact OD1-NE 3.98Å; D687-R689 IonicContact OD1-NH2 2.64Å; D687-R689 IonicContact OD2-CZ 3.45Å; D687-R689 IonicContact OD2-NE 3.76Å; D687-R689 PolarHBondContact OD2-NE 3.06Å; D687-R689 IonicContact OD2-NH2 3.61Å; D687-R689 PolarHBondContact OD2-NH2 2.91Å
688	G	82.7	Confident	87.7	Confident	32 Å²	32	95.8 Å²	95.8	33%	0.33	48%	0.478	S	S	.	.	S	Bend	trans	87.2	4.5	169.9	0	0	0	0	0	115.6	T685 R686	T685-G688 PolarHBondContact O-N 2.95Å; R686-G688 VanDerWaalsContact C-N 3.33Å
689	R	87.6	Confident	87.7	Confident	164 Å²	164	99.9 Å²	99.9	62%	0.619	49%	0.49	S	S	*	.			trans	-74.4	134.7	172.3	-62	179	-78.2	-175.3	-9	110.3	R684 T685 D687	R684-R689 WeakPolarHBondContact CA-O 3.23Å; T685-R689 PolarHBondContact N-O 3.14Å; T685-R689 WeakPolarHBondContact OG1-CA 3.44Å; T685-R689 WeakPolarHBondContact OG1-CB 3.31Å; T685-R689 PolarHBondContact OG1-N 2.79Å; T685-R689 PolarHBondContact OG1-O 2.73Å; D687-R689 IonicContact OD1-NE 3.98Å; D687-R689 IonicContact OD1-NH2 2.64Å; D687-R689 IonicContact OD2-CZ 3.45Å; D687-R689 IonicContact OD2-NE 3.76Å; D687-R689 PolarHBondContact OD2-NE 3.06Å; D687-R689 IonicContact OD2-NH2 3.61Å; D687-R689 PolarHBondContact OD2-NH2 2.91Å
690	A	88	Confident	87.7	Confident	22 Å²	22	96.5 Å²	96.5	18%	0.182	48%	0.476	C	S	.	.	B	Isolated β-bridge	trans	-74.8	139.4	170.6	0	0	0	0	0	110.4	F679 Q682 E683 F692	F679-A690 HydrophobicContact CD2-CB 3.75Å; F679-A690 HydrophobicContact CE2-CB 3.44Å; F679-A690 VanDerWaalsContact CE2-CB 3.44Å; F679-A690 HydrophobicContact CZ-CB 4.03Å; Q682-A690 HydrophobicContact CB-CB 4.02Å; E683-A690 WeakPolarHBondContact O-CA 3.47Å; A690-F692 HydrophobicContact CB-CD2 4.48Å; A690-F692 HydrophobicContact CB-CE2 3.86Å
691	V	88.7	Confident	87.9	Confident	70 Å²	70	95.4 Å²	95.4	42%	0.424	48%	0.478	S	S	.	.			trans	-105	134.7	176.6	-174.4	0	0	0	0	108.6	E683 T685	E683-V691 PolarHBondContact O-N 3.37Å; T685-V691 HydrophobicContact CG2-CG2 3.53Å
692	F	88.9	Confident	88	Confident	65 Å²	65	97.3 Å²	97.3	29%	0.285	48%	0.475	S	S	.	.			trans	-127.6	136.2	173.2	-64.3	-102.1	0	0	0	109.3	T678 Q682 A690 F697	T678-F692 HydrophobicContact CG2-CE1 4.38Å; Q682-F692 HydrophobicContact CB-CZ 4.46Å; Q682-F692 HydrophobicContact CG-CD1 3.95Å; Q682-F692 HydrophobicContact CG-CE1 3.43Å; Q682-F692 VanDerWaalsContact CG-CE1 3.43Å; Q682-F692 HydrophobicContact CG-CE2 4.15Å; Q682-F692 HydrophobicContact CG-CZ 3.55Å; A690-F692 HydrophobicContact CB-CD2 4.48Å; A690-F692 HydrophobicContact CB-CE2 3.86Å; F692-F697 HydrophobicContact CB-CB 3.83Å; F692-F697 HydrophobicContact CB-CD2 4.38Å; F692-F697 HydrophobicContact CD1-CB 4.33Å; F692-F697 HydrophobicContact CD1-CD2 4.28Å; F692-F697 HydrophobicContact CD2-CD2 4.44Å; F692-F697 HydrophobicContact CG-CB 4.3Å; F692-F697 HydrophobicContact CG-CD2 4.15Å
