A0A3Q0KRN8_SCHMA Loading...

WW domain-binding protein 11

AlphaFold DB , UniProt , Accession A0A3Q0KRN8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 424 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	62	Low	81.7	Confident	247 Å²	247	126 Å²	126	100%	1.217	66%	0.658	S	S	*	*				0	109.9	0	-76	-177.8	-178.7	0	0	108.3
2	G	79.1	Confident	82	Confident	73 Å²	73	119.3 Å²	119.3	75%	0.753	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-65.2	146.2	-178.5	0	0	0	0	0	112.6	R4	G2-R4 PolarHBondContact O-N 2.86Å
3	R	82.4	Confident	82.5	Confident	257 Å²	257	121.9 Å²	121.9	97%	0.97	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-67.7	116.5	171.6	-68.5	-174.4	179	-118.7	2.7	108.4
4	R	77.6	Confident	82.9	Confident	164 Å²	164	123.4 Å²	123.4	62%	0.619	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-67.7	147.8	172.7	-71.7	-173.7	-65.8	-86.8	-5.6	110.3	G2	G2-R4 PolarHBondContact O-N 2.86Å
5	S	82.4	Confident	83.4	Confident	72 Å²	72	115.7 Å²	115.7	50%	0.503	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-60.2	142.9	170.6	60.7	0	0	0	0	110.2	N7 T8	S5-N7 PolarHBondContact O-N 3.38Å; S5-T8 PolarHBondContact O-N 3.03Å; S5-T8 PolarHBondContact O-OG1 2.92Å; S5-T8 WeakPolarHBondContact OG-CG2 3.38Å; S5-T8 PolarHBondContact OG-OG1 3.22Å; S5-T8 VanDerWaalsContact OG-OG1 3.13Å
6	V	82	Confident	84	Confident	129 Å²	129	114.4 Å²	114.4	78%	0.782	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60	-19.4	-176	-76.4	0	0	0	0	113.8
7	N	86	Confident	84.5	Confident	81 Å²	81	113 Å²	113	43%	0.433	60%	0.596	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.7	6	-174.2	-59.8	-2.8	0	0	0	113.4	S5 M15	S5-N7 PolarHBondContact O-N 3.38Å; N7-M15 WeakPolarHBondContact O-CB 3.44Å; N7-M15 PolarHBondContact O-N 2.78Å
8	T	87.2	Confident	85.1	Confident	33 Å²	33	111.8 Å²	111.8	20%	0.202	59%	0.594	C	S	.	*	B	Isolated β-bridge	trans	-110.3	150.6	179.4	58.4	0	0	0	0	112.9	S5 G12 K13 M15	S5-T8 PolarHBondContact O-N 3.03Å; S5-T8 PolarHBondContact O-OG1 2.92Å; S5-T8 WeakPolarHBondContact OG-CG2 3.38Å; S5-T8 PolarHBondContact OG-OG1 3.22Å; S5-T8 VanDerWaalsContact OG-OG1 3.13Å; T8-G12 WeakPolarHBondContact CG2-O 3.4Å; T8-K13 CarbonylContact C-O 3.58Å; T8-K13 WeakPolarHBondContact CA-O 3.18Å; T8-M15 WeakPolarHBondContact O-CE 3.25Å
9	T	86.9	Confident	85.5	Confident	43 Å²	43	109.7 Å²	109.7	26%	0.264	58%	0.583	S	S	.	*			trans	-73.6	173.7	173.7	62.1	0	0	0	0	111.3	S11 G12 K13 M15	T9-S11 PolarHBondContact O-N 3.03Å; T9-S11 VanDerWaalsContact O-N 3.13Å; T9-G12 PolarHBondContact O-N 3.09Å; T9-K13 PolarHBondContact N-O 2.97Å; T9-K13 PolarHBondContact OG1-N 2.87Å; T9-K13 PolarHBondContact OG1-O 3.49Å; T9-M15 HydrophobicContact CG2-SD 3.84Å
10	K	84.8	Confident	85.8	Confident	195 Å²	195	106.2 Å²	106.2	85%	0.848	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-28.1	174.9	-64.8	-177.2	-178.2	179.8	0	112.6	G12	K10-G12 VanDerWaalsContact C-N 3.34Å
11	S	88.1	Confident	86.2	Confident	92 Å²	92	103.8 Å²	103.8	64%	0.643	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	-2	178.3	-175.5	0	0	0	0	113.7	T9 K13	T9-S11 PolarHBondContact O-N 3.03Å; T9-S11 VanDerWaalsContact O-N 3.13Å; S11-K13 VanDerWaalsContact C-N 3.29Å; S11-K13 PolarHBondContact O-N 3.42Å
12	G	85.9	Confident	87.8	Confident	46 Å²	46	100.4 Å²	100.4	47%	0.474	53%	0.532	S	S	.	.	S	Bend	trans	84.2	-9.5	-175.3	0	0	0	0	0	115.2	T8 T9 K10	T8-G12 WeakPolarHBondContact CG2-O 3.4Å; T9-G12 PolarHBondContact O-N 3.09Å; K10-G12 VanDerWaalsContact C-N 3.34Å
13	K	88.6	Confident	88.5	Confident	153 Å²	153	102.1 Å²	102.1	67%	0.665	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-67.2	146	175.5	-59.9	-173.8	179.5	-173.9	0	111.2	T8 T9 S11	T8-K13 CarbonylContact C-O 3.58Å; T8-K13 WeakPolarHBondContact CA-O 3.18Å; T9-K13 PolarHBondContact N-O 2.97Å; T9-K13 PolarHBondContact OG1-N 2.87Å; T9-K13 PolarHBondContact OG1-O 3.49Å; S11-K13 VanDerWaalsContact C-N 3.29Å; S11-K13 PolarHBondContact O-N 3.42Å
14	F	88.1	Confident	89	Confident	142 Å²	142	94.3 Å²	94.3	62%	0.623	49%	0.493	S	S	*	.	B	Isolated β-bridge	trans	-54.1	138.6	171.9	-175.2	-101.8	0	0	0	110.7
15	M	90.3	Very high	89.8	Confident	9 Å²	9	89 Å²	89	4%	0.044	48%	0.484	C	S	.	.	P	Polyproline II helix	trans	-77	138.2	179.8	-164.1	95.7	63	0	0	110.7	N7 T8 T9 D19 Q20 K23	N7-M15 WeakPolarHBondContact O-CB 3.44Å; N7-M15 PolarHBondContact O-N 2.78Å; T8-M15 WeakPolarHBondContact O-CE 3.25Å; T9-M15 HydrophobicContact CG2-SD 3.84Å; M15-D19 HydrophobicContact CG-CB 3.85Å; M15-D19 HydrophobicContact SD-CB 4.47Å; M15-Q20 HydrophobicContact CB-CG 3.7Å; M15-Q20 HydrophobicContact CG-CG 3.84Å; M15-Q20 PolarHBondContact O-NE2 3.14Å; M15-K23 HydrophobicContact CE-CD 3.9Å; M15-K23 HydrophobicContact SD-CD 4.21Å; M15-K23 PolarHBondContact SD-NZ 3.28Å
16	N	92.4	Very high	90.5	Very high	95 Å²	95	93.8 Å²	93.8	51%	0.508	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-54.7	134.5	174	-178.8	-35.4	0	0	0	110.9	T18 D19 Q20	N16-T18 VanDerWaalsContact C-N 3.26Å; N16-T18 PolarHBondContact O-N 3.06Å; N16-T18 PolarHBondContact OD1-N 2.97Å; N16-D19 HydrophobicContact CB-CB 4.3Å; N16-D19 WeakPolarHBondContact O-CA 3.45Å; N16-D19 WeakPolarHBondContact O-CB 3.4Å; N16-D19 PolarHBondContact O-N 3.41Å; N16-Q20 PolarHBondContact O-N 2.9Å
17	P	93.1	Very high	91.2	Very high	90 Å²	90	93.7 Å²	93.7	58%	0.584	48%	0.48	S	S	*	.	H	α-helix	trans	-49	-38.9	177.6	-29.8	35.7	0	0	0	115.2	D19 Q20 A21	P17-D19 VanDerWaalsContact C-N 3.35Å; P17-D19 PolarHBondContact O-N 3.02Å; P17-Q20 WeakPolarHBondContact O-CB 3.35Å; P17-Q20 PolarHBondContact O-N 2.88Å; P17-A21 PolarHBondContact O-N 3.27Å
18	T	94.4	Very high	91.7	Very high	92 Å²	92	96.6 Å²	96.6	56%	0.564	49%	0.485	S	S	*	.	H	α-helix	trans	-64.6	-39.7	176.1	-53.2	0	0	0	0	112	N16 A21 R22	N16-T18 VanDerWaalsContact C-N 3.26Å; N16-T18 PolarHBondContact O-N 3.06Å; N16-T18 PolarHBondContact OD1-N 2.97Å; T18-A21 PolarHBondContact O-N 3.16Å; T18-R22 WeakPolarHBondContact O-CB 3.38Å; T18-R22 PolarHBondContact O-N 3.41Å
19	D	93.7	Very high	92.2	Very high	71 Å²	71	100.5 Å²	100.5	38%	0.38	50%	0.501	S	S	.	.	H	α-helix	trans	-70.2	-35.1	176.4	-97	14	0	0	0	111.8	M15 N16 P17 K23	M15-D19 HydrophobicContact CG-CB 3.85Å; M15-D19 HydrophobicContact SD-CB 4.47Å; N16-D19 HydrophobicContact CB-CB 4.3Å; N16-D19 WeakPolarHBondContact O-CA 3.45Å; N16-D19 WeakPolarHBondContact O-CB 3.4Å; N16-D19 PolarHBondContact O-N 3.41Å; P17-D19 VanDerWaalsContact C-N 3.35Å; P17-D19 PolarHBondContact O-N 3.02Å; D19-K23 VanDerWaalsContact O-CB 3.31Å; D19-K23 WeakPolarHBondContact O-CB 3.25Å; D19-K23 VanDerWaalsContact O-CG 3.26Å; D19-K23 WeakPolarHBondContact O-CG 3.41Å; D19-K23 PolarHBondContact O-N 3.22Å
20	Q	91	Very high	92.7	Very high	40 Å²	40	103.3 Å²	103.3	19%	0.187	51%	0.514	C	S	.	.	H	α-helix	trans	-61.7	-52.1	172.1	-65.3	-173.4	15.9	0	0	110.5	M15 N16 P17 R22 K23 E24	M15-Q20 HydrophobicContact CB-CG 3.7Å; M15-Q20 HydrophobicContact CG-CG 3.84Å; M15-Q20 PolarHBondContact O-NE2 3.14Å; N16-Q20 PolarHBondContact O-N 2.9Å; P17-Q20 WeakPolarHBondContact O-CB 3.35Å; P17-Q20 PolarHBondContact O-N 2.88Å; Q20-R22 VanDerWaalsContact C-N 3.34Å; Q20-R22 PolarHBondContact O-N 3Å; Q20-K23 PolarHBondContact O-N 3.23Å; Q20-K23 VanDerWaalsContact O-N 3.11Å; Q20-E24 WeakPolarHBondContact O-CG 3.5Å; Q20-E24 PolarHBondContact O-N 3.08Å
21	A	94.1	Very high	93.3	Very high	56 Å²	56	100.1 Å²	100.1	46%	0.463	50%	0.5	S	S	.	.	H	α-helix	trans	-57.9	-43.5	178.1	0	0	0	0	0	112.3	P17 T18 E24 A25	P17-A21 PolarHBondContact O-N 3.27Å; T18-A21 PolarHBondContact O-N 3.16Å; A21-E24 PolarHBondContact O-N 3.31Å; A21-A25 WeakPolarHBondContact O-CB 3.37Å; A21-A25 PolarHBondContact O-N 2.89Å
22	R	95.5	Very high	93.8	Very high	176 Å²	176	102.8 Å²	102.8	66%	0.664	50%	0.5	S	S	*	.	H	α-helix	trans	-61.5	-44.8	174.9	-172	-170.8	-62.8	-148.6	1	111.9	T18 Q20 A25 R26	T18-R22 WeakPolarHBondContact O-CB 3.38Å; T18-R22 PolarHBondContact O-N 3.41Å; Q20-R22 VanDerWaalsContact C-N 3.34Å; Q20-R22 PolarHBondContact O-N 3Å; R22-A25 PolarHBondContact O-N 2.85Å; R22-R26 WeakPolarHBondContact O-CB 3.28Å; R22-R26 PolarHBondContact O-N 2.83Å
23	K	93.5	Very high	94.4	Very high	109 Å²	109	103.3 Å²	103.3	47%	0.474	49%	0.492	S	S	.	.	H	α-helix	trans	-66	-38.3	178.3	-78.6	179.4	178.2	-179.7	0	111.9	M15 D19 Q20 K27	M15-K23 HydrophobicContact CE-CD 3.9Å; M15-K23 HydrophobicContact SD-CD 4.21Å; M15-K23 PolarHBondContact SD-NZ 3.28Å; D19-K23 VanDerWaalsContact O-CB 3.31Å; D19-K23 WeakPolarHBondContact O-CB 3.25Å; D19-K23 VanDerWaalsContact O-CG 3.26Å; D19-K23 WeakPolarHBondContact O-CG 3.41Å; D19-K23 PolarHBondContact O-N 3.22Å; Q20-K23 PolarHBondContact O-N 3.23Å; Q20-K23 VanDerWaalsContact O-N 3.11Å; K23-K27 VanDerWaalsContact O-CB 3.31Å; K23-K27 WeakPolarHBondContact O-CB 3.29Å; K23-K27 PolarHBondContact O-N 3.48Å
24	E	92.6	Very high	94.9	Very high	92 Å²	92	103.1 Å²	103.1	43%	0.43	49%	0.491	S	S	.	.	H	α-helix	trans	-65.9	-45.2	174.3	-73.6	-169.9	179.4	0	0	112.4	Q20 A21 R26 K27 R28	Q20-E24 WeakPolarHBondContact O-CG 3.5Å; Q20-E24 PolarHBondContact O-N 3.08Å; A21-E24 PolarHBondContact O-N 3.31Å; E24-R26 VanDerWaalsContact C-N 3.35Å; E24-R26 PolarHBondContact O-N 3.42Å; E24-K27 WeakPolarHBondContact O-CB 3.33Å; E24-K27 PolarHBondContact O-N 3.49Å; E24-K27 VanDerWaalsContact O-N 3.15Å; E24-R28 WeakPolarHBondContact O-CG 3.41Å; E24-R28 PolarHBondContact O-N 2.9Å; E24-R28 IonicContact OE2-CZ 3.48Å; E24-R28 IonicContact OE2-NH1 3.57Å; E24-R28 IonicContact OE2-NH2 3.64Å; E24-R28 PolarHBondContact OE2-NH2 3.29Å
25	A	96.3	Very high	95.3	Very high	52 Å²	52	104 Å²	104	43%	0.43	50%	0.495	S	S	.	.	H	α-helix	trans	-57.5	-48	174.7	0	0	0	0	0	111	A21 R22 K27 R28 E29	A21-A25 WeakPolarHBondContact O-CB 3.37Å; A21-A25 PolarHBondContact O-N 2.89Å; R22-A25 PolarHBondContact O-N 2.85Å; A25-K27 VanDerWaalsContact C-N 3.33Å; A25-K27 PolarHBondContact O-N 3.27Å; A25-R28 WeakPolarHBondContact O-CB 3.2Å; A25-R28 PolarHBondContact O-N 3.47Å; A25-R28 VanDerWaalsContact O-N 3.16Å; A25-E29 PolarHBondContact O-N 3.19Å
26	R	96.9	Very high	95.7	Very high	174 Å²	174	109.5 Å²	109.5	66%	0.657	52%	0.52	S	S	*	.	H	α-helix	trans	-60.1	-40.7	174.5	-172.9	-179.8	-178.8	-172.7	1.8	112.2	R22 E24 E29 L30	R22-R26 WeakPolarHBondContact O-CB 3.28Å; R22-R26 PolarHBondContact O-N 2.83Å; E24-R26 VanDerWaalsContact C-N 3.35Å; E24-R26 PolarHBondContact O-N 3.42Å; R26-E29 PolarHBondContact O-N 3.05Å; R26-L30 HydrophobicContact CG-CD1 4.3Å; R26-L30 HydrophobicContact CG-CG 4.5Å; R26-L30 WeakPolarHBondContact O-CB 3.38Å; R26-L30 WeakPolarHBondContact O-CG 3.35Å; R26-L30 PolarHBondContact O-N 3.42Å
27	K	96.2	Very high	96	Very high	126 Å²	126	113.2 Å²	113.2	55%	0.548	53%	0.527	S	S	.	.	H	α-helix	trans	-63.7	-40.7	175.9	-175	-179.2	-179.4	-177.4	0	111.4	K23 E24 A25 K31	K23-K27 VanDerWaalsContact O-CB 3.31Å; K23-K27 WeakPolarHBondContact O-CB 3.29Å; K23-K27 PolarHBondContact O-N 3.48Å; E24-K27 WeakPolarHBondContact O-CB 3.33Å; E24-K27 PolarHBondContact O-N 3.49Å; E24-K27 VanDerWaalsContact O-N 3.15Å; A25-K27 VanDerWaalsContact C-N 3.33Å; A25-K27 PolarHBondContact O-N 3.27Å; K27-K31 WeakPolarHBondContact O-CG 3.5Å; K27-K31 PolarHBondContact O-N 2.94Å