693	E	90.4	Very high	87.5	Confident	140 Å²	140	99.9 Å²	99.9	65%	0.654	48%	0.484	S	S	*	.			trans	-73.3	156.9	158.1	-72.9	-63.6	153	0	0	109.7	D695 D696 F697	E693-D695 VanDerWaalsContact C-N 3.32Å; E693-D695 PolarHBondContact O-N 2.9Å; E693-D696 PolarHBondContact O-N 3.15Å; E693-D696 VanDerWaalsContact O-N 3.17Å; E693-F697 WeakPolarHBondContact O-CB 3.22Å; E693-F697 PolarHBondContact O-N 3.35Å
694	A	92.1	Very high	87.2	Confident	66 Å²	66	95.1 Å²	95.1	55%	0.545	46%	0.462	S	S	.	.	H	α-helix	trans	-56.6	-44.9	-174.5	0	0	0	0	0	112.6	F697 I698	A694-F697 PolarHBondContact O-N 2.84Å; A694-I698 WeakPolarHBondContact O-CB 3.38Å; A694-I698 VanDerWaalsContact O-CG1 3.26Å; A694-I698 WeakPolarHBondContact O-CG1 3.29Å; A694-I698 PolarHBondContact O-N 3.2Å
695	D	92.1	Very high	87.3	Confident	133 Å²	133	92.7 Å²	92.7	71%	0.711	46%	0.459	S	S	*	.	H	α-helix	trans	-67.1	-39.4	-179.9	-71.9	-1.1	0	0	0	111.7	E693 I698 R699	E693-D695 VanDerWaalsContact C-N 3.32Å; E693-D695 PolarHBondContact O-N 2.9Å; D695-I698 PolarHBondContact O-N 2.95Å; D695-R699 WeakPolarHBondContact O-CB 2.99Å; D695-R699 PolarHBondContact O-N 3.5Å
696	D	87.3	Confident	87.2	Confident	57 Å²	57	94.9 Å²	94.9	31%	0.305	47%	0.467	S	S	.	.	H	α-helix	trans	-68.9	-37.8	176.8	-79.7	-43.3	0	0	0	112.4	E693 R699 S700	E693-D696 PolarHBondContact O-N 3.15Å; E693-D696 VanDerWaalsContact O-N 3.17Å; D696-R699 IonicContact OD1-CZ 2.99Å; D696-R699 IonicContact OD1-NE 3.01Å; D696-R699 IonicContact OD1-NH2 3.04Å; D696-R699 PolarHBondContact OD1-NH2 3.42Å; D696-S700 VanDerWaalsContact O-CB 3.26Å; D696-S700 WeakPolarHBondContact O-CB 3.2Å; D696-S700 PolarHBondContact O-N 2.79Å; D696-S700 PolarHBondContact O-OG 2.84Å
697	F	90.7	Very high	87.4	Confident	113 Å²	113	85.6 Å²	85.6	50%	0.496	44%	0.437	S	S	.	.	H	α-helix	trans	-63.5	-50.2	173.8	-177.2	-107	0	0	0	110.8	F692 E693 A694 R699 S700 V701	F692-F697 HydrophobicContact CB-CB 3.83Å; F692-F697 HydrophobicContact CB-CD2 4.38Å; F692-F697 HydrophobicContact CD1-CB 4.33Å; F692-F697 HydrophobicContact CD1-CD2 4.28Å; F692-F697 HydrophobicContact CD2-CD2 4.44Å; F692-F697 HydrophobicContact CG-CB 4.3Å; F692-F697 HydrophobicContact CG-CD2 4.15Å; E693-F697 WeakPolarHBondContact O-CB 3.22Å; E693-F697 PolarHBondContact O-N 3.35Å; A694-F697 PolarHBondContact O-N 2.84Å; F697-R699 VanDerWaalsContact C-N 3.35Å; F697-R699 PolarHBondContact O-N 3.12Å; F697-S700 WeakPolarHBondContact O-CB 3.1Å; F697-S700 PolarHBondContact O-N 3.12Å; F697-V701 HydrophobicContact CD1-CG2 4.3Å; F697-V701 HydrophobicContact CD2-CG2 4.37Å; F697-V701 HydrophobicContact CE1-CG2 3.91Å; F697-V701 HydrophobicContact CE2-CG2 3.98Å; F697-V701 HydrophobicContact CZ-CG2 3.73Å; F697-V701 VanDerWaalsContact O-CG2 3.31Å; F697-V701 WeakPolarHBondContact O-CG2 3.23Å; F697-V701 PolarHBondContact O-N 2.91Å
698	I	92.3	Very high	87.4	Confident	94 Å²	94	84.8 Å²	84.8	48%	0.482	43%	0.432	S	S	.	.	H	α-helix	trans	-60.9	-45.4	179.3	-69.1	168	0	0	0	110.4	A694 D695 S700 V701 I702	A694-I698 WeakPolarHBondContact O-CB 3.38Å; A694-I698 VanDerWaalsContact O-CG1 3.26Å; A694-I698 WeakPolarHBondContact O-CG1 3.29Å; A694-I698 PolarHBondContact O-N 3.2Å; D695-I698 PolarHBondContact O-N 2.95Å; I698-S700 VanDerWaalsContact C-N 3.34Å; I698-S700 PolarHBondContact O-N 3.26Å; I698-V701 PolarHBondContact O-N 3.4Å; I698-I702 HydrophobicContact CG2-CD1 3.83Å; I698-I702 WeakPolarHBondContact O-CG1 2.91Å; I698-I702 PolarHBondContact O-N 2.57Å
699	R	87.7	Confident	87.6	Confident	118 Å²	118	88.1 Å²	88.1	45%	0.445	44%	0.438	S	S	.	.	H	α-helix	trans	-59.5	-44.6	176.5	-176.9	174.9	62.5	91.9	-0.4	111.6	D695 D696 F697 I702 Y703	D695-R699 WeakPolarHBondContact O-CB 2.99Å; D695-R699 PolarHBondContact O-N 3.5Å; D696-R699 IonicContact OD1-CZ 2.99Å; D696-R699 IonicContact OD1-NE 3.01Å; D696-R699 IonicContact OD1-NH2 3.04Å; D696-R699 PolarHBondContact OD1-NH2 3.42Å; F697-R699 VanDerWaalsContact C-N 3.35Å; F697-R699 PolarHBondContact O-N 3.12Å; R699-I702 PolarHBondContact O-N 3.27Å; R699-Y703 WeakPolarHBondContact O-CD2 3.32Å; R699-Y703 PolarHBondContact O-N 2.72Å
700	S	85.7	Confident	87.6	Confident	13 Å²	13	83 Å²	83	9%	0.091	43%	0.426	C	S	.	.	H	α-helix	trans	-60.5	-45.7	177.3	-62.7	0	0	0	0	111.7	D696 F697 I698 I702 Y703 I704	D696-S700 VanDerWaalsContact O-CB 3.26Å; D696-S700 WeakPolarHBondContact O-CB 3.2Å; D696-S700 PolarHBondContact O-N 2.79Å; D696-S700 PolarHBondContact O-OG 2.84Å; F697-S700 WeakPolarHBondContact O-CB 3.1Å; F697-S700 PolarHBondContact O-N 3.12Å; I698-S700 VanDerWaalsContact C-N 3.34Å; I698-S700 PolarHBondContact O-N 3.26Å; S700-I702 VanDerWaalsContact C-N 3.34Å; S700-I702 PolarHBondContact O-N 2.99Å; S700-Y703 PolarHBondContact O-N 3.09Å; S700-I704 VanDerWaalsContact O-CD1 3.31Å; S700-I704 WeakPolarHBondContact O-CD1 3.2Å; S700-I704 VanDerWaalsContact O-CG1 3.28Å; S700-I704 WeakPolarHBondContact O-CG1 3.23Å; S700-I704 PolarHBondContact O-N 2.86Å