28	R	96.8	Very high	96.2	Very high	142 Å²	142	113.6 Å²	113.6	54%	0.536	52%	0.522	S	S	.	.	H	α-helix	trans	-64.2	-43.7	174.9	-68.8	179.9	-168.2	106.4	10	111	E24 A25 K31 K32	E24-R28 WeakPolarHBondContact O-CG 3.41Å; E24-R28 PolarHBondContact O-N 2.9Å; E24-R28 IonicContact OE2-CZ 3.48Å; E24-R28 IonicContact OE2-NH1 3.57Å; E24-R28 IonicContact OE2-NH2 3.64Å; E24-R28 PolarHBondContact OE2-NH2 3.29Å; A25-R28 WeakPolarHBondContact O-CB 3.2Å; A25-R28 PolarHBondContact O-N 3.47Å; A25-R28 VanDerWaalsContact O-N 3.16Å; R28-K31 WeakPolarHBondContact O-CB 3.49Å; R28-K31 PolarHBondContact O-N 3.34Å; R28-K32 PolarHBondContact O-N 3.36Å
29	E	96.6	Very high	96.3	Very high	116 Å²	116	112 Å²	112	54%	0.542	52%	0.519	S	S	.	.	H	α-helix	trans	-63	-45.2	175.7	-178.9	179.5	-155.7	0	0	112.6	A25 R26 K31 K32 N33	A25-E29 PolarHBondContact O-N 3.19Å; R26-E29 PolarHBondContact O-N 3.05Å; E29-K31 VanDerWaalsContact C-N 3.27Å; E29-K31 PolarHBondContact O-N 2.96Å; E29-K32 WeakPolarHBondContact O-CB 3.33Å; E29-K32 PolarHBondContact O-N 2.85Å; E29-K32 VanDerWaalsContact O-N 3.12Å; E29-N33 PolarHBondContact O-N 3.32Å; E29-N33 PolarHBondContact O-ND2 3.2Å
30	L	97.4	Very high	96.5	Very high	101 Å²	101	113 Å²	113	53%	0.529	53%	0.527	S	S	.	.	H	α-helix	trans	-62.5	-34.3	175.6	-73.1	175.2	0	0	0	112.1	R26 K34	R26-L30 HydrophobicContact CG-CD1 4.3Å; R26-L30 HydrophobicContact CG-CG 4.5Å; R26-L30 WeakPolarHBondContact O-CB 3.38Å; R26-L30 WeakPolarHBondContact O-CG 3.35Å; R26-L30 PolarHBondContact O-N 3.42Å; L30-K34 WeakPolarHBondContact O-CB 3.33Å; L30-K34 PolarHBondContact O-N 3.26Å
31	K	98.3	Very high	96.7	Very high	129 Å²	129	119.2 Å²	119.2	56%	0.561	55%	0.549	S	S	*	.	H	α-helix	trans	-65.4	-43	171.7	-75.8	178.9	176.5	-171.4	0	111.8	K27 R28 E29 K34 K35	K27-K31 WeakPolarHBondContact O-CG 3.5Å; K27-K31 PolarHBondContact O-N 2.94Å; R28-K31 WeakPolarHBondContact O-CB 3.49Å; R28-K31 PolarHBondContact O-N 3.34Å; E29-K31 VanDerWaalsContact C-N 3.27Å; E29-K31 PolarHBondContact O-N 2.96Å; K31-K34 PolarHBondContact O-N 3.44Å; K31-K35 WeakPolarHBondContact O-CG 3.25Å; K31-K35 PolarHBondContact O-N 2.91Å
32	K	98.2	Very high	96.8	Very high	147 Å²	147	120.5 Å²	120.5	64%	0.639	54%	0.543	S	S	*	.	H	α-helix	trans	-59.7	-48	174.3	-69.4	179.6	-179.4	-176	0	111.1	R28 E29 K34 K35 Q36	R28-K32 PolarHBondContact O-N 3.36Å; E29-K32 WeakPolarHBondContact O-CB 3.33Å; E29-K32 PolarHBondContact O-N 2.85Å; E29-K32 VanDerWaalsContact O-N 3.12Å; K32-K34 PolarHBondContact O-N 3.28Å; K32-K35 WeakPolarHBondContact O-CB 3.45Å; K32-K35 PolarHBondContact O-N 3.42Å; K32-K35 VanDerWaalsContact O-N 3.16Å; K32-Q36 WeakPolarHBondContact O-CG 3.43Å; K32-Q36 PolarHBondContact O-N 3.45Å
33	N	98.2	Very high	96.8	Very high	57 Å²	57	114.9 Å²	114.9	31%	0.305	53%	0.533	S	S	.	.	H	α-helix	trans	-59.3	-43.4	175.4	-81.3	-75.8	0	0	0	112.6	E29 K35 Q36 R37	E29-N33 PolarHBondContact O-N 3.32Å; E29-N33 PolarHBondContact O-ND2 3.2Å; N33-K35 VanDerWaalsContact C-N 3.34Å; N33-K35 PolarHBondContact O-N 2.93Å; N33-Q36 PolarHBondContact O-N 3.31Å; N33-R37 WeakPolarHBondContact O-CG 3.49Å; N33-R37 PolarHBondContact O-N 3.3Å
34	K	98.6	Very high	97	Very high	150 Å²	150	114 Å²	114	65%	0.652	54%	0.537	S	S	*	.	H	α-helix	trans	-60.9	-43.9	175.4	-173.2	176.8	-179.7	-178.4	0	111	L30 K31 K32 R37 M38	L30-K34 WeakPolarHBondContact O-CB 3.33Å; L30-K34 PolarHBondContact O-N 3.26Å; K31-K34 PolarHBondContact O-N 3.44Å; K32-K34 PolarHBondContact O-N 3.28Å; K34-R37 PolarHBondContact O-N 2.64Å; K34-M38 WeakPolarHBondContact O-CG 3.26Å; K34-M38 PolarHBondContact O-N 3.43Å
35	K	98.3	Very high	97.1	Very high	161 Å²	161	111.2 Å²	111.2	70%	0.7	53%	0.525	S	S	*	.	H	α-helix	trans	-61.4	-45.9	175.6	-74.1	-176.3	176.2	-168.1	0	111.9	K31 K32 N33 R37 M38 A39	K31-K35 WeakPolarHBondContact O-CG 3.25Å; K31-K35 PolarHBondContact O-N 2.91Å; K32-K35 WeakPolarHBondContact O-CB 3.45Å; K32-K35 PolarHBondContact O-N 3.42Å; K32-K35 VanDerWaalsContact O-N 3.16Å; N33-K35 VanDerWaalsContact C-N 3.34Å; N33-K35 PolarHBondContact O-N 2.93Å; K35-R37 PolarHBondContact O-N 3.03Å; K35-M38 PolarHBondContact O-N 2.97Å; K35-A39 WeakPolarHBondContact O-CB 3.26Å; K35-A39 PolarHBondContact O-N 3.3Å
36	Q	98.1	Very high	97	Very high	123 Å²	123	114.8 Å²	114.8	58%	0.575	53%	0.527	S	S	*	.	H	α-helix	trans	-59.1	-46.5	175.9	-73.3	173.6	-10	0	0	111.5	K32 N33 M38 A39 V40	K32-Q36 WeakPolarHBondContact O-CG 3.43Å; K32-Q36 PolarHBondContact O-N 3.45Å; N33-Q36 PolarHBondContact O-N 3.31Å; Q36-M38 VanDerWaalsContact C-N 3.3Å; Q36-M38 PolarHBondContact O-N 3.46Å; Q36-A39 PolarHBondContact O-N 2.98Å; Q36-A39 VanDerWaalsContact O-N 3.15Å; Q36-V40 WeakPolarHBondContact O-CG2 3.43Å; Q36-V40 PolarHBondContact O-N 3.26Å
37	R	98.1	Very high	97	Very high	174 Å²	174	110.7 Å²	110.7	66%	0.657	53%	0.53	S	S	*	.	H	α-helix	trans	-59.5	-40.5	175.4	-71	176.7	-174.3	-167.5	0.6	112.4	N33 K34 K35 R41	N33-R37 WeakPolarHBondContact O-CG 3.49Å; N33-R37 PolarHBondContact O-N 3.3Å; K34-R37 PolarHBondContact O-N 2.64Å; K35-R37 PolarHBondContact O-N 3.03Å; R37-R41 WeakPolarHBondContact O-CB 3.39Å; R37-R41 VanDerWaalsContact O-CG 3.23Å; R37-R41 WeakPolarHBondContact O-CG 3.48Å; R37-R41 PolarHBondContact O-N 3.36Å
38	M	96.7	Very high	97	Very high	97 Å²	97	108.9 Å²	108.9	48%	0.478	52%	0.523	S	S	.	.	H	α-helix	trans	-67.7	-39.1	175.9	-68	-54.5	-62.4	0	0	112	K34 K35 Q36 R41 Y42	K34-M38 WeakPolarHBondContact O-CG 3.26Å; K34-M38 PolarHBondContact O-N 3.43Å; K35-M38 PolarHBondContact O-N 2.97Å; Q36-M38 VanDerWaalsContact C-N 3.3Å; Q36-M38 PolarHBondContact O-N 3.46Å; M38-R41 PolarHBondContact O-N 3.23Å; M38-Y42 WeakPolarHBondContact O-CB 3.45Å; M38-Y42 PolarHBondContact O-N 3.38Å
39	A	96.7	Very high	96.9	Very high	60 Å²	60	105.6 Å²	105.6	50%	0.496	52%	0.515	S	S	.	.	H	α-helix	trans	-64.4	-42.4	174.8	0	0	0	0	0	111.8	K35 Q36 Y42 A43	K35-A39 WeakPolarHBondContact O-CB 3.26Å; K35-A39 PolarHBondContact O-N 3.3Å; Q36-A39 PolarHBondContact O-N 2.98Å; Q36-A39 VanDerWaalsContact O-N 3.15Å; A39-Y42 WeakPolarHBondContact O-CB 3.41Å; A39-Y42 PolarHBondContact O-N 2.92Å; A39-A43 WeakPolarHBondContact O-CB 3.44Å; A39-A43 PolarHBondContact O-N 2.9Å
40	V	98.1	Very high	96.9	Very high	91 Å²	91	100.1 Å²	100.1	55%	0.552	49%	0.49	S	S	*	.	H	α-helix	trans	-62.2	-45.6	173.5	172.9	0	0	0	0	110.7	Q36 Y42 A43 V44	Q36-V40 WeakPolarHBondContact O-CG2 3.43Å; Q36-V40 PolarHBondContact O-N 3.26Å; V40-Y42 VanDerWaalsContact C-N 3.28Å; V40-Y42 PolarHBondContact O-N 2.99Å; V40-A43 PolarHBondContact O-N 3.32Å; V40-V44 HydrophobicContact CG1-CG2 4.31Å; V40-V44 VanDerWaalsContact O-CG2 3.31Å; V40-V44 WeakPolarHBondContact O-CG2 3.44Å; V40-V44 PolarHBondContact O-N 3.15Å
41	R	96.1	Very high	96.9	Very high	170 Å²	170	99.5 Å²	99.5	64%	0.642	49%	0.487	S	S	*	.	H	α-helix	trans	-58.3	-40.5	175.2	-75.3	170.8	179.2	-172.2	-4.6	112.2	R37 M38 L45	R37-R41 WeakPolarHBondContact O-CB 3.39Å; R37-R41 VanDerWaalsContact O-CG 3.23Å; R37-R41 WeakPolarHBondContact O-CG 3.48Å; R37-R41 PolarHBondContact O-N 3.36Å; M38-R41 PolarHBondContact O-N 3.23Å; R41-L45 WeakPolarHBondContact O-CB 3.02Å; R41-L45 PolarHBondContact O-N 2.86Å; R41-L45 VanDerWaalsContact O-N 3.11Å
42	Y	95.4	Very high	96.8	Very high	84 Å²	84	98.2 Å²	98.2	33%	0.329	48%	0.483	S	S	.	.	H	α-helix	trans	-64.8	-47.1	176.6	-172	-84.9	0	0	0	111.9	M38 A39 V40 L45 R46 L95 E99	M38-Y42 WeakPolarHBondContact O-CB 3.45Å; M38-Y42 PolarHBondContact O-N 3.38Å; A39-Y42 WeakPolarHBondContact O-CB 3.41Å; A39-Y42 PolarHBondContact O-N 2.92Å; V40-Y42 VanDerWaalsContact C-N 3.28Å; V40-Y42 PolarHBondContact O-N 2.99Å; Y42-L45 PolarHBondContact O-N 2.8Å; Y42-R46 WeakPolarHBondContact O-CB 3.18Å; Y42-R46 PolarHBondContact O-N 2.95Å; Y42-L95 HydrophobicContact CD2-CD1 3.44Å; Y42-L95 VanDerWaalsContact CD2-CD1 3.44Å; Y42-L95 HydrophobicContact CD2-CG 4.48Å; Y42-L95 HydrophobicContact CE1-CD1 4.45Å; Y42-L95 HydrophobicContact CE1-CD2 4.43Å; Y42-L95 HydrophobicContact CE2-CD1 3.02Å; Y42-L95 HydrophobicContact CE2-CD2 4.35Å; Y42-L95 HydrophobicContact CE2-CG 3.78Å; Y42-L95 HydrophobicContact CG-CD1 4.32Å; Y42-E99 WeakPolarHBondContact CE1-OE1 3.48Å; Y42-E99 VanDerWaalsContact OH-CG 3.32Å; Y42-E99 WeakPolarHBondContact OH-CG 3.26Å; Y42-E99 PolarHBondContact OH-OE1 3.09Å
43	A	96.7	Very high	96.8	Very high	57 Å²	57	91.8 Å²	91.8	47%	0.471	46%	0.455	S	S	.	.	H	α-helix	trans	-63.8	-44.2	179.2	0	0	0	0	0	112.3	A39 V40 L45 R46 A47	A39-A43 WeakPolarHBondContact O-CB 3.44Å; A39-A43 PolarHBondContact O-N 2.9Å; V40-A43 PolarHBondContact O-N 3.32Å; A43-L45 VanDerWaalsContact C-N 3.28Å; A43-L45 PolarHBondContact O-N 2.67Å; A43-R46 PolarHBondContact O-N 3.43Å; A43-A47 WeakPolarHBondContact O-CB 3.45Å; A43-A47 PolarHBondContact O-N 2.93Å
44	V	97	Very high	96.7	Very high	90 Å²	90	89.6 Å²	89.6	55%	0.545	44%	0.443	S	S	.	.	H	α-helix	trans	-62.1	-37	175.7	171.3	0	0	0	0	111.5	V40	V40-V44 HydrophobicContact CG1-CG2 4.31Å; V40-V44 VanDerWaalsContact O-CG2 3.31Å; V40-V44 WeakPolarHBondContact O-CG2 3.44Å; V40-V44 PolarHBondContact O-N 3.15Å
45	L	95.5	Very high	96.6	Very high	34 Å²	34	89.2 Å²	89.2	18%	0.178	44%	0.444	C	S	.	.	H	α-helix	trans	-67.7	-50.9	175.4	-174.6	60.5	0	0	0	110.5	R41 Y42 A43 A47 K48 T88 R91 L92 L95	R41-L45 WeakPolarHBondContact O-CB 3.02Å; R41-L45 PolarHBondContact O-N 2.86Å; R41-L45 VanDerWaalsContact O-N 3.11Å; Y42-L45 PolarHBondContact O-N 2.8Å; A43-L45 VanDerWaalsContact C-N 3.28Å; A43-L45 PolarHBondContact O-N 2.67Å; L45-A47 PolarHBondContact O-N 3.39Å; L45-K48 WeakPolarHBondContact O-CB 3.35Å; L45-K48 PolarHBondContact O-N 3.5Å; L45-K48 VanDerWaalsContact O-N 3.09Å; L45-T88 HydrophobicContact CD1-CG2 4.08Å; L45-R91 HydrophobicContact CD1-CB 4.5Å; L45-R91 HydrophobicContact CD2-CB 4.02Å; L45-L92 HydrophobicContact CD1-CD2 4.11Å; L45-L92 HydrophobicContact CD1-CG 3.99Å; L45-L92 HydrophobicContact CG-CD2 3.85Å; L45-L92 HydrophobicContact CG-CG 4.21Å; L45-L92 WeakPolarHBondContact O-CD2 3.49Å; L45-L95 HydrophobicContact CD2-CD1 4.34Å
46	R	94.1	Very high	96.6	Very high	128 Å²	128	85.2 Å²	85.2	48%	0.483	43%	0.428	S	S	.	.	H	α-helix	trans	-60.7	-25.9	-179.6	-173.2	176.3	176.2	158.9	8	114.2	Y42 A43 K48 L95 E99	Y42-R46 WeakPolarHBondContact O-CB 3.18Å; Y42-R46 PolarHBondContact O-N 2.95Å; A43-R46 PolarHBondContact O-N 3.43Å; R46-K48 PolarHBondContact O-N 2.96Å; R46-L95 HydrophobicContact CB-CD2 4Å; R46-L95 HydrophobicContact CG-CD2 4.48Å; R46-E99 IonicContact CZ-OE1 3.83Å; R46-E99 IonicContact CZ-OE2 3.75Å; R46-E99 VanDerWaalsContact CZ-OE2 3.26Å; R46-E99 IonicContact NE-OE2 3.85Å; R46-E99 IonicContact NH1-OE1 2.64Å; R46-E99 PolarHBondContact NH1-OE1 3.34Å; R46-E99 IonicContact NH1-OE2 3.41Å; R46-E99 PolarHBondContact NH1-OE2 3.39Å; R46-E99 IonicContact NH2-OE2 2.89Å
47	A	95.8	Very high	96.6	Very high	87 Å²	87	79.4 Å²	79.4	72%	0.719	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-12.7	177.2	0	0	0	0	0	113.8	A43 L45	A43-A47 WeakPolarHBondContact O-CB 3.45Å; A43-A47 PolarHBondContact O-N 2.93Å; L45-A47 PolarHBondContact O-N 3.39Å
48	K	96.3	Very high	96.5	Very high	89 Å²	89	72.5 Å²	72.5	39%	0.387	38%	0.378	S	S	.	.	S	Bend	trans	-85	136.9	176.5	-61	-176.8	178.4	-168.2	0	110.6	L45 R46 P50 T88 L92	L45-K48 WeakPolarHBondContact O-CB 3.35Å; L45-K48 PolarHBondContact O-N 3.5Å; L45-K48 VanDerWaalsContact O-N 3.09Å; R46-K48 PolarHBondContact O-N 2.96Å; K48-P50 WeakPolarHBondContact O-CD 3.26Å; K48-T88 HydrophobicContact CD-CG2 3.76Å; K48-L92 HydrophobicContact CB-CD1 4.26Å
49	D	95.7	Very high	96.4	Very high	72 Å²	72	72.5 Å²	72.5	39%	0.385	38%	0.38	S	S	.	.			trans	-80.7	118.8	172.6	-176.6	-3.7	0	0	0	110.5	L51 Q52 L53	D49-L51 VanDerWaalsContact C-N 3.29Å; D49-L51 PolarHBondContact O-N 3.46Å; D49-L51 PolarHBondContact OD1-N 2.9Å; D49-Q52 HydrophobicContact CB-CB 3.87Å; D49-Q52 PolarHBondContact O-N 3.27Å; D49-L53 PolarHBondContact O-N 3.18Å
50	P	96.4	Very high	96.3	Very high	1 Å²	1	72 Å²	72	1%	0.006	37%	0.365	C	S	.	.	H	α-helix	trans	-63.1	-29.8	177.8	26.8	-36.4	0	0	0	113.8	K48 L54 F89 L92 Y96 Y103 L107	K48-P50 WeakPolarHBondContact O-CD 3.26Å; P50-L54 PolarHBondContact O-N 3.32Å; P50-F89 HydrophobicContact CB-CD2 4.05Å; P50-F89 HydrophobicContact CB-CE2 3.93Å; P50-F89 VanDerWaalsContact O-CD2 3.3Å; P50-F89 WeakPolarHBondContact O-CD2 3.32Å; P50-F89 WeakPolarHBondContact O-CE2 3.35Å; P50-L92 HydrophobicContact CB-CD1 4.04Å; P50-Y96 HydrophobicContact CG-CE2 4.35Å; P50-Y103 HydrophobicContact CG-CE1 4.28Å; P50-Y103 VanDerWaalsContact CG-OH 3.31Å; P50-Y103 WeakPolarHBondContact CG-OH 3.31Å; P50-L107 HydrophobicContact CB-CD1 3.88Å; P50-L107 HydrophobicContact CB-CD2 3.74Å; P50-L107 HydrophobicContact CB-CG 4.43Å; P50-L107 HydrophobicContact CG-CD1 3.74Å; P50-L107 HydrophobicContact CG-CD2 3.49Å; P50-L107 VanDerWaalsContact CG-CD2 3.49Å; P50-L107 HydrophobicContact CG-CG 4.26Å
51	L	96.1	Very high	96.1	Very high	89 Å²	89	67.8 Å²	67.8	47%	0.466	34%	0.339	S	S	.	.	H	α-helix	trans	-73.6	-38.2	178.8	-65	-179.7	0	0	0	111.4	D49 L53 L54 E55 L107 A110	D49-L51 VanDerWaalsContact C-N 3.29Å; D49-L51 PolarHBondContact O-N 3.46Å; D49-L51 PolarHBondContact OD1-N 2.9Å; L51-L53 VanDerWaalsContact C-N 3.31Å; L51-L53 PolarHBondContact O-N 2.86Å; L51-L54 WeakPolarHBondContact O-CB 3.38Å; L51-L54 PolarHBondContact O-N 3.16Å; L51-L54 VanDerWaalsContact O-N 3.08Å; L51-E55 PolarHBondContact O-N 2.98Å; L51-L107 HydrophobicContact CD2-CD2 4.23Å; L51-A110 HydrophobicContact CD2-CB 4.1Å
52	Q	97.1	Very high	95.9	Very high	102 Å²	102	65.1 Å²	65.1	48%	0.477	33%	0.332	S	S	.	.	H	α-helix	trans	-59.7	-40.8	173.3	-172.3	179.9	16	0	0	111.8	D49 L54 E55 E56	D49-Q52 HydrophobicContact CB-CB 3.87Å; D49-Q52 PolarHBondContact O-N 3.27Å; Q52-L54 PolarHBondContact O-N 2.99Å; Q52-E55 PolarHBondContact O-N 3.38Å; Q52-E56 WeakPolarHBondContact O-CG 3.41Å; Q52-E56 PolarHBondContact O-N 3.14Å
53	L	97.5	Very high	95.7	Very high	11 Å²	11	63.4 Å²	63.4	6%	0.058	33%	0.328	C	S	.	.	H	α-helix	trans	-59.5	-36.5	174.9	-67.5	173.9	0	0	0	112.2	D49 L51 T57 L85 T88 F89 L92	D49-L53 PolarHBondContact O-N 3.18Å; L51-L53 VanDerWaalsContact C-N 3.31Å; L51-L53 PolarHBondContact O-N 2.86Å; L53-T57 WeakPolarHBondContact O-CB 3.45Å; L53-T57 PolarHBondContact O-N 3.19Å; L53-T57 PolarHBondContact O-OG1 3.31Å; L53-L85 HydrophobicContact CD2-CD2 3.67Å; L53-T88 HydrophobicContact CD1-CG2 3.75Å; L53-T88 HydrophobicContact CD2-CG2 4.47Å; L53-F89 HydrophobicContact CD1-CB 4.39Å; L53-L92 HydrophobicContact CD1-CD1 3.59Å
54	L	97.2	Very high	95.4	Very high	11 Å²	11	62 Å²	62	6%	0.058	31%	0.311	C	S	.	.	H	α-helix	trans	-72.5	-36.7	179.4	-161.6	62	0	0	0	112.1	P50 L51 Q52 T57 T58 A110 Y114	P50-L54 PolarHBondContact O-N 3.32Å; L51-L54 WeakPolarHBondContact O-CB 3.38Å; L51-L54 PolarHBondContact O-N 3.16Å; L51-L54 VanDerWaalsContact O-N 3.08Å; Q52-L54 PolarHBondContact O-N 2.99Å; L54-T57 PolarHBondContact O-N 3.35Å; L54-T58 PolarHBondContact O-N 2.69Å; L54-T58 PolarHBondContact O-OG1 3.4Å; L54-A110 HydrophobicContact CD2-CB 4.13Å; L54-A110 WeakPolarHBondContact CD2-O 3.37Å; L54-Y114 VanDerWaalsContact CD1-CB 3.43Å; L54-Y114 HydrophobicContact CD1-CD1 3.65Å; L54-Y114 HydrophobicContact CD1-CD2 3.69Å; L54-Y114 HydrophobicContact CD1-CE1 4.35Å; L54-Y114 HydrophobicContact CD1-CE2 4.39Å; L54-Y114 HydrophobicContact CD1-CG 3.27Å; L54-Y114 HydrophobicContact CD2-CG 4.48Å; L54-Y114 HydrophobicContact CG-CD2 4.07Å; L54-Y114 HydrophobicContact CG-CG 3.93Å
55	E	96.9	Very high	95.1	Very high	143 Å²	143	58.8 Å²	58.8	67%	0.668	29%	0.289	S	S	*	.	H	α-helix	trans	-64.1	-47.5	172.7	-175.7	176.4	-164.2	0	0	111.3	L51 Q52 T57 T58 L59	L51-E55 PolarHBondContact O-N 2.98Å; Q52-E55 PolarHBondContact O-N 3.38Å; E55-T57 PolarHBondContact O-N 2.95Å; E55-T58 WeakPolarHBondContact O-CB 3.48Å; E55-T58 PolarHBondContact O-N 3.47Å; E55-T58 VanDerWaalsContact O-N 3.09Å; E55-L59 PolarHBondContact O-N 3.32Å
56	E	97.4	Very high	94.8	Very high	76 Å²	76	59.7 Å²	59.7	36%	0.355	30%	0.295	S	S	.	.	H	α-helix	trans	-58.1	-38.7	173.6	-72.5	179.1	-152.8	0	0	111.5	Q52 L59 Y60 L85	Q52-E56 WeakPolarHBondContact O-CG 3.41Å; Q52-E56 PolarHBondContact O-N 3.14Å; E56-L59 WeakPolarHBondContact O-CB 3.4Å; E56-L59 PolarHBondContact O-N 3.39Å; E56-Y60 WeakPolarHBondContact O-CD2 3.45Å; E56-Y60 PolarHBondContact O-N 2.65Å; E56-L85 HydrophobicContact CB-CD1 3.78Å; E56-L85 HydrophobicContact CB-CD2 4.33Å; E56-L85 VanDerWaalsContact OE2-CD2 3.3Å; E56-L85 WeakPolarHBondContact OE2-CD2 3.36Å
57	T	97.1	Very high	94.2	Very high	1 Å²	1	55.7 Å²	55.7	1%	0.006	29%	0.285	C	S	.	.	H	α-helix	trans	-66.7	-41.3	176.8	-50.1	0	0	0	0	111.1	L53 L54 E55 L59 Y60 D61 R82 L85 L86 Y114	L53-T57 WeakPolarHBondContact O-CB 3.45Å; L53-T57 PolarHBondContact O-N 3.19Å; L53-T57 PolarHBondContact O-OG1 3.31Å; L54-T57 PolarHBondContact O-N 3.35Å; E55-T57 PolarHBondContact O-N 2.95Å; T57-L59 VanDerWaalsContact C-N 3.28Å; T57-L59 PolarHBondContact O-N 3.49Å; T57-Y60 PolarHBondContact O-N 2.94Å; T57-D61 PolarHBondContact O-N 3.43Å; T57-D61 VanDerWaalsContact O-N 3.12Å; T57-R82 HydrophobicContact CG2-CB 4.23Å; T57-R82 HydrophobicContact CG2-CG 3.65Å; T57-L85 WeakPolarHBondContact OG1-CB 3.3Å; T57-L86 HydrophobicContact CG2-CD1 4.46Å; T57-L86 HydrophobicContact CG2-CD2 3.96Å; T57-L86 HydrophobicContact CG2-CG 4.04Å; T57-Y114 HydrophobicContact CG2-CE1 4.29Å; T57-Y114 HydrophobicContact CG2-CE2 3.9Å; T57-Y114 VanDerWaalsContact CG2-CZ 3.48Å; T57-Y114 WeakPolarHBondContact CG2-OH 3.03Å
58	T	95.9	Very high	93.6	Very high	29 Å²	29	56.3 Å²	56.3	18%	0.178	28%	0.284	C	S	.	.	H	α-helix	trans	-62.8	-34.4	176.2	-55.2	0	0	0	0	111.8	L54 E55 D61 K62 Y114	L54-T58 PolarHBondContact O-N 2.69Å; L54-T58 PolarHBondContact O-OG1 3.4Å; E55-T58 WeakPolarHBondContact O-CB 3.48Å; E55-T58 PolarHBondContact O-N 3.47Å; E55-T58 VanDerWaalsContact O-N 3.09Å; T58-D61 PolarHBondContact O-N 2.93Å; T58-K62 WeakPolarHBondContact O-CG 3.41Å; T58-K62 PolarHBondContact O-N 2.96Å; T58-Y114 WeakPolarHBondContact OG1-CD2 3.4Å
59	L	94.4	Very high	92.8	Very high	98 Å²	98	55.4 Å²	55.4	51%	0.513	29%	0.286	S	S	.	.	H	α-helix	trans	-62.2	-42.5	175.4	-179.9	63.4	0	0	0	112	E55 E56 T57 K62 Q63	E55-L59 PolarHBondContact O-N 3.32Å; E56-L59 WeakPolarHBondContact O-CB 3.4Å; E56-L59 PolarHBondContact O-N 3.39Å; T57-L59 VanDerWaalsContact C-N 3.28Å; T57-L59 PolarHBondContact O-N 3.49Å; L59-K62 PolarHBondContact O-N 3.48Å; L59-Q63 WeakPolarHBondContact O-CG 3.5Å; L59-Q63 PolarHBondContact O-N 2.94Å; L59-Q63 VanDerWaalsContact O-N 3.14Å
60	Y	94.9	Very high	91.8	Very high	49 Å²	49	60.6 Å²	60.6	19%	0.192	31%	0.308	C	S	.	.	H	α-helix	trans	-67.6	-35.9	175.5	-75.2	-63.6	0	0	0	112.5	E56 T57 Q63 E64 I78 K81 L85	E56-Y60 WeakPolarHBondContact O-CD2 3.45Å; E56-Y60 PolarHBondContact O-N 2.65Å; T57-Y60 PolarHBondContact O-N 2.94Å; Y60-Q63 PolarHBondContact O-N 2.97Å; Y60-E64 PolarHBondContact O-N 3.41Å; Y60-I78 HydrophobicContact CD1-CG2 4.4Å; Y60-K81 HydrophobicContact CD1-CB 4.31Å; Y60-K81 HydrophobicContact CD2-CB 4.15Å; Y60-K81 HydrophobicContact CE1-CB 3.99Å; Y60-K81 HydrophobicContact CE1-CG 4.14Å; Y60-K81 HydrophobicContact CE2-CB 3.84Å; Y60-K81 HydrophobicContact CG-CB 4.39Å; Y60-L85 HydrophobicContact CD2-CD1 3.84Å; Y60-L85 HydrophobicContact CE2-CD1 3.82Å
61	D	94.5	Very high	90.9	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.011	33%	0.329	C	S	.	.	H	α-helix	trans	-66.1	-37.8	174.2	-67.9	-33.5	0	0	0	112	T57 T58 Q63 E64 Y65 R82 Y114 R118	T57-D61 PolarHBondContact O-N 3.43Å; T57-D61 VanDerWaalsContact O-N 3.12Å; T58-D61 PolarHBondContact O-N 2.93Å; D61-Q63 VanDerWaalsContact C-N 3.32Å; D61-Q63 PolarHBondContact O-N 3.37Å; D61-E64 PolarHBondContact O-N 3.41Å; D61-E64 VanDerWaalsContact O-N 3.16Å; D61-Y65 HydrophobicContact CB-CD2 4.19Å; D61-Y65 HydrophobicContact CB-CE2 4.49Å; D61-Y65 WeakPolarHBondContact O-CB 3.19Å; D61-Y65 WeakPolarHBondContact O-CD2 3.38Å; D61-Y65 PolarHBondContact O-N 2.94Å; D61-R82 VanDerWaalsContact OD1-CD 3.26Å; D61-R82 WeakPolarHBondContact OD1-CD 3.41Å; D61-R82 IonicContact OD1-CZ 3.12Å; D61-R82 IonicContact OD1-NE 2.67Å; D61-R82 IonicContact OD1-NH1 2.8Å; D61-R82 PolarHBondContact OD1-NH1 3.24Å; D61-Y114 WeakPolarHBondContact OD2-CE2 3.45Å; D61-Y114 PolarHBondContact OD2-OH 3.3Å; D61-R118 IonicContact OD1-NE 3.5Å; D61-R118 PolarHBondContact OD1-NE 3.25Å
62	K	92.6	Very high	90	Very high	114 Å²	114	67.2 Å²	67.2	50%	0.496	35%	0.346	S	S	.	.	H	α-helix	trans	-60.8	-41	172.1	-72.2	174.1	178.1	-178.9	0	111.8	T58 L59 E64 D66 M121	T58-K62 WeakPolarHBondContact O-CG 3.41Å; T58-K62 PolarHBondContact O-N 2.96Å; L59-K62 PolarHBondContact O-N 3.48Å; K62-E64 PolarHBondContact O-N 2.94Å; K62-D66 WeakPolarHBondContact O-CB 3.48Å; K62-D66 PolarHBondContact O-N 3.5Å; K62-M121 HydrophobicContact CB-CE 4.26Å; K62-M121 HydrophobicContact CG-CE 3.8Å; K62-M121 HydrophobicContact CG-SD 4.12Å
63	Q	91.6	Very high	89.4	Confident	49 Å²	49	65.7 Å²	65.7	23%	0.229	34%	0.34	C	S	.	.	H	α-helix	trans	-65.8	-24.9	176.2	-69.3	177	-9.4	0	0	113.6	L59 Y60 D61 A71 I78	L59-Q63 WeakPolarHBondContact O-CG 3.5Å; L59-Q63 PolarHBondContact O-N 2.94Å; L59-Q63 VanDerWaalsContact O-N 3.14Å; Y60-Q63 PolarHBondContact O-N 2.97Å; D61-Q63 VanDerWaalsContact C-N 3.32Å; D61-Q63 PolarHBondContact O-N 3.37Å; Q63-A71 VanDerWaalsContact O-CB 3.29Å; Q63-A71 WeakPolarHBondContact O-CB 3.34Å; Q63-I78 HydrophobicContact CB-CD1 4.31Å
64	E	90.1	Very high	89	Confident	27 Å²	27	68.5 Å²	68.5	13%	0.126	36%	0.361	C	S	.	.	H	α-helix	trans	-90.1	-38.5	179.5	-167.9	174.2	-161.8	0	0	112.6	Y60 D61 K62 I78 R82	Y60-E64 PolarHBondContact O-N 3.41Å; D61-E64 PolarHBondContact O-N 3.41Å; D61-E64 VanDerWaalsContact O-N 3.16Å; K62-E64 PolarHBondContact O-N 2.94Å; E64-I78 HydrophobicContact CB-CG2 4.27Å; E64-R82 IonicContact OE1-NH2 3.23Å; E64-R82 PolarHBondContact OE1-NH2 3.38Å; E64-R82 IonicContact OE2-CZ 3.4Å; E64-R82 IonicContact OE2-NH1 2.77Å; E64-R82 PolarHBondContact OE2-NH1 3.02Å; E64-R82 IonicContact OE2-NH2 3.87Å; E64-R82 PolarHBondContact OE2-NH2 2.79Å
65	Y	91	Very high	88.7	Confident	22 Å²	22	73.8 Å²	73.8	9%	0.086	39%	0.385	C	S	.	.	H	α-helix	trans	-113.2	7.8	-169.8	-57.1	-56.4	0	0	0	114.8	D61 P67 R118 M121 M122 Y125	D61-Y65 HydrophobicContact CB-CD2 4.19Å; D61-Y65 HydrophobicContact CB-CE2 4.49Å; D61-Y65 WeakPolarHBondContact O-CB 3.19Å; D61-Y65 WeakPolarHBondContact O-CD2 3.38Å; D61-Y65 PolarHBondContact O-N 2.94Å; Y65-P67 WeakPolarHBondContact O-CD 3.48Å; Y65-R118 HydrophobicContact CE2-CG 4.25Å; Y65-R118 PolarHBondContact OH-NH2 2.93Å; Y65-M121 HydrophobicContact CD2-CB 4.38Å; Y65-M122 HydrophobicContact CD1-CB 4.23Å; Y65-M122 HydrophobicContact CD1-CG 4.39Å; Y65-M122 HydrophobicContact CE1-CB 4Å; Y65-M122 HydrophobicContact CE1-CG 3.82Å; Y65-M122 HydrophobicContact CE2-CB 4.29Å; Y65-M122 HydrophobicContact CG-CB 4.5Å; Y65-Y125 HydrophobicContact CD1-CD1 4.01Å; Y65-Y125 HydrophobicContact CD1-CG 4.09Å