701	V	88.2	Confident	87.6	Confident	73 Å²	73	87.4 Å²	87.4	44%	0.442	44%	0.443	S	S	.	.	H	α-helix	trans	-67.6	-31.8	-178.9	172.9	0	0	0	0	112.4	F697 I698 Y703 I704	F697-V701 HydrophobicContact CD1-CG2 4.3Å; F697-V701 HydrophobicContact CD2-CG2 4.37Å; F697-V701 HydrophobicContact CE1-CG2 3.91Å; F697-V701 HydrophobicContact CE2-CG2 3.98Å; F697-V701 HydrophobicContact CZ-CG2 3.73Å; F697-V701 VanDerWaalsContact O-CG2 3.31Å; F697-V701 WeakPolarHBondContact O-CG2 3.23Å; F697-V701 PolarHBondContact O-N 2.91Å; I698-V701 PolarHBondContact O-N 3.4Å; V701-Y703 VanDerWaalsContact C-N 3.31Å; V701-I704 PolarHBondContact O-N 3.02Å; V701-I704 VanDerWaalsContact O-OXT 3.12Å
702	I	86.1	Confident	87.5	Confident	124 Å²	124	88.7 Å²	88.7	64%	0.636	45%	0.445	S	S	*	.	H	α-helix	trans	-69	-31.2	177.7	-71.8	168.8	0	0	0	112.1	I698 R699 S700	I698-I702 HydrophobicContact CG2-CD1 3.83Å; I698-I702 WeakPolarHBondContact O-CG1 2.91Å; I698-I702 PolarHBondContact O-N 2.57Å; R699-I702 PolarHBondContact O-N 3.27Å; S700-I702 VanDerWaalsContact C-N 3.34Å; S700-I702 PolarHBondContact O-N 2.99Å
703	Y	78.6	Confident	87.4	Confident	95 Å²	95	90.7 Å²	90.7	37%	0.373	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-3.9	-179.3	-85.5	-98.2	0	0	0	113.7	A586 L592 R699 S700 V701	A586-Y703 HydrophobicContact CB-CD1 4.12Å; A586-Y703 VanDerWaalsContact CB-O 3.24Å; A586-Y703 WeakPolarHBondContact CB-O 3.33Å; L592-Y703 HydrophobicContact CD2-CD1 4.02Å; L592-Y703 HydrophobicContact CD2-CE1 3.48Å; L592-Y703 VanDerWaalsContact CD2-CE1 3.48Å; L592-Y703 HydrophobicContact CD2-CE2 4.25Å; R699-Y703 WeakPolarHBondContact O-CD2 3.32Å; R699-Y703 PolarHBondContact O-N 2.72Å; S700-Y703 PolarHBondContact O-N 3.09Å; V701-Y703 VanDerWaalsContact C-N 3.31Å
704	I	78	Confident	87.2	Confident	62 Å²	62	86.2 Å²	86.2	32%	0.318	44%	0.44	S	S	.	.			trans	-100.6	0	174.4	-68.8	163	0	0	0	109.5	R671 T674 V675 S700 V701	R671-I704 PolarHBondContact NE-O 3.42Å; T674-I704 HydrophobicContact CG2-CG1 3.86Å; V675-I704 HydrophobicContact CG2-CB 4.47Å; V675-I704 HydrophobicContact CG2-CD1 3.89Å; V675-I704 HydrophobicContact CG2-CG1 4.15Å; V675-I704 HydrophobicContact CG2-CG2 3.49Å; V675-I704 VanDerWaalsContact CG2-CG2 3.49Å; S700-I704 VanDerWaalsContact O-CD1 3.31Å; S700-I704 WeakPolarHBondContact O-CD1 3.2Å; S700-I704 VanDerWaalsContact O-CG1 3.28Å; S700-I704 WeakPolarHBondContact O-CG1 3.23Å; S700-I704 PolarHBondContact O-N 2.86Å; V701-I704 PolarHBondContact O-N 3.02Å; V701-I704 VanDerWaalsContact O-OXT 3.12Å

Retrieved 704 of 704 residues in 211.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).