66	D	87.3	Confident	88.5	Confident	54 Å²	54	76.9 Å²	76.9	29%	0.289	39%	0.391	S	S	.	.			trans	-83.6	113.5	169.6	-170.7	-19.9	0	0	0	109.7	K62 S68 V69	K62-D66 WeakPolarHBondContact O-CB 3.48Å; K62-D66 PolarHBondContact O-N 3.5Å; D66-S68 VanDerWaalsContact CG-OG 3.31Å; D66-S68 PolarHBondContact O-N 3.26Å; D66-S68 WeakPolarHBondContact OD1-CB 3.41Å; D66-S68 PolarHBondContact OD1-N 3.22Å; D66-S68 PolarHBondContact OD1-OG 3.38Å; D66-S68 PolarHBondContact OD2-OG 3.12Å; D66-V69 HydrophobicContact CB-CB 4.29Å; D66-V69 HydrophobicContact CB-CG2 4.45Å; D66-V69 PolarHBondContact O-N 3.04Å; D66-V69 WeakPolarHBondContact OD2-CG2 3.43Å
67	P	82.5	Confident	88.4	Confident	44 Å²	44	75.7 Å²	75.7	29%	0.286	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.1	179.8	28.5	-34.9	0	0	0	113.3	Y65 Y124 V128	Y65-P67 WeakPolarHBondContact O-CD 3.48Å; P67-Y124 HydrophobicContact CG-CD1 4.44Å; P67-Y124 HydrophobicContact CG-CE1 3.7Å; P67-V128 HydrophobicContact CB-CB 4.17Å; P67-V128 HydrophobicContact CB-CG1 3.61Å; P67-V128 HydrophobicContact CG-CB 4.42Å; P67-V128 HydrophobicContact CG-CG1 4.14Å; P67-V128 HydrophobicContact CG-CG2 4.27Å
68	S	82.4	Confident	88.3	Confident	99 Å²	99	75.7 Å²	75.7	69%	0.692	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-26.2	-179.1	72.5	0	0	0	0	113.3	D66	D66-S68 VanDerWaalsContact CG-OG 3.31Å; D66-S68 PolarHBondContact O-N 3.26Å; D66-S68 WeakPolarHBondContact OD1-CB 3.41Å; D66-S68 PolarHBondContact OD1-N 3.22Å; D66-S68 PolarHBondContact OD1-OG 3.38Å; D66-S68 PolarHBondContact OD2-OG 3.12Å
69	V	79.5	Confident	88.2	Confident	70 Å²	70	77.6 Å²	77.6	42%	0.424	40%	0.395	S	S	.	.	S	Bend	trans	-104.6	120.3	-174.8	-179.1	0	0	0	0	109.4	D66 A71	D66-V69 HydrophobicContact CB-CB 4.29Å; D66-V69 HydrophobicContact CB-CG2 4.45Å; D66-V69 PolarHBondContact O-N 3.04Å; D66-V69 WeakPolarHBondContact OD2-CG2 3.43Å; V69-A71 PolarHBondContact O-N 3.31Å
70	Q	75.7	Confident	88.3	Confident	182 Å²	182	76.2 Å²	76.2	85%	0.85	39%	0.386	S	S	*	.			trans	-66.4	119.2	166.8	-68.5	-175.7	-10.4	0	0	108.9	Q72	Q70-Q72 PolarHBondContact O-N 2.52Å
71	A	76.9	Confident	88.4	Confident	54 Å²	54	78.6 Å²	78.6	45%	0.446	40%	0.397	S	S	.	.			trans	-50.9	115.7	178.4	0	0	0	0	0	110.6	Q63 V69 L73 I78	Q63-A71 VanDerWaalsContact O-CB 3.29Å; Q63-A71 WeakPolarHBondContact O-CB 3.34Å; V69-A71 PolarHBondContact O-N 3.31Å; A71-L73 PolarHBondContact O-N 2.97Å; A71-I78 HydrophobicContact CB-CD1 4.28Å
72	Q	78.1	Confident	88.5	Confident	175 Å²	175	79.5 Å²	79.5	82%	0.818	40%	0.401	S	S	*	.	S	Bend	trans	-67.8	-22.9	-178.6	-67.3	-177.2	-25.9	0	0	112.7	Q70	Q70-Q72 PolarHBondContact O-N 2.52Å
73	L	83.4	Confident	88.7	Confident	70 Å²	70	80.7 Å²	80.7	37%	0.366	40%	0.402	S	S	.	.	S	Bend	trans	-120.7	147.1	-173.7	-158.9	66	0	0	0	109.5	A71 V77 I78	A71-L73 PolarHBondContact O-N 2.97Å; L73-V77 HydrophobicContact CD1-CG1 4.26Å; L73-V77 HydrophobicContact CD2-CB 3.91Å; L73-V77 HydrophobicContact CD2-CG1 3.36Å; L73-V77 HydrophobicContact CG-CB 3.9Å; L73-V77 HydrophobicContact CG-CG1 3.81Å; L73-I78 HydrophobicContact CB-CD1 4.23Å; L73-I78 HydrophobicContact CB-CG1 3.97Å; L73-I78 HydrophobicContact CD2-CG1 4.26Å; L73-I78 HydrophobicContact CG-CG1 4.44Å; L73-I78 WeakPolarHBondContact O-CD1 3.39Å
74	S	89.9	Confident	89	Confident	69 Å²	69	83.3 Å²	83.3	48%	0.483	41%	0.413	S	S	.	.			trans	-59.8	142.3	178.8	67.5	0	0	0	0	111.2	R76 V77 I78	S74-R76 PolarHBondContact O-N 2.95Å; S74-R76 VanDerWaalsContact O-N 3.09Å; S74-V77 PolarHBondContact O-N 3.4Å; S74-V77 WeakPolarHBondContact OG-CG2 3.45Å; S74-I78 PolarHBondContact O-N 2.8Å; S74-I78 VanDerWaalsContact O-N 3.15Å
75	E	90.3	Very high	89.4	Confident	123 Å²	123	83 Å²	83	58%	0.575	41%	0.412	S	S	*	.	H	α-helix	trans	-47.7	-42.3	179.2	-165.9	-167.6	148.9	0	0	112.6	V77 I78 Q79	E75-V77 PolarHBondContact O-N 3.25Å; E75-I78 PolarHBondContact O-N 3.37Å; E75-Q79 WeakPolarHBondContact O-CB 3.03Å; E75-Q79 VanDerWaalsContact O-CG 3.26Å; E75-Q79 WeakPolarHBondContact O-CG 3.46Å; E75-Q79 PolarHBondContact O-N 3.35Å; E75-Q79 PolarHBondContact OE1-NE2 3.15Å
76	R	93.1	Very high	89.7	Confident	208 Å²	208	83.1 Å²	83.1	79%	0.785	41%	0.414	S	S	*	.	H	α-helix	trans	-61.2	-39.8	178.5	-71	-165.7	174.7	-167.2	-0.3	113.8	S74 E80	S74-R76 PolarHBondContact O-N 2.95Å; S74-R76 VanDerWaalsContact O-N 3.09Å; R76-E80 WeakPolarHBondContact O-CB 3.4Å; R76-E80 PolarHBondContact O-N 3.49Å
77	V	95.4	Very high	90.2	Very high	50 Å²	50	84.7 Å²	84.7	30%	0.303	42%	0.42	S	S	.	.	H	α-helix	trans	-74.4	-38.3	-179.2	179	0	0	0	0	110.2	L73 S74 E75 E80 K81	L73-V77 HydrophobicContact CD1-CG1 4.26Å; L73-V77 HydrophobicContact CD2-CB 3.91Å; L73-V77 HydrophobicContact CD2-CG1 3.36Å; L73-V77 HydrophobicContact CG-CB 3.9Å; L73-V77 HydrophobicContact CG-CG1 3.81Å; S74-V77 PolarHBondContact O-N 3.4Å; S74-V77 WeakPolarHBondContact OG-CG2 3.45Å; E75-V77 PolarHBondContact O-N 3.25Å; V77-E80 PolarHBondContact O-N 3.45Å; V77-K81 HydrophobicContact CG1-CG 4.34Å; V77-K81 WeakPolarHBondContact O-CB 3.44Å; V77-K81 VanDerWaalsContact O-CG 3.26Å; V77-K81 WeakPolarHBondContact O-CG 3.46Å; V77-K81 PolarHBondContact O-N 3.09Å
78	I	94	Very high	90.9	Very high	1 Å²	1	83.8 Å²	83.8	1%	0.005	41%	0.413	C	S	.	.	H	α-helix	trans	-59.2	-48.9	173	-65.1	175.6	0	0	0	109.8	Y60 Q63 E64 A71 L73 S74 E75 E80 K81 R82	Y60-I78 HydrophobicContact CD1-CG2 4.4Å; Q63-I78 HydrophobicContact CB-CD1 4.31Å; E64-I78 HydrophobicContact CB-CG2 4.27Å; A71-I78 HydrophobicContact CB-CD1 4.28Å; L73-I78 HydrophobicContact CB-CD1 4.23Å; L73-I78 HydrophobicContact CB-CG1 3.97Å; L73-I78 HydrophobicContact CD2-CG1 4.26Å; L73-I78 HydrophobicContact CG-CG1 4.44Å; L73-I78 WeakPolarHBondContact O-CD1 3.39Å; S74-I78 PolarHBondContact O-N 2.8Å; S74-I78 VanDerWaalsContact O-N 3.15Å; E75-I78 PolarHBondContact O-N 3.37Å; I78-E80 PolarHBondContact O-N 3.36Å; I78-K81 PolarHBondContact O-N 3.46Å; I78-R82 WeakPolarHBondContact O-CB 3.3Å; I78-R82 PolarHBondContact O-N 3.4Å
79	Q	94.8	Very high	91.6	Very high	70 Å²	70	79.2 Å²	79.2	33%	0.327	38%	0.381	S	S	.	.	H	α-helix	trans	-58.3	-43.9	176.1	-74.3	170.7	6.5	0	0	112.7	E75 R83	E75-Q79 WeakPolarHBondContact O-CB 3.03Å; E75-Q79 VanDerWaalsContact O-CG 3.26Å; E75-Q79 WeakPolarHBondContact O-CG 3.46Å; E75-Q79 PolarHBondContact O-N 3.35Å; E75-Q79 PolarHBondContact OE1-NE2 3.15Å; Q79-R83 WeakPolarHBondContact O-CB 3.39Å; Q79-R83 PolarHBondContact O-N 3.01Å
80	E	96.4	Very high	92.4	Very high	69 Å²	69	79.1 Å²	79.1	32%	0.322	38%	0.378	S	S	.	.	H	α-helix	trans	-66.9	-40.3	177.8	175.7	166.7	-167.3	0	0	112.7	R76 V77 I78 R83 K84	R76-E80 WeakPolarHBondContact O-CB 3.4Å; R76-E80 PolarHBondContact O-N 3.49Å; V77-E80 PolarHBondContact O-N 3.45Å; I78-E80 PolarHBondContact O-N 3.36Å; E80-R83 PolarHBondContact O-N 3.25Å; E80-R83 IonicContact OE1-NH2 3.95Å; E80-K84 HydrophobicContact CG-CD 4.28Å; E80-K84 WeakPolarHBondContact O-CG 3.45Å; E80-K84 PolarHBondContact O-N 2.94Å; E80-K84 WeakPolarHBondContact OE1-CE 3.37Å; E80-K84 IonicContact OE1-NZ 3.7Å; E80-K84 PolarHBondContact OE1-NZ 3.41Å
81	K	97	Very high	93.4	Very high	98 Å²	98	76.8 Å²	76.8	43%	0.426	36%	0.361	S	S	.	.	H	α-helix	trans	-63	-49	176	-73.9	-76.3	-175.2	165.8	0	111.1	Y60 V77 I78 R83 K84 L85	Y60-K81 HydrophobicContact CD1-CB 4.31Å; Y60-K81 HydrophobicContact CD2-CB 4.15Å; Y60-K81 HydrophobicContact CE1-CB 3.99Å; Y60-K81 HydrophobicContact CE1-CG 4.14Å; Y60-K81 HydrophobicContact CE2-CB 3.84Å; Y60-K81 HydrophobicContact CG-CB 4.39Å; V77-K81 HydrophobicContact CG1-CG 4.34Å; V77-K81 WeakPolarHBondContact O-CB 3.44Å; V77-K81 VanDerWaalsContact O-CG 3.26Å; V77-K81 WeakPolarHBondContact O-CG 3.46Å; V77-K81 PolarHBondContact O-N 3.09Å; I78-K81 PolarHBondContact O-N 3.46Å; K81-R83 PolarHBondContact O-N 2.93Å; K81-K84 PolarHBondContact O-N 3.42Å; K81-L85 WeakPolarHBondContact O-CG 3.45Å; K81-L85 PolarHBondContact O-N 3.1Å; K81-L85 VanDerWaalsContact O-N 3.08Å
82	R	96.3	Very high	94.3	Very high	21 Å²	21	74.2 Å²	74.2	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-54.7	-49.4	172.9	170.2	168.8	62.7	-158	-8.2	111.6	T57 D61 E64 I78 K84 L85 L86 R118	T57-R82 HydrophobicContact CG2-CB 4.23Å; T57-R82 HydrophobicContact CG2-CG 3.65Å; D61-R82 VanDerWaalsContact OD1-CD 3.26Å; D61-R82 WeakPolarHBondContact OD1-CD 3.41Å; D61-R82 IonicContact OD1-CZ 3.12Å; D61-R82 IonicContact OD1-NE 2.67Å; D61-R82 IonicContact OD1-NH1 2.8Å; D61-R82 PolarHBondContact OD1-NH1 3.24Å; E64-R82 IonicContact OE1-NH2 3.23Å; E64-R82 PolarHBondContact OE1-NH2 3.38Å; E64-R82 IonicContact OE2-CZ 3.4Å; E64-R82 IonicContact OE2-NH1 2.77Å; E64-R82 PolarHBondContact OE2-NH1 3.02Å; E64-R82 IonicContact OE2-NH2 3.87Å; E64-R82 PolarHBondContact OE2-NH2 2.79Å; I78-R82 WeakPolarHBondContact O-CB 3.3Å; I78-R82 PolarHBondContact O-N 3.4Å; R82-K84 VanDerWaalsContact C-N 3.34Å; R82-K84 PolarHBondContact O-N 2.99Å; R82-L85 PolarHBondContact O-N 3.18Å; R82-L86 HydrophobicContact CG-CD1 3.93Å; R82-L86 HydrophobicContact CG-CG 4.43Å; R82-L86 WeakPolarHBondContact O-CG 3.47Å; R82-L86 PolarHBondContact O-N 2.88Å; R82-R118 VanDerWaalsContact CZ-NH2 3.26Å
83	R	97.4	Very high	95.2	Very high	139 Å²	139	66.7 Å²	66.7	53%	0.525	31%	0.306	S	S	.	.	H	α-helix	trans	-56.7	-45.2	178.6	-174.8	179.9	68.8	-118.2	3.4	112.3	Q79 E80 K81 L86 E87	Q79-R83 WeakPolarHBondContact O-CB 3.39Å; Q79-R83 PolarHBondContact O-N 3.01Å; E80-R83 PolarHBondContact O-N 3.25Å; E80-R83 IonicContact OE1-NH2 3.95Å; K81-R83 PolarHBondContact O-N 2.93Å; R83-L86 PolarHBondContact O-N 3.48Å; R83-E87 WeakPolarHBondContact O-CB 3.35Å; R83-E87 PolarHBondContact O-N 3.44Å
84	K	97.6	Very high	95.7	Very high	105 Å²	105	67.9 Å²	67.9	46%	0.457	31%	0.312	S	S	.	.	H	α-helix	trans	-67.1	-36	-179.7	-74.5	176.9	-177.4	167.5	0	113	E80 K81 R82 T88	E80-K84 HydrophobicContact CG-CD 4.28Å; E80-K84 WeakPolarHBondContact O-CG 3.45Å; E80-K84 PolarHBondContact O-N 2.94Å; E80-K84 WeakPolarHBondContact OE1-CE 3.37Å; E80-K84 IonicContact OE1-NZ 3.7Å; E80-K84 PolarHBondContact OE1-NZ 3.41Å; K81-K84 PolarHBondContact O-N 3.42Å; R82-K84 VanDerWaalsContact C-N 3.34Å; R82-K84 PolarHBondContact O-N 2.99Å; K84-T88 PolarHBondContact O-N 3.35Å; K84-T88 VanDerWaalsContact O-N 3.14Å; K84-T88 PolarHBondContact O-OG1 3.35Å
85	L	97.7	Very high	95.9	Very high	20 Å²	20	65.4 Å²	65.4	11%	0.105	29%	0.293	C	S	.	.	H	α-helix	trans	-67	-48.9	175.4	-71.4	170.6	0	0	0	110.9	L53 E56 T57 Y60 K81 R82 E87 T88 F89	L53-L85 HydrophobicContact CD2-CD2 3.67Å; E56-L85 HydrophobicContact CB-CD1 3.78Å; E56-L85 HydrophobicContact CB-CD2 4.33Å; E56-L85 VanDerWaalsContact OE2-CD2 3.3Å; E56-L85 WeakPolarHBondContact OE2-CD2 3.36Å; T57-L85 WeakPolarHBondContact OG1-CB 3.3Å; Y60-L85 HydrophobicContact CD2-CD1 3.84Å; Y60-L85 HydrophobicContact CE2-CD1 3.82Å; K81-L85 WeakPolarHBondContact O-CG 3.45Å; K81-L85 PolarHBondContact O-N 3.1Å; K81-L85 VanDerWaalsContact O-N 3.08Å; R82-L85 PolarHBondContact O-N 3.18Å; L85-E87 PolarHBondContact O-N 3.08Å; L85-T88 WeakPolarHBondContact O-CB 3.37Å; L85-T88 PolarHBondContact O-N 3.25Å; L85-T88 VanDerWaalsContact O-N 3.14Å; L85-F89 PolarHBondContact O-N 2.84Å
86	L	97.3	Very high	96.2	Very high	25 Å²	25	61 Å²	61	13%	0.131	27%	0.271	C	S	.	.	H	α-helix	trans	-63.3	-38.9	178.1	-65.6	179.4	0	0	0	112.3	T57 R82 R83 T88 F89 D90 Y114	T57-L86 HydrophobicContact CG2-CD1 4.46Å; T57-L86 HydrophobicContact CG2-CD2 3.96Å; T57-L86 HydrophobicContact CG2-CG 4.04Å; R82-L86 HydrophobicContact CG-CD1 3.93Å; R82-L86 HydrophobicContact CG-CG 4.43Å; R82-L86 WeakPolarHBondContact O-CG 3.47Å; R82-L86 PolarHBondContact O-N 2.88Å; R83-L86 PolarHBondContact O-N 3.48Å; L86-T88 VanDerWaalsContact C-N 3.32Å; L86-T88 PolarHBondContact O-N 2.98Å; L86-F89 WeakPolarHBondContact O-CB 3.36Å; L86-F89 PolarHBondContact O-N 3.18Å; L86-D90 PolarHBondContact O-N 3.24Å; L86-Y114 HydrophobicContact CD1-CE1 4.44Å; L86-Y114 HydrophobicContact CD2-CE1 4Å
87	E	97.5	Very high	96.3	Very high	87 Å²	87	59.7 Å²	59.7	41%	0.407	27%	0.266	S	S	.	.	H	α-helix	trans	-64.3	-37.7	174.8	-171.5	-174.2	175.3	0	0	112	R83 L85 F89 D90 R91	R83-E87 WeakPolarHBondContact O-CB 3.35Å; R83-E87 PolarHBondContact O-N 3.44Å; L85-E87 PolarHBondContact O-N 3.08Å; E87-F89 VanDerWaalsContact C-N 3.35Å; E87-D90 PolarHBondContact O-N 3.34Å; E87-R91 VanDerWaalsContact O-CG 3.27Å; E87-R91 WeakPolarHBondContact O-CG 3.48Å; E87-R91 PolarHBondContact O-N 3.31Å; E87-R91 VanDerWaalsContact O-N 3.14Å; E87-R91 IonicContact OE1-CZ 3.29Å; E87-R91 IonicContact OE1-NE 2.76Å; E87-R91 IonicContact OE1-NH2 3.82Å; E87-R91 PolarHBondContact OE1-NH2 2.93Å
88	T	97.3	Very high	96.2	Very high	25 Å²	25	65.3 Å²	65.3	15%	0.153	29%	0.287	C	S	.	.	H	α-helix	trans	-66.1	-40.9	174.6	-57.6	0	0	0	0	110.8	L45 K48 L53 K84 L85 L86 R91 L92	L45-T88 HydrophobicContact CD1-CG2 4.08Å; K48-T88 HydrophobicContact CD-CG2 3.76Å; L53-T88 HydrophobicContact CD1-CG2 3.75Å; L53-T88 HydrophobicContact CD2-CG2 4.47Å; K84-T88 PolarHBondContact O-N 3.35Å; K84-T88 VanDerWaalsContact O-N 3.14Å; K84-T88 PolarHBondContact O-OG1 3.35Å; L85-T88 WeakPolarHBondContact O-CB 3.37Å; L85-T88 PolarHBondContact O-N 3.25Å; L85-T88 VanDerWaalsContact O-N 3.14Å; L86-T88 VanDerWaalsContact C-N 3.32Å; L86-T88 PolarHBondContact O-N 2.98Å; T88-R91 PolarHBondContact O-N 2.99Å; T88-L92 PolarHBondContact O-N 3.09Å; T88-L92 VanDerWaalsContact O-N 3.12Å
89	F	97.8	Very high	96.2	Very high	2 Å²	2	68.9 Å²	68.9	1%	0.009	30%	0.304	C	S	.	.	H	α-helix	trans	-60.7	-47.7	174.8	-177.1	-84.5	0	0	0	111.7	P50 L53 L85 L86 E87 R91 L92 V93 L107 R111	P50-F89 HydrophobicContact CB-CD2 4.05Å; P50-F89 HydrophobicContact CB-CE2 3.93Å; P50-F89 VanDerWaalsContact O-CD2 3.3Å; P50-F89 WeakPolarHBondContact O-CD2 3.32Å; P50-F89 WeakPolarHBondContact O-CE2 3.35Å; L53-F89 HydrophobicContact CD1-CB 4.39Å; L85-F89 PolarHBondContact O-N 2.84Å; L86-F89 WeakPolarHBondContact O-CB 3.36Å; L86-F89 PolarHBondContact O-N 3.18Å; E87-F89 VanDerWaalsContact C-N 3.35Å; F89-R91 VanDerWaalsContact C-N 3.29Å; F89-R91 PolarHBondContact O-N 3.33Å; F89-L92 WeakPolarHBondContact O-CA 3.45Å; F89-L92 WeakPolarHBondContact O-CB 3.27Å; F89-L92 PolarHBondContact O-N 3.05Å; F89-V93 HydrophobicContact CD1-CG2 3.83Å; F89-V93 HydrophobicContact CE1-CG2 3.44Å; F89-V93 VanDerWaalsContact CE1-CG2 3.44Å; F89-V93 HydrophobicContact CZ-CG2 4.08Å; F89-V93 WeakPolarHBondContact O-CG2 3.35Å; F89-V93 PolarHBondContact O-N 3.08Å; F89-L107 HydrophobicContact CZ-CB 4.02Å; F89-L107 WeakPolarHBondContact CZ-O 3.43Å; F89-R111 HydrophobicContact CE1-CB 3.73Å; F89-R111 HydrophobicContact CE1-CG 4.18Å; F89-R111 HydrophobicContact CZ-CB 4.03Å
90	D	96.6	Very high	96.1	Very high	68 Å²	68	69.4 Å²	69.4	36%	0.364	31%	0.308	S	S	.	.	H	α-helix	trans	-61.9	-38	-179.9	-64.7	-19.4	0	0	0	111.5	L86 E87 L92 V93 I94 R111	L86-D90 PolarHBondContact O-N 3.24Å; E87-D90 PolarHBondContact O-N 3.34Å; D90-L92 VanDerWaalsContact C-N 3.33Å; D90-L92 PolarHBondContact O-N 3.22Å; D90-V93 PolarHBondContact O-N 2.99Å; D90-I94 WeakPolarHBondContact O-CG1 3.5Å; D90-I94 PolarHBondContact O-N 2.64Å; D90-R111 IonicContact OD1-CZ 2.69Å; D90-R111 IonicContact OD1-NH1 3.6Å; D90-R111 PolarHBondContact OD1-NH1 3.07Å; D90-R111 IonicContact OD2-NH1 3.56Å
91	R	96.4	Very high	96.1	Very high	133 Å²	133	68.7 Å²	68.7	50%	0.502	32%	0.315	S	S	.	.	H	α-helix	trans	-63.9	-36.3	173.2	-68.6	171.9	-171.9	-170.9	4.3	112.4	L45 E87 T88 F89 L95	L45-R91 HydrophobicContact CD1-CB 4.5Å; L45-R91 HydrophobicContact CD2-CB 4.02Å; E87-R91 VanDerWaalsContact O-CG 3.27Å; E87-R91 WeakPolarHBondContact O-CG 3.48Å; E87-R91 PolarHBondContact O-N 3.31Å; E87-R91 VanDerWaalsContact O-N 3.14Å; E87-R91 IonicContact OE1-CZ 3.29Å; E87-R91 IonicContact OE1-NE 2.76Å; E87-R91 IonicContact OE1-NH2 3.82Å; E87-R91 PolarHBondContact OE1-NH2 2.93Å; T88-R91 PolarHBondContact O-N 2.99Å; F89-R91 VanDerWaalsContact C-N 3.29Å; F89-R91 PolarHBondContact O-N 3.33Å; R91-L95 PolarHBondContact O-N 2.97Å; R91-L95 VanDerWaalsContact O-N 3.11Å
92	L	96.2	Very high	96	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-68.3	-42.2	173.8	-78.2	167.9	0	0	0	111.9	L45 K48 P50 L53 T88 F89 D90 I94 L95 Y96	L45-L92 HydrophobicContact CD1-CD2 4.11Å; L45-L92 HydrophobicContact CD1-CG 3.99Å; L45-L92 HydrophobicContact CG-CD2 3.85Å; L45-L92 HydrophobicContact CG-CG 4.21Å; L45-L92 WeakPolarHBondContact O-CD2 3.49Å; K48-L92 HydrophobicContact CB-CD1 4.26Å; P50-L92 HydrophobicContact CB-CD1 4.04Å; L53-L92 HydrophobicContact CD1-CD1 3.59Å; T88-L92 PolarHBondContact O-N 3.09Å; T88-L92 VanDerWaalsContact O-N 3.12Å; F89-L92 WeakPolarHBondContact O-CA 3.45Å; F89-L92 WeakPolarHBondContact O-CB 3.27Å; F89-L92 PolarHBondContact O-N 3.05Å; D90-L92 VanDerWaalsContact C-N 3.33Å; D90-L92 PolarHBondContact O-N 3.22Å; L92-I94 VanDerWaalsContact C-N 3.3Å; L92-I94 PolarHBondContact O-N 2.87Å; L92-L95 HydrophobicContact CD2-CD2 4.26Å; L92-L95 WeakPolarHBondContact O-CA 3.43Å; L92-L95 WeakPolarHBondContact O-CB 3.38Å; L92-L95 PolarHBondContact O-N 3.21Å; L92-Y96 HydrophobicContact CB-CD2 4.4Å; L92-Y96 HydrophobicContact CB-CE2 4.36Å; L92-Y96 HydrophobicContact CD2-CE2 4Å; L92-Y96 WeakPolarHBondContact O-CD2 3.46Å; L92-Y96 PolarHBondContact O-N 3.27Å
93	V	95.9	Very high	96	Very high	18 Å²	18	72.9 Å²	72.9	11%	0.109	33%	0.334	C	S	.	.	H	α-helix	trans	-58.8	-43.9	175.7	175.7	0	0	0	0	110.7	F89 D90 L95 Y96 R97 L107	F89-V93 HydrophobicContact CD1-CG2 3.83Å; F89-V93 HydrophobicContact CE1-CG2 3.44Å; F89-V93 VanDerWaalsContact CE1-CG2 3.44Å; F89-V93 HydrophobicContact CZ-CG2 4.08Å; F89-V93 WeakPolarHBondContact O-CG2 3.35Å; F89-V93 PolarHBondContact O-N 3.08Å; D90-V93 PolarHBondContact O-N 2.99Å; V93-L95 VanDerWaalsContact C-N 3.28Å; V93-L95 PolarHBondContact O-N 2.85Å; V93-Y96 PolarHBondContact O-N 2.8Å; V93-R97 WeakPolarHBondContact O-CB 3.23Å; V93-R97 PolarHBondContact O-N 2.9Å; V93-L107 HydrophobicContact CG2-CB 4.08Å; V93-L107 HydrophobicContact CG2-CD1 4.43Å
94	I	95.6	Very high	96	Very high	94 Å²	94	66.4 Å²	66.4	48%	0.482	31%	0.31	S	S	.	.	H	α-helix	trans	-63	-35.1	175.3	-65.3	166	0	0	0	111.7	D90 L92	D90-I94 WeakPolarHBondContact O-CG1 3.5Å; D90-I94 PolarHBondContact O-N 2.64Å; L92-I94 VanDerWaalsContact C-N 3.3Å; L92-I94 PolarHBondContact O-N 2.87Å
95	L	93.8	Very high	95.9	Very high	17 Å²	17	66.8 Å²	66.8	9%	0.089	32%	0.317	C	S	.	.	H	α-helix	trans	-62.4	-55.9	175.4	-155.4	76.9	0	0	0	110.8	Y42 L45 R46 R91 L92 V93 R97 K98 E99	Y42-L95 HydrophobicContact CD2-CD1 3.44Å; Y42-L95 VanDerWaalsContact CD2-CD1 3.44Å; Y42-L95 HydrophobicContact CD2-CG 4.48Å; Y42-L95 HydrophobicContact CE1-CD1 4.45Å; Y42-L95 HydrophobicContact CE1-CD2 4.43Å; Y42-L95 HydrophobicContact CE2-CD1 3.02Å; Y42-L95 HydrophobicContact CE2-CD2 4.35Å; Y42-L95 HydrophobicContact CE2-CG 3.78Å; Y42-L95 HydrophobicContact CG-CD1 4.32Å; L45-L95 HydrophobicContact CD2-CD1 4.34Å; R46-L95 HydrophobicContact CB-CD2 4Å; R46-L95 HydrophobicContact CG-CD2 4.48Å; R91-L95 PolarHBondContact O-N 2.97Å; R91-L95 VanDerWaalsContact O-N 3.11Å; L92-L95 HydrophobicContact CD2-CD2 4.26Å; L92-L95 WeakPolarHBondContact O-CA 3.43Å; L92-L95 WeakPolarHBondContact O-CB 3.38Å; L92-L95 PolarHBondContact O-N 3.21Å; V93-L95 VanDerWaalsContact C-N 3.28Å; V93-L95 PolarHBondContact O-N 2.85Å; L95-R97 VanDerWaalsContact C-N 3.31Å; L95-R97 PolarHBondContact O-N 3.4Å; L95-K98 WeakPolarHBondContact O-CB 3.42Å; L95-K98 PolarHBondContact O-N 3.43Å; L95-K98 VanDerWaalsContact O-N 3.1Å; L95-E99 PolarHBondContact O-N 2.64Å
96	Y	95.8	Very high	95.9	Very high	31 Å²	31	74.3 Å²	74.3	12%	0.122	34%	0.344	C	S	.	.	H	α-helix	trans	-69.3	-28.8	-176.8	-71.7	-63.8	0	0	0	111.9	P50 L92 V93 K98 E99 N100 Y103 L107	P50-Y96 HydrophobicContact CG-CE2 4.35Å; L92-Y96 HydrophobicContact CB-CD2 4.4Å; L92-Y96 HydrophobicContact CB-CE2 4.36Å; L92-Y96 HydrophobicContact CD2-CE2 4Å; L92-Y96 WeakPolarHBondContact O-CD2 3.46Å; L92-Y96 PolarHBondContact O-N 3.27Å; V93-Y96 PolarHBondContact O-N 2.8Å; Y96-K98 PolarHBondContact O-N 3Å; Y96-E99 PolarHBondContact O-N 3.4Å; Y96-E99 VanDerWaalsContact O-N 3.11Å; Y96-N100 CarbonylContact O-C 3.04Å; Y96-N100 WeakPolarHBondContact O-CA 3.41Å; Y96-N100 PolarHBondContact O-N 2.87Å; Y96-Y103 AromaticContact CD1-CD1 3.63Å; Y96-Y103 HydrophobicContact CD1-CD1 3.63Å; Y96-Y103 HydrophobicContact CD1-CE1 4Å; Y96-Y103 AromaticContact CD2-CD1 3.94Å; Y96-Y103 HydrophobicContact CD2-CD1 3.94Å; Y96-Y103 AromaticContact CD2-CE1 3.8Å; Y96-Y103 HydrophobicContact CD2-CE1 3.8Å; Y96-Y103 AromaticContact CE1-CD1 3.95Å; Y96-Y103 HydrophobicContact CE1-CD1 3.95Å; Y96-Y103 AromaticContact CE1-CE1 3.9Å; Y96-Y103 HydrophobicContact CE1-CE1 3.9Å; Y96-Y103 HydrophobicContact CE2-CD1 4.24Å; Y96-Y103 AromaticContact CE2-CE1 3.7Å; Y96-Y103 HydrophobicContact CE2-CE1 3.7Å; Y96-Y103 AromaticContact CG-CD1 3.63Å; Y96-Y103 HydrophobicContact CG-CD1 3.63Å; Y96-Y103 AromaticContact CG-CE1 3.96Å; Y96-Y103 HydrophobicContact CG-CE1 3.96Å; Y96-Y103 AromaticContact CZ-CE1 3.74Å; Y96-L107 HydrophobicContact CD2-CD1 3.68Å; Y96-L107 HydrophobicContact CE2-CD1 4.24Å; Y96-L107 HydrophobicContact CG-CD1 4.44Å
97	R	95.5	Very high	95.9	Very high	180 Å²	180	73.2 Å²	73.2	68%	0.679	34%	0.339	S	S	*	.	H	α-helix	trans	-57	-25.7	172.6	-162.9	179	78	169.3	4.7	112.7	V93 L95 A104	V93-R97 WeakPolarHBondContact O-CB 3.23Å; V93-R97 PolarHBondContact O-N 2.9Å; L95-R97 VanDerWaalsContact C-N 3.31Å; L95-R97 PolarHBondContact O-N 3.4Å; R97-A104 HydrophobicContact CB-CB 4.22Å
98	K	93.7	Very high	95.9	Very high	168 Å²	168	73.1 Å²	73.1	73%	0.73	34%	0.338	S	S	*	.	H	α-helix	trans	-89.2	-33.7	176.7	-61.3	177.4	-176.8	178.2	0	113.4	L95 Y96	L95-K98 WeakPolarHBondContact O-CB 3.42Å; L95-K98 PolarHBondContact O-N 3.43Å; L95-K98 VanDerWaalsContact O-N 3.1Å; Y96-K98 PolarHBondContact O-N 3Å
99	E	93.4	Very high	95.9	Very high	77 Å²	77	74 Å²	74	36%	0.36	35%	0.348	S	S	.	.	H	α-helix	trans	-91.8	-43.1	-177.5	-65.4	-168.7	152.8	0	0	113.4	Y42 R46 L95 Y96	Y42-E99 WeakPolarHBondContact CE1-OE1 3.48Å; Y42-E99 VanDerWaalsContact OH-CG 3.32Å; Y42-E99 WeakPolarHBondContact OH-CG 3.26Å; Y42-E99 PolarHBondContact OH-OE1 3.09Å; R46-E99 IonicContact CZ-OE1 3.83Å; R46-E99 IonicContact CZ-OE2 3.75Å; R46-E99 VanDerWaalsContact CZ-OE2 3.26Å; R46-E99 IonicContact NE-OE2 3.85Å; R46-E99 IonicContact NH1-OE1 2.64Å; R46-E99 PolarHBondContact NH1-OE1 3.34Å; R46-E99 IonicContact NH1-OE2 3.41Å; R46-E99 PolarHBondContact NH1-OE2 3.39Å; R46-E99 IonicContact NH2-OE2 2.89Å; L95-E99 PolarHBondContact O-N 2.64Å; Y96-E99 PolarHBondContact O-N 3.4Å; Y96-E99 VanDerWaalsContact O-N 3.11Å
100	N	93.4	Very high	95.8	Very high	80 Å²	80	74.9 Å²	74.9	43%	0.428	36%	0.356	S	S	.	.			trans	-150.7	97.4	-177.2	-175.6	-22.1	0	0	0	110.2	Y96 E102 Y103 A104	Y96-N100 CarbonylContact O-C 3.04Å; Y96-N100 WeakPolarHBondContact O-CA 3.41Å; Y96-N100 PolarHBondContact O-N 2.87Å; N100-E102 VanDerWaalsContact C-N 3.32Å; N100-E102 PolarHBondContact O-N 3.2Å; N100-E102 PolarHBondContact OD1-N 3.42Å; N100-E102 VanDerWaalsContact OD1-N 3.15Å; N100-Y103 PolarHBondContact O-N 2.91Å; N100-Y103 PolarHBondContact OD1-N 3.14Å; N100-A104 PolarHBondContact O-N 3.14Å; N100-A104 VanDerWaalsContact O-N 3.12Å
101	A	95.5	Very high	95.8	Very high	55 Å²	55	73.4 Å²	73.4	46%	0.455	35%	0.345	S	S	.	.	H	α-helix	trans	-63	-34.9	-178.3	0	0	0	0	0	113.2	A104 N105	A101-A104 PolarHBondContact O-N 3.44Å; A101-N105 VanDerWaalsContact O-CG 3.24Å; A101-N105 PolarHBondContact O-N 2.77Å; A101-N105 PolarHBondContact O-ND2 3.44Å
102	E	96.4	Very high	95.9	Very high	138 Å²	138	72 Å²	72	65%	0.645	34%	0.344	S	S	*	.	H	α-helix	trans	-66.1	-44.2	178.9	-64.4	-167.9	165.1	0	0	111.9	N100 A104 N105 R106	N100-E102 VanDerWaalsContact C-N 3.32Å; N100-E102 PolarHBondContact O-N 3.2Å; N100-E102 PolarHBondContact OD1-N 3.42Å; N100-E102 VanDerWaalsContact OD1-N 3.15Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 2.85Å; E102-N105 PolarHBondContact O-N 2.94Å; E102-R106 PolarHBondContact O-N 3.26Å
103	Y	95.7	Very high	96	Very high	68 Å²	68	75.2 Å²	75.2	27%	0.267	36%	0.362	S	S	.	.	H	α-helix	trans	-64	-40.6	176.1	-175	-115	0	0	0	111.1	P50 Y96 N100 N105 R106 L107	P50-Y103 HydrophobicContact CG-CE1 4.28Å; P50-Y103 VanDerWaalsContact CG-OH 3.31Å; P50-Y103 WeakPolarHBondContact CG-OH 3.31Å; Y96-Y103 AromaticContact CD1-CD1 3.63Å; Y96-Y103 HydrophobicContact CD1-CD1 3.63Å; Y96-Y103 HydrophobicContact CD1-CE1 4Å; Y96-Y103 AromaticContact CD2-CD1 3.94Å; Y96-Y103 HydrophobicContact CD2-CD1 3.94Å; Y96-Y103 AromaticContact CD2-CE1 3.8Å; Y96-Y103 HydrophobicContact CD2-CE1 3.8Å; Y96-Y103 AromaticContact CE1-CD1 3.95Å; Y96-Y103 HydrophobicContact CE1-CD1 3.95Å; Y96-Y103 AromaticContact CE1-CE1 3.9Å; Y96-Y103 HydrophobicContact CE1-CE1 3.9Å; Y96-Y103 HydrophobicContact CE2-CD1 4.24Å; Y96-Y103 AromaticContact CE2-CE1 3.7Å; Y96-Y103 HydrophobicContact CE2-CE1 3.7Å; Y96-Y103 AromaticContact CG-CD1 3.63Å; Y96-Y103 HydrophobicContact CG-CD1 3.63Å; Y96-Y103 AromaticContact CG-CE1 3.96Å; Y96-Y103 HydrophobicContact CG-CE1 3.96Å; Y96-Y103 AromaticContact CZ-CE1 3.74Å; N100-Y103 PolarHBondContact O-N 2.91Å; N100-Y103 PolarHBondContact OD1-N 3.14Å; Y103-N105 VanDerWaalsContact C-N 3.32Å; Y103-N105 PolarHBondContact O-N 3.25Å; Y103-R106 WeakPolarHBondContact O-CB 3.46Å; Y103-R106 PolarHBondContact O-N 3.48Å; Y103-R106 VanDerWaalsContact O-N 3.15Å; Y103-L107 HydrophobicContact CD1-CD1 4.08Å; Y103-L107 HydrophobicContact CD1-CG 4.37Å; Y103-L107 HydrophobicContact CE1-CD1 3.73Å; Y103-L107 HydrophobicContact CE1-CD2 4.28Å; Y103-L107 HydrophobicContact CE1-CG 4.09Å; Y103-L107 HydrophobicContact CE2-CD2 4.38Å; Y103-L107 WeakPolarHBondContact O-CG 3.46Å; Y103-L107 PolarHBondContact O-N 2.96Å
104	A	96.5	Very high	96	Very high	3 Å²	3	74.5 Å²	74.5	3%	0.025	36%	0.357	C	S	.	.	H	α-helix	trans	-59.9	-40	174.5	0	0	0	0	0	112.7	R97 N100 A101 E102 L107 Q108	R97-A104 HydrophobicContact CB-CB 4.22Å; N100-A104 PolarHBondContact O-N 3.14Å; N100-A104 VanDerWaalsContact O-N 3.12Å; A101-A104 PolarHBondContact O-N 3.44Å; E102-A104 VanDerWaalsContact C-N 3.33Å; E102-A104 PolarHBondContact O-N 2.85Å; A104-L107 PolarHBondContact O-N 3.38Å; A104-Q108 PolarHBondContact O-N 3.08Å
105	N	96.8	Very high	96.1	Very high	113 Å²	113	73.3 Å²	73.3	60%	0.604	35%	0.351	S	S	*	.	H	α-helix	trans	-63.9	-40.4	175	-68.6	-27.8	0	0	0	111.9	A101 E102 Y103 L107 Q108 A109	A101-N105 VanDerWaalsContact O-CG 3.24Å; A101-N105 PolarHBondContact O-N 2.77Å; A101-N105 PolarHBondContact O-ND2 3.44Å; E102-N105 PolarHBondContact O-N 2.94Å; Y103-N105 VanDerWaalsContact C-N 3.32Å; Y103-N105 PolarHBondContact O-N 3.25Å; N105-L107 VanDerWaalsContact C-N 3.35Å; N105-L107 PolarHBondContact O-N 3.23Å; N105-Q108 PolarHBondContact O-N 3.3Å; N105-A109 PolarHBondContact O-N 3.43Å
106	R	97.1	Very high	96.3	Very high	178 Å²	178	78.1 Å²	78.1	67%	0.672	37%	0.371	S	S	*	.	H	α-helix	trans	-62.2	-40.6	173.8	-67.8	-178	-174.6	-175.4	3.3	112.1	E102 Y103 A109 A110	E102-R106 PolarHBondContact O-N 3.26Å; Y103-R106 WeakPolarHBondContact O-CB 3.46Å; Y103-R106 PolarHBondContact O-N 3.48Å; Y103-R106 VanDerWaalsContact O-N 3.15Å; R106-A109 PolarHBondContact O-N 3.26Å; R106-A110 PolarHBondContact O-N 3Å
107	L	97.1	Very high	96.3	Very high	2 Å²	2	82.2 Å²	82.2	1%	0.01	39%	0.387	C	S	.	.	H	α-helix	trans	-64.2	-41	174.4	-65.1	-178.4	0	0	0	111.7	P50 L51 F89 V93 Y96 Y103 A104 N105 A109 A110 R111	P50-L107 HydrophobicContact CB-CD1 3.88Å; P50-L107 HydrophobicContact CB-CD2 3.74Å; P50-L107 HydrophobicContact CB-CG 4.43Å; P50-L107 HydrophobicContact CG-CD1 3.74Å; P50-L107 HydrophobicContact CG-CD2 3.49Å; P50-L107 VanDerWaalsContact CG-CD2 3.49Å; P50-L107 HydrophobicContact CG-CG 4.26Å; L51-L107 HydrophobicContact CD2-CD2 4.23Å; F89-L107 HydrophobicContact CZ-CB 4.02Å; F89-L107 WeakPolarHBondContact CZ-O 3.43Å; V93-L107 HydrophobicContact CG2-CB 4.08Å; V93-L107 HydrophobicContact CG2-CD1 4.43Å; Y96-L107 HydrophobicContact CD2-CD1 3.68Å; Y96-L107 HydrophobicContact CE2-CD1 4.24Å; Y96-L107 HydrophobicContact CG-CD1 4.44Å; Y103-L107 HydrophobicContact CD1-CD1 4.08Å; Y103-L107 HydrophobicContact CD1-CG 4.37Å; Y103-L107 HydrophobicContact CE1-CD1 3.73Å; Y103-L107 HydrophobicContact CE1-CD2 4.28Å; Y103-L107 HydrophobicContact CE1-CG 4.09Å; Y103-L107 HydrophobicContact CE2-CD2 4.38Å; Y103-L107 WeakPolarHBondContact O-CG 3.46Å; Y103-L107 PolarHBondContact O-N 2.96Å; A104-L107 PolarHBondContact O-N 3.38Å; N105-L107 VanDerWaalsContact C-N 3.35Å; N105-L107 PolarHBondContact O-N 3.23Å; L107-A109 VanDerWaalsContact C-N 3.33Å; L107-A109 PolarHBondContact O-N 3.39Å; L107-A110 PolarHBondContact O-N 3.42Å; L107-R111 PolarHBondContact O-N 3.38Å
108	Q	96.7	Very high	96.4	Very high	85 Å²	85	76.8 Å²	76.8	40%	0.397	37%	0.366	S	S	.	.	H	α-helix	trans	-62.8	-40.8	176.4	-165.1	67.5	21.1	0	0	111.7	A104 N105 R111 Q112	A104-Q108 PolarHBondContact O-N 3.08Å; N105-Q108 PolarHBondContact O-N 3.3Å; Q108-R111 WeakPolarHBondContact O-CB 3.32Å; Q108-R111 PolarHBondContact O-N 2.94Å; Q108-Q112 WeakPolarHBondContact O-CG 3.31Å; Q108-Q112 PolarHBondContact O-N 2.79Å
109	A	97.4	Very high	96.5	Very high	44 Å²	44	73.4 Å²	73.4	36%	0.364	35%	0.353	S	S	.	.	H	α-helix	trans	-62.5	-45.7	173	0	0	0	0	0	111.5	N105 R106 L107 R111 Q112 D113	N105-A109 PolarHBondContact O-N 3.43Å; R106-A109 PolarHBondContact O-N 3.26Å; L107-A109 VanDerWaalsContact C-N 3.33Å; L107-A109 PolarHBondContact O-N 3.39Å; A109-R111 VanDerWaalsContact C-N 3.26Å; A109-R111 PolarHBondContact O-N 3.19Å; A109-Q112 WeakPolarHBondContact O-CB 3.38Å; A109-Q112 PolarHBondContact O-N 2.9Å; A109-Q112 VanDerWaalsContact O-N 3.13Å; A109-D113 PolarHBondContact O-N 3.46Å
110	A	97.3	Very high	96.7	Very high	20 Å²	20	75.8 Å²	75.8	17%	0.165	36%	0.364	C	S	.	.	H	α-helix	trans	-58.6	-38.5	175.9	0	0	0	0	0	112.2	L51 L54 R106 L107 D113 Y114	L51-A110 HydrophobicContact CD2-CB 4.1Å; L54-A110 HydrophobicContact CD2-CB 4.13Å; L54-A110 WeakPolarHBondContact CD2-O 3.37Å; R106-A110 PolarHBondContact O-N 3Å; L107-A110 PolarHBondContact O-N 3.42Å; A110-D113 PolarHBondContact O-N 2.99Å; A110-Y114 PolarHBondContact O-N 3.12Å
111	R	96.9	Very high	96.7	Very high	37 Å²	37	74.3 Å²	74.3	14%	0.14	36%	0.355	C	S	.	.	H	α-helix	trans	-62.9	-45.8	174.4	178.1	55.8	178.1	-82.1	-6	112.3	F89 D90 L107 Q108 A109 D113 Y114 D115	F89-R111 HydrophobicContact CE1-CB 3.73Å; F89-R111 HydrophobicContact CE1-CG 4.18Å; F89-R111 HydrophobicContact CZ-CB 4.03Å; D90-R111 IonicContact OD1-CZ 2.69Å; D90-R111 IonicContact OD1-NH1 3.6Å; D90-R111 PolarHBondContact OD1-NH1 3.07Å; D90-R111 IonicContact OD2-NH1 3.56Å; L107-R111 PolarHBondContact O-N 3.38Å; Q108-R111 WeakPolarHBondContact O-CB 3.32Å; Q108-R111 PolarHBondContact O-N 2.94Å; A109-R111 VanDerWaalsContact C-N 3.26Å; A109-R111 PolarHBondContact O-N 3.19Å; R111-D113 VanDerWaalsContact C-N 3.31Å; R111-D113 PolarHBondContact O-N 3.32Å; R111-Y114 WeakPolarHBondContact O-CB 3.39Å; R111-Y114 PolarHBondContact O-N 3.32Å; R111-D115 IonicContact NE-OD1 3.53Å; R111-D115 PolarHBondContact NE-OD1 3.42Å; R111-D115 IonicContact NE-OD2 3.26Å; R111-D115 PolarHBondContact O-N 3.21Å
112	Q	97.5	Very high	96.7	Very high	104 Å²	104	74.4 Å²	74.4	49%	0.486	35%	0.347	S	S	.	.	H	α-helix	trans	-61.1	-41.1	176.1	-69.9	176.3	-2.2	0	0	111.8	Q108 A109 Y114 D115 K116	Q108-Q112 WeakPolarHBondContact O-CG 3.31Å; Q108-Q112 PolarHBondContact O-N 2.79Å; A109-Q112 WeakPolarHBondContact O-CB 3.38Å; A109-Q112 PolarHBondContact O-N 2.9Å; A109-Q112 VanDerWaalsContact O-N 3.13Å; Q112-Y114 VanDerWaalsContact C-N 3.32Å; Q112-Y114 PolarHBondContact O-N 3.32Å; Q112-D115 PolarHBondContact O-N 3.14Å; Q112-K116 WeakPolarHBondContact O-CG 3.34Å; Q112-K116 PolarHBondContact O-N 3.07Å
113	D	97.5	Very high	96.6	Very high	68 Å²	68	70.8 Å²	70.8	36%	0.364	33%	0.332	S	S	.	.	H	α-helix	trans	-66.6	-35.2	178	-69.7	-21.4	0	0	0	112.4	A109 A110 R111 K116 R117	A109-D113 PolarHBondContact O-N 3.46Å; A110-D113 PolarHBondContact O-N 2.99Å; R111-D113 VanDerWaalsContact C-N 3.31Å; R111-D113 PolarHBondContact O-N 3.32Å; D113-K116 IonicContact OD1-NZ 2.65Å; D113-K116 PolarHBondContact OD1-NZ 3.5Å; D113-R117 WeakPolarHBondContact O-CG 3.45Å; D113-R117 PolarHBondContact O-N 2.91Å; D113-R117 VanDerWaalsContact O-N 3.08Å
114	Y	97.7	Very high	96.6	Very high	2 Å²	2	73.9 Å²	73.9	1%	0.008	34%	0.344	C	S	.	.	H	α-helix	trans	-64.4	-46.1	169.8	160.1	-93.8	0	0	0	112.3	L54 T57 T58 D61 L86 A110 R111 Q112 K116 R117 R118	L54-Y114 VanDerWaalsContact CD1-CB 3.43Å; L54-Y114 HydrophobicContact CD1-CD1 3.65Å; L54-Y114 HydrophobicContact CD1-CD2 3.69Å; L54-Y114 HydrophobicContact CD1-CE1 4.35Å; L54-Y114 HydrophobicContact CD1-CE2 4.39Å; L54-Y114 HydrophobicContact CD1-CG 3.27Å; L54-Y114 HydrophobicContact CD2-CG 4.48Å; L54-Y114 HydrophobicContact CG-CD2 4.07Å; L54-Y114 HydrophobicContact CG-CG 3.93Å; T57-Y114 HydrophobicContact CG2-CE1 4.29Å; T57-Y114 HydrophobicContact CG2-CE2 3.9Å; T57-Y114 VanDerWaalsContact CG2-CZ 3.48Å; T57-Y114 WeakPolarHBondContact CG2-OH 3.03Å; T58-Y114 WeakPolarHBondContact OG1-CD2 3.4Å; D61-Y114 WeakPolarHBondContact OD2-CE2 3.45Å; D61-Y114 PolarHBondContact OD2-OH 3.3Å; L86-Y114 HydrophobicContact CD1-CE1 4.44Å; L86-Y114 HydrophobicContact CD2-CE1 4Å; A110-Y114 PolarHBondContact O-N 3.12Å; R111-Y114 WeakPolarHBondContact O-CB 3.39Å; R111-Y114 PolarHBondContact O-N 3.32Å; Q112-Y114 VanDerWaalsContact C-N 3.32Å; Q112-Y114 PolarHBondContact O-N 3.32Å; Y114-K116 VanDerWaalsContact C-N 3.26Å; Y114-K116 PolarHBondContact O-N 3.33Å; Y114-R117 PolarHBondContact O-N 3.33Å; Y114-R118 WeakPolarHBondContact O-CB 3.42Å; Y114-R118 PolarHBondContact O-N 2.9Å; Y114-R118 WeakPolarHBondContact OH-CD 3.18Å
115	D	97.2	Very high	96.5	Very high	69 Å²	69	77.1 Å²	77.1	37%	0.369	36%	0.356	S	S	.	.	H	α-helix	trans	-61.7	-37.3	-179.9	-68.7	-27.3	0	0	0	111	R111 Q112 H119	R111-D115 IonicContact NE-OD1 3.53Å; R111-D115 PolarHBondContact NE-OD1 3.42Å; R111-D115 IonicContact NE-OD2 3.26Å; R111-D115 PolarHBondContact O-N 3.21Å; Q112-D115 PolarHBondContact O-N 3.14Å; D115-H119 WeakPolarHBondContact O-CB 3.46Å; D115-H119 PolarHBondContact O-N 3.13Å
116	K	97.5	Very high	96.3	Very high	118 Å²	118	76.8 Å²	76.8	51%	0.513	35%	0.351	S	S	.	.	H	α-helix	trans	-61.3	-53.2	171.4	-69.4	171	-166.9	162.6	0	112	Q112 D113 Y114 R118 H119 E120	Q112-K116 WeakPolarHBondContact O-CG 3.34Å; Q112-K116 PolarHBondContact O-N 3.07Å; D113-K116 IonicContact OD1-NZ 2.65Å; D113-K116 PolarHBondContact OD1-NZ 3.5Å; Y114-K116 VanDerWaalsContact C-N 3.26Å; Y114-K116 PolarHBondContact O-N 3.33Å; K116-R118 VanDerWaalsContact C-N 3.29Å; K116-R118 PolarHBondContact O-N 3.3Å; K116-H119 WeakPolarHBondContact O-CB 3.35Å; K116-H119 PolarHBondContact O-N 2.96Å; K116-H119 VanDerWaalsContact O-N 3.1Å; K116-E120 WeakPolarHBondContact O-CG 3.12Å; K116-E120 PolarHBondContact O-N 3.37Å
117	R	96.4	Very high	96.2	Very high	117 Å²	117	74.1 Å²	74.1	44%	0.442	35%	0.346	S	S	.	.	H	α-helix	trans	-58.7	-41	178.8	-74.8	-171.5	-63.6	-95.8	0.6	112	D113 Y114 H119 E120 M121	D113-R117 WeakPolarHBondContact O-CG 3.45Å; D113-R117 PolarHBondContact O-N 2.91Å; D113-R117 VanDerWaalsContact O-N 3.08Å; Y114-R117 PolarHBondContact O-N 3.33Å; R117-H119 VanDerWaalsContact C-N 3.34Å; R117-E120 PolarHBondContact O-N 3.11Å; R117-M121 WeakPolarHBondContact O-CG 3.45Å; R117-M121 PolarHBondContact O-N 3.24Å
118	R	96.2	Very high	95.9	Very high	67 Å²	67	75.5 Å²	75.5	25%	0.253	35%	0.354	S	S	.	.	H	α-helix	trans	-62.2	-43.4	176	-179.7	180	178.3	-84.8	-8.5	111.2	D61 Y65 R82 Y114 K116 M121 M122	D61-R118 IonicContact OD1-NE 3.5Å; D61-R118 PolarHBondContact OD1-NE 3.25Å; Y65-R118 HydrophobicContact CE2-CG 4.25Å; Y65-R118 PolarHBondContact OH-NH2 2.93Å; R82-R118 VanDerWaalsContact CZ-NH2 3.26Å; Y114-R118 WeakPolarHBondContact O-CB 3.42Å; Y114-R118 PolarHBondContact O-N 2.9Å; Y114-R118 WeakPolarHBondContact OH-CD 3.18Å; K116-R118 VanDerWaalsContact C-N 3.29Å; K116-R118 PolarHBondContact O-N 3.3Å; R118-M121 PolarHBondContact O-N 3.07Å; R118-M122 WeakPolarHBondContact O-CB 3.39Å; R118-M122 PolarHBondContact O-N 3.21Å
119	H	97.3	Very high	95.6	Very high	97 Å²	97	75.4 Å²	75.4	45%	0.449	35%	0.352	S	S	.	.	H	α-helix	trans	-63	-43.8	177	-173.9	64.9	0	0	0	111.8	D115 K116 R117 M121 M122 L123	D115-H119 WeakPolarHBondContact O-CB 3.46Å; D115-H119 PolarHBondContact O-N 3.13Å; K116-H119 WeakPolarHBondContact O-CB 3.35Å; K116-H119 PolarHBondContact O-N 2.96Å; K116-H119 VanDerWaalsContact O-N 3.1Å; R117-H119 VanDerWaalsContact C-N 3.34Å; H119-M121 PolarHBondContact O-N 3.46Å; H119-M122 WeakPolarHBondContact ND1-CE 3.45Å; H119-M122 PolarHBondContact O-N 2.98Å; H119-L123 WeakPolarHBondContact NE2-CD1 3.42Å; H119-L123 WeakPolarHBondContact O-CG 3.46Å; H119-L123 PolarHBondContact O-N 3.09Å
120	E	96.3	Very high	95.3	Very high	127 Å²	127	77.8 Å²	77.8	59%	0.593	36%	0.359	S	S	*	.	H	α-helix	trans	-59.3	-45.9	174.7	-70.4	170.4	178.8	0	0	112.1	K116 R117 M122 L123 Y124	K116-E120 WeakPolarHBondContact O-CG 3.12Å; K116-E120 PolarHBondContact O-N 3.37Å; R117-E120 PolarHBondContact O-N 3.11Å; E120-M122 PolarHBondContact O-N 3.3Å; E120-L123 PolarHBondContact O-N 3.4Å; E120-Y124 WeakPolarHBondContact O-CB 3.32Å; E120-Y124 PolarHBondContact O-N 3.27Å
121	M	94.3	Very high	94.9	Very high	49 Å²	49	80 Å²	80	24%	0.241	38%	0.377	C	S	.	.	H	α-helix	trans	-61.1	-43.7	176.1	-75.1	-165.3	62.5	0	0	112.4	K62 Y65 R117 R118 H119 Y124 Y125	K62-M121 HydrophobicContact CB-CE 4.26Å; K62-M121 HydrophobicContact CG-CE 3.8Å; K62-M121 HydrophobicContact CG-SD 4.12Å; Y65-M121 HydrophobicContact CD2-CB 4.38Å; R117-M121 WeakPolarHBondContact O-CG 3.45Å; R117-M121 PolarHBondContact O-N 3.24Å; R118-M121 PolarHBondContact O-N 3.07Å; H119-M121 PolarHBondContact O-N 3.46Å; M121-Y124 PolarHBondContact O-N 2.94Å; M121-Y125 WeakPolarHBondContact O-CB 3.46Å; M121-Y125 PolarHBondContact O-N 2.92Å
122	M	94.1	Very high	94.5	Very high	56 Å²	56	85 Å²	85	28%	0.276	40%	0.402	S	S	.	.	H	α-helix	trans	-62.9	-44.5	177.9	-178.2	-167.4	75.9	0	0	111.7	Y65 R118 H119 E120 Y125 E126	Y65-M122 HydrophobicContact CD1-CB 4.23Å; Y65-M122 HydrophobicContact CD1-CG 4.39Å; Y65-M122 HydrophobicContact CE1-CB 4Å; Y65-M122 HydrophobicContact CE1-CG 3.82Å; Y65-M122 HydrophobicContact CE2-CB 4.29Å; Y65-M122 HydrophobicContact CG-CB 4.5Å; R118-M122 WeakPolarHBondContact O-CB 3.39Å; R118-M122 PolarHBondContact O-N 3.21Å; H119-M122 WeakPolarHBondContact ND1-CE 3.45Å; H119-M122 PolarHBondContact O-N 2.98Å; E120-M122 PolarHBondContact O-N 3.3Å; M122-Y125 PolarHBondContact O-N 2.9Å; M122-E126 WeakPolarHBondContact O-CB 3.44Å; M122-E126 PolarHBondContact O-N 3.26Å
123	L	95.6	Very high	94	Very high	62 Å²	62	87 Å²	87	33%	0.325	41%	0.405	S	S	.	.	H	α-helix	trans	-62.1	-44.4	176.2	-73.9	176.2	0	0	0	111.6	H119 E120 E126 Q127	H119-L123 WeakPolarHBondContact NE2-CD1 3.42Å; H119-L123 WeakPolarHBondContact O-CG 3.46Å; H119-L123 PolarHBondContact O-N 3.09Å; E120-L123 PolarHBondContact O-N 3.4Å; L123-E126 PolarHBondContact O-N 3.27Å; L123-Q127 WeakPolarHBondContact O-CB 3.42Å; L123-Q127 VanDerWaalsContact O-CG 3.25Å; L123-Q127 WeakPolarHBondContact O-CG 3.32Å; L123-Q127 PolarHBondContact O-N 3.38Å
124	Y	94.7	Very high	93.5	Very high	134 Å²	134	87.5 Å²	87.5	53%	0.525	41%	0.41	S	S	.	.	H	α-helix	trans	-60.7	-47	176.5	176.2	-107.4	0	0	0	111.6	P67 E120 M121 E126 Q127 V128	P67-Y124 HydrophobicContact CG-CD1 4.44Å; P67-Y124 HydrophobicContact CG-CE1 3.7Å; E120-Y124 WeakPolarHBondContact O-CB 3.32Å; E120-Y124 PolarHBondContact O-N 3.27Å; M121-Y124 PolarHBondContact O-N 2.94Å; Y124-E126 VanDerWaalsContact C-N 3.34Å; Y124-E126 PolarHBondContact O-N 3.11Å; Y124-Q127 PolarHBondContact O-N 3.38Å; Y124-V128 HydrophobicContact CD1-CG2 4.41Å; Y124-V128 HydrophobicContact CD2-CG2 4.26Å; Y124-V128 HydrophobicContact CE1-CG2 3.99Å; Y124-V128 HydrophobicContact CE2-CG2 3.81Å; Y124-V128 WeakPolarHBondContact O-CG2 3.47Å; Y124-V128 PolarHBondContact O-N 2.87Å
125	Y	94.4	Very high	92.6	Very high	71 Å²	71	93.9 Å²	93.9	28%	0.278	44%	0.438	S	S	.	.	H	α-helix	trans	-58.6	-44.6	176.5	177.3	-100.8	0	0	0	112.1	Y65 M121 M122 V128 K129	Y65-Y125 HydrophobicContact CD1-CD1 4.01Å; Y65-Y125 HydrophobicContact CD1-CG 4.09Å; M121-Y125 WeakPolarHBondContact O-CB 3.46Å; M121-Y125 PolarHBondContact O-N 2.92Å; M122-Y125 PolarHBondContact O-N 2.9Å; Y125-V128 PolarHBondContact O-N 3.37Å; Y125-K129 HydrophobicContact CE1-CD 4.12Å; Y125-K129 VanDerWaalsContact O-CB 3.28Å; Y125-K129 WeakPolarHBondContact O-CB 3.43Å; Y125-K129 PolarHBondContact O-N 3.49Å
126	E	93.6	Very high	91.7	Very high	105 Å²	105	94.7 Å²	94.7	49%	0.491	45%	0.454	S	S	.	.	H	α-helix	trans	-62.3	-45.1	176.8	-172.4	177.4	-156.2	0	0	111.7	M122 L123 Y124 K129 L130	M122-E126 WeakPolarHBondContact O-CB 3.44Å; M122-E126 PolarHBondContact O-N 3.26Å; L123-E126 PolarHBondContact O-N 3.27Å; Y124-E126 VanDerWaalsContact C-N 3.34Å; Y124-E126 PolarHBondContact O-N 3.11Å; E126-K129 PolarHBondContact O-N 3.03Å; E126-L130 HydrophobicContact CG-CD1 4.12Å; E126-L130 HydrophobicContact CG-CG 4.44Å; E126-L130 WeakPolarHBondContact O-CB 3.47Å; E126-L130 VanDerWaalsContact O-CG 3.25Å; E126-L130 WeakPolarHBondContact O-CG 3.41Å; E126-L130 PolarHBondContact O-N 3.39Å
127	Q	94.1	Very high	90.7	Very high	123 Å²	123	94.1 Å²	94.1	58%	0.575	47%	0.465	S	S	*	.	H	α-helix	trans	-60.2	-46.4	176.8	-72.6	170.3	13.4	0	0	112.3	L123 Y124 L130 A131	L123-Q127 WeakPolarHBondContact O-CB 3.42Å; L123-Q127 VanDerWaalsContact O-CG 3.25Å; L123-Q127 WeakPolarHBondContact O-CG 3.32Å; L123-Q127 PolarHBondContact O-N 3.38Å; Y124-Q127 PolarHBondContact O-N 3.38Å; Q127-L130 PolarHBondContact O-N 3.48Å; Q127-A131 WeakPolarHBondContact O-CB 3.47Å; Q127-A131 PolarHBondContact O-N 2.91Å
128	V	92	Very high	89.9	Confident	31 Å²	31	94.5 Å²	94.5	19%	0.188	47%	0.472	C	S	.	.	H	α-helix	trans	-62	-47	177.5	173.5	0	0	0	0	110.4	P67 Y124 Y125 L130 A131 E132	P67-V128 HydrophobicContact CB-CB 4.17Å; P67-V128 HydrophobicContact CB-CG1 3.61Å; P67-V128 HydrophobicContact CG-CB 4.42Å; P67-V128 HydrophobicContact CG-CG1 4.14Å; P67-V128 HydrophobicContact CG-CG2 4.27Å; Y124-V128 HydrophobicContact CD1-CG2 4.41Å; Y124-V128 HydrophobicContact CD2-CG2 4.26Å; Y124-V128 HydrophobicContact CE1-CG2 3.99Å; Y124-V128 HydrophobicContact CE2-CG2 3.81Å; Y124-V128 WeakPolarHBondContact O-CG2 3.47Å; Y124-V128 PolarHBondContact O-N 2.87Å; Y125-V128 PolarHBondContact O-N 3.37Å; V128-L130 VanDerWaalsContact C-N 3.28Å; V128-L130 PolarHBondContact O-N 3.34Å; V128-A131 PolarHBondContact O-N 2.83Å; V128-E132 HydrophobicContact CG1-CG 4.41Å; V128-E132 WeakPolarHBondContact O-CG 3.45Å; V128-E132 PolarHBondContact O-N 3.15Å
129	K	89.5	Confident	89	Confident	82 Å²	82	96.2 Å²	96.2	36%	0.357	49%	0.485	S	S	.	.	H	α-helix	trans	-64.5	-31.4	178.6	-156	-169.8	-173.3	166.5	0	112.8	Y125 E126 R133	Y125-K129 HydrophobicContact CE1-CD 4.12Å; Y125-K129 VanDerWaalsContact O-CB 3.28Å; Y125-K129 WeakPolarHBondContact O-CB 3.43Å; Y125-K129 PolarHBondContact O-N 3.49Å; E126-K129 PolarHBondContact O-N 3.03Å; K129-R133 VanDerWaalsContact C-NH1 3.31Å; K129-R133 VanDerWaalsContact CG-NH1 3.31Å; K129-R133 WeakPolarHBondContact O-CG 3.38Å; K129-R133 PolarHBondContact O-NH1 3.47Å
130	L	90.9	Very high	88.1	Confident	94 Å²	94	97.2 Å²	97.2	49%	0.492	50%	0.5	S	S	.	.	H	α-helix	trans	-72.1	-45.7	173.5	-74	173.7	0	0	0	110.7	E126 Q127 V128 E132 R133 V134	E126-L130 HydrophobicContact CG-CD1 4.12Å; E126-L130 HydrophobicContact CG-CG 4.44Å; E126-L130 WeakPolarHBondContact O-CB 3.47Å; E126-L130 VanDerWaalsContact O-CG 3.25Å; E126-L130 WeakPolarHBondContact O-CG 3.41Å; E126-L130 PolarHBondContact O-N 3.39Å; Q127-L130 PolarHBondContact O-N 3.48Å; V128-L130 VanDerWaalsContact C-N 3.28Å; V128-L130 PolarHBondContact O-N 3.34Å; L130-E132 VanDerWaalsContact C-N 3.33Å; L130-E132 PolarHBondContact O-N 3.18Å; L130-R133 WeakPolarHBondContact O-CB 3.41Å; L130-R133 PolarHBondContact O-N 2.97Å; L130-R133 VanDerWaalsContact O-N 3.08Å; L130-V134 PolarHBondContact O-N 3.38Å
131	A	89.8	Confident	87.1	Confident	66 Å²	66	98.5 Å²	98.5	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-60.7	-40.1	177.7	0	0	0	0	0	112.5	Q127 V128 R133 V134	Q127-A131 WeakPolarHBondContact O-CB 3.47Å; Q127-A131 PolarHBondContact O-N 2.91Å; V128-A131 PolarHBondContact O-N 2.83Å; A131-R133 PolarHBondContact O-N 3.36Å; A131-V134 PolarHBondContact O-N 2.9Å
132	E	87.9	Confident	86.4	Confident	142 Å²	142	101.3 Å²	101.3	66%	0.664	53%	0.532	S	S	*	.	H	α-helix	trans	-63.5	-26.2	174.9	-74.6	177.2	171.1	0	0	113.6	V128 L130	V128-E132 HydrophobicContact CG1-CG 4.41Å; V128-E132 WeakPolarHBondContact O-CG 3.45Å; V128-E132 PolarHBondContact O-N 3.15Å; L130-E132 VanDerWaalsContact C-N 3.33Å; L130-E132 PolarHBondContact O-N 3.18Å
133	R	87	Confident	85.5	Confident	148 Å²	148	108.5 Å²	108.5	56%	0.558	56%	0.562	S	S	*	*	H	α-helix	trans	-82.3	-26.8	176.5	-71.4	-178.2	-169.6	106.4	-20.1	113	K129 L130 A131 K135	K129-R133 VanDerWaalsContact C-NH1 3.31Å; K129-R133 VanDerWaalsContact CG-NH1 3.31Å; K129-R133 WeakPolarHBondContact O-CG 3.38Å; K129-R133 PolarHBondContact O-NH1 3.47Å; L130-R133 WeakPolarHBondContact O-CB 3.41Å; L130-R133 PolarHBondContact O-N 2.97Å; L130-R133 VanDerWaalsContact O-N 3.08Å; A131-R133 PolarHBondContact O-N 3.36Å; R133-K135 PolarHBondContact O-N 2.94Å
134	V	86.2	Confident	84.2	Confident	77 Å²	77	110.8 Å²	110.8	47%	0.467	57%	0.574	S	S	.	*	S	Bend	trans	-73.5	113.4	179	177.3	0	0	0	0	108.8	L130 A131 I139	L130-V134 PolarHBondContact O-N 3.38Å; A131-V134 PolarHBondContact O-N 2.9Å; V134-I139 HydrophobicContact CG1-CG1 4.06Å
135	K	80.4	Confident	82.8	Confident	136 Å²	136	107.9 Å²	107.9	59%	0.591	57%	0.572	S	S	*	*			trans	-70	138.9	172.7	-66.2	175	-175.3	165.5	0	108.9	R133 S137 E138	R133-K135 PolarHBondContact O-N 2.94Å; K135-S137 PolarHBondContact O-N 3.36Å; K135-E138 PolarHBondContact O-N 3.26Å
136	A	76.9	Confident	81.3	Confident	86 Å²	86	113.2 Å²	113.2	71%	0.711	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-53.4	-27.1	179.9	0	0	0	0	0	113.8	E138	A136-E138 VanDerWaalsContact C-N 3.29Å; A136-E138 PolarHBondContact O-N 3.35Å
137	S	77.6	Confident	79.6	Confident	107 Å²	107	113.2 Å²	113.2	75%	0.748	61%	0.61	S	S	*	*	G	3₁₀ helix	trans	-69.7	-18.1	176.8	54.9	0	0	0	0	115	K135	K135-S137 PolarHBondContact O-N 3.36Å
138	E	79.6	Confident	77.8	Confident	124 Å²	124	113.7 Å²	113.7	58%	0.579	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-97	-4.9	-177.2	-66.6	172.3	-167	0	0	112.3	K135 A136 P140	K135-E138 PolarHBondContact O-N 3.26Å; A136-E138 VanDerWaalsContact C-N 3.29Å; A136-E138 PolarHBondContact O-N 3.35Å; E138-P140 VanDerWaalsContact O-CD 3.25Å; E138-P140 WeakPolarHBondContact O-CD 3.26Å
139	I	76.8	Confident	76	Confident	104 Å²	104	119.3 Å²	119.3	53%	0.533	64%	0.638	S	S	.	*	S	Bend	trans	-72.1	116	176	-56.9	175	0	0	0	107.9	V134 L141	V134-I139 HydrophobicContact CG1-CG1 4.06Å; I139-L141 PolarHBondContact O-N 2.89Å
140	P	79	Confident	74.1	Confident	118 Å²	118	118 Å²	118	77%	0.766	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-61.9	116.2	178.3	-18.7	31.5	0	0	0	109.4	E138	E138-P140 VanDerWaalsContact O-CD 3.25Å; E138-P140 WeakPolarHBondContact O-CD 3.26Å
141	L	75.6	Confident	72.1	Confident	153 Å²	153	121 Å²	121	80%	0.801	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-62.6	134.6	172.2	-66.1	172.8	0	0	0	108.8	I139 K143	I139-L141 PolarHBondContact O-N 2.89Å; L141-K143 PolarHBondContact O-N 3.5Å
142	P	78.5	Confident	70.3	Confident	108 Å²	108	124.3 Å²	124.3	70%	0.701	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-58	130.1	175	22.1	-30.4	0	0	0	109.2	L144	P142-L144 PolarHBondContact O-N 3.28Å
143	K	74.6	Confident	68.4	Low	208 Å²	208	124 Å²	124	90%	0.904	68%	0.68	S	S	*	*			trans	-65.6	105	172.8	-67.3	-177.9	-178.9	177.1	0	107.3	L141	L141-K143 PolarHBondContact O-N 3.5Å
144	L	69	Low	66.8	Low	109 Å²	109	121.5 Å²	121.5	57%	0.571	69%	0.685	S	S	*	*			trans	-57.7	133.6	172.1	-78	93.4	0	0	0	108.2	P142 Q146	P142-L144 PolarHBondContact O-N 3.28Å; L144-Q146 PolarHBondContact O-N 2.97Å; L144-Q146 VanDerWaalsContact O-N 3.16Å
145	P	65.2	Low	65.3	Low	74 Å²	74	125.1 Å²	125.1	48%	0.481	70%	0.701	S	S	.	*			trans	-58.1	124.7	170	24	-30.7	0	0	0	108	S147 Q148	P145-S147 PolarHBondContact O-N 3.15Å; P145-Q148 PolarHBondContact O-N 3.07Å
146	Q	62.2	Low	64	Low	183 Å²	183	126 Å²	126	86%	0.855	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-10	-179.2	-70.4	176.8	-39.4	0	0	113.1	L144 Q148	L144-Q146 PolarHBondContact O-N 2.97Å; L144-Q146 VanDerWaalsContact O-N 3.16Å; Q146-Q148 VanDerWaalsContact C-N 3.28Å; Q146-Q148 PolarHBondContact O-N 3.39Å
147	S	59.2	Low	63.2	Low	104 Å²	104	127.6 Å²	127.6	73%	0.727	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73	-7.9	172.4	54.3	0	0	0	0	115.2	P145	P145-S147 PolarHBondContact O-N 3.15Å
148	Q	56.1	Low	62.4	Low	134 Å²	134	130.1 Å²	130.1	63%	0.626	72%	0.718	S	S	*	*	S	Bend	trans	-111.1	-7.4	175.9	-75.4	-174.7	-24.4	0	0	114.7	P145 Q146 G150 L151	P145-Q148 PolarHBondContact O-N 3.07Å; Q146-Q148 VanDerWaalsContact C-N 3.28Å; Q146-Q148 PolarHBondContact O-N 3.39Å; Q148-G150 PolarHBondContact O-N 2.98Å; Q148-L151 PolarHBondContact O-N 3.25Å
149	M	54.3	Low	62	Low	148 Å²	148	129.6 Å²	129.6	73%	0.729	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	4	179	-75.1	-68.2	-67.1	0	0	113.9
150	G	50.4	Low	61.1	Low	56 Å²	56	130.8 Å²	130.8	58%	0.577	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.4	-0.2	174.7	0	0	0	0	0	115.3	Q148 I152	Q148-G150 PolarHBondContact O-N 2.98Å; G150-I152 VanDerWaalsContact C-N 3.26Å; G150-I152 PolarHBondContact O-N 3.36Å
151	L	47.8	Very low	59.6	Low	155 Å²	155	128.3 Å²	128.3	81%	0.812	74%	0.736	S	S	*	*			trans	-84.6	75.5	173.8	-106.5	76.5	0	0	0	110.2	Q148 T153	Q148-L151 PolarHBondContact O-N 3.25Å; L151-T153 PolarHBondContact O-N 3.49Å; L151-T153 VanDerWaalsContact O-N 3.09Å
152	I	51.8	Low	58.4	Low	136 Å²	136	124.6 Å²	124.6	70%	0.697	74%	0.735	S	S	*	*			trans	-58.1	103.6	158.6	46.1	167.7	0	0	0	109.3	G150 S154	G150-I152 VanDerWaalsContact C-N 3.26Å; G150-I152 PolarHBondContact O-N 3.36Å; I152-S154 PolarHBondContact O-N 3.12Å
153	T	48.4	Very low	56.9	Low	137 Å²	137	130 Å²	130	84%	0.84	74%	0.743	S	S	*	*	S	Bend	trans	20.6	65.7	133.4	62.3	0	0	0	0	118.4	L151	L151-T153 PolarHBondContact O-N 3.49Å; L151-T153 VanDerWaalsContact O-N 3.09Å
154	S	53.7	Low	55.9	Low	94 Å²	94	124.2 Å²	124.2	66%	0.657	73%	0.734	S	S	*	*	S	Bend	trans	-179	132.2	154.7	37.1	0	0	0	0	107.5	I152	I152-S154 PolarHBondContact O-N 3.12Å
155	D	53.4	Low	55.1	Low	153 Å²	153	128.2 Å²	128.2	82%	0.818	75%	0.746	S	S	*	*			trans	81.5	66.4	173.6	-48.7	-30.1	0	0	0	117.1	P157	D155-P157 WeakPolarHBondContact O-CD 3.31Å
156	I	54.3	Low	54.2	Low	156 Å²	156	128.6 Å²	128.6	80%	0.8	76%	0.764	S	S	*	*			trans	-86.8	113.7	150.5	-61.2	170.9	0	0	0	107	L158	I156-L158 PolarHBondContact O-N 2.84Å; I156-L158 VanDerWaalsContact O-N 3.14Å
157	P	59.9	Low	54	Low	118 Å²	118	127.1 Å²	127.1	77%	0.766	76%	0.761	S	S	*	*			trans	-67.7	112.5	176.2	-15.9	30.3	0	0	0	110	D155	D155-P157 WeakPolarHBondContact O-CD 3.31Å
158	L	61.7	Low	53.4	Low	160 Å²	160	130.5 Å²	130.5	84%	0.838	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-64.9	132.2	170.8	-75.2	150	0	0	0	109.5	I156	I156-L158 PolarHBondContact O-N 2.84Å; I156-L158 VanDerWaalsContact O-N 3.14Å
159	P	69.4	Low	53.1	Low	114 Å²	114	133.4 Å²	133.4	74%	0.74	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-64.7	135.8	173.3	26.1	-32.3	0	0	0	110.1
160	P	59	Low	52.6	Low	128 Å²	128	136 Å²	136	83%	0.831	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-66.3	139.9	179.6	26.9	-31.6	0	0	0	110.4	G162	P160-G162 PolarHBondContact O-N 3.27Å
161	G	47.1	Very low	52.4	Low	66 Å²	66	138.6 Å²	138.6	68%	0.68	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-46.6	127	-169.1	0	0	0	0	0	115.5
162	G	49.8	Very low	52.3	Low	76 Å²	76	139.7 Å²	139.7	78%	0.784	80%	0.802	S	S	*	*			trans	-127.9	93.9	165.6	0	0	0	0	0	109.3	P160 A164	P160-G162 PolarHBondContact O-N 3.27Å; G162-A164 PolarHBondContact O-N 2.89Å
163	Y	46.9	Very low	51.8	Low	221 Å²	221	136.5 Å²	136.5	87%	0.867	80%	0.803	S	S	*	*			trans	-53.3	126.7	167.9	-35.7	-95.4	0	0	0	109.9
164	A	53.6	Low	51.8	Low	86 Å²	86	134.7 Å²	134.7	71%	0.711	80%	0.802	S	S	*	*			trans	172.3	114.7	138.5	0	0	0	0	0	113.1	G162	G162-A164 PolarHBondContact O-N 2.89Å
165	K	54.2	Low	51.4	Low	193 Å²	193	136.3 Å²	136.3	84%	0.839	81%	0.811	S	S	*	*			trans	65.5	104.2	136.3	-52.9	-161.8	-177.4	-169.4	0	117.7
166	G	45.5	Very low	50.9	Low	82 Å²	82	132.4 Å²	132.4	85%	0.845	81%	0.806	S	S	*	*			trans	-58.3	143.1	167.9	0	0	0	0	0	113
167	I	58.7	Low	50.7	Low	153 Å²	153	133.1 Å²	133.1	79%	0.785	81%	0.811	S	S	*	*			trans	-137.9	65	172.5	-46.1	-180	0	0	0	108.3	K169	I167-K169 PolarHBondContact O-N 3.03Å
168	L	46.1	Very low	50.2	Low	174 Å²	174	132.8 Å²	132.8	91%	0.911	81%	0.808	S	S	*	*			trans	-79.2	94.2	151.6	-160.2	84.9	0	0	0	105.8
169	K	49.3	Very low	49.6	Very low	196 Å²	196	131 Å²	131	85%	0.852	81%	0.807	S	S	*	*			trans	-165.2	123.7	166.3	-106.6	158.3	-164.6	-170.6	0	113.3	I167	I167-K169 PolarHBondContact O-N 3.03Å
170	K	44.1	Very low	48.2	Very low	201 Å²	201	131.1 Å²	131.1	87%	0.874	81%	0.81	S	S	*	*			trans	-62.9	147.5	166.7	-55.2	169	170.4	-171.2	0	110.1
171	S	46	Very low	48	Very low	112 Å²	112	132.7 Å²	132.7	78%	0.783	81%	0.81	S	S	*	*			trans	140.4	119.7	136.3	72.5	0	0	0	0	115
172	L	44.9	Very low	48.2	Very low	177 Å²	177	137.6 Å²	137.6	93%	0.927	82%	0.82	S	S	*	*				72.6	117.2	120.1	-152.1	73.5	0	0	0	121.2
173	G	42.6	Very low	48.5	Very low	70 Å²	70	139.7 Å²	139.7	72%	0.722	82%	0.819	S	S	*	*			trans	84.6	111.8	140.5	0	0	0	0	0	117.7
174	A	46.9	Very low	48.8	Very low	99 Å²	99	134.1 Å²	134.1	82%	0.818	82%	0.819	S	S	*	*				112	173.7	79.7	0	0	0	0	0	109.8
175	P	45.4	Very low	48.5	Very low	128 Å²	128	133.1 Å²	133.1	83%	0.831	82%	0.817	S	S	*	*				-131.7	162.8	-70.9	37.6	-22.1	0	0	0	114.6
176	G	43.2	Very low	48.5	Very low	70 Å²	70	136 Å²	136	72%	0.722	82%	0.822	S	S	*	*			trans	104.6	119.6	144	0	0	0	0	0	119.1
177	L	51.1	Low	49.2	Very low	172 Å²	172	141.7 Å²	141.7	90%	0.901	82%	0.824	S	S	*	*				159.2	153.5	126.9	-84.4	163	0	0	0	111.6
178	P	49.1	Very low	49.5	Very low	110 Å²	110	139.9 Å²	139.9	71%	0.714	82%	0.822	S	S	*	*				-115.2	-175.9	-115.8	46.5	-38.1	0	0	0	113.7
179	P	48	Very low	50.5	Low	124 Å²	124	138 Å²	138	81%	0.805	82%	0.82	S	S	*	*			trans	-92.3	163.5	-152.3	38.4	-34.8	0	0	0	114.3
180	S	41.9	Very low	51.4	Low	115 Å²	115	131.6 Å²	131.6	80%	0.804	81%	0.81	S	S	*	*			trans	122.9	138	159.7	-156	0	0	0	0	112.8
181	I	54.4	Low	52.8	Low	161 Å²	161	127.8 Å²	127.8	83%	0.826	81%	0.806	S	S	*	*			trans	100.1	90.6	179.7	-49.5	156.6	0	0	0	114.4
182	L	51.1	Low	54.1	Low	170 Å²	170	128 Å²	128	89%	0.89	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-80.6	136.6	158.8	-68	168.6	0	0	0	109.7
183	P	55.3	Low	55.1	Low	120 Å²	120	126.1 Å²	126.1	78%	0.779	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-99.2	131	148.8	28.2	-17.6	0	0	0	110.2
184	A	53.2	Low	56.1	Low	103 Å²	103	125.9 Å²	125.9	85%	0.851	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-63.2	155.2	-179.5	0	0	0	0	0	113.8
185	G	47.1	Very low	57.2	Low	65 Å²	65	127.6 Å²	127.6	67%	0.67	80%	0.801	S	S	*	*			trans	103.2	86.5	145.3	0	0	0	0	0	116
186	R	55.6	Low	58	Low	253 Å²	253	126.8 Å²	126.8	96%	0.955	80%	0.795	S	S	*	*				173.9	101.2	129.8	-90.5	154.7	-163.6	-111.9	5.3	108.5
187	K	59.2	Low	59.1	Low	203 Å²	203	128.9 Å²	128.9	88%	0.883	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-82.4	139.1	167.1	-68.7	178.9	-179.8	179.3	0	108.2
188	P	66	Low	59.4	Low	114 Å²	114	129.8 Å²	129.8	74%	0.74	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-61.5	152.1	177.6	25.7	-33.4	0	0	0	111.5	G190	P188-G190 PolarHBondContact O-N 3.4Å
189	P	66	Low	59.1	Low	135 Å²	135	132.6 Å²	132.6	88%	0.877	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-59.5	121	-176.8	22.8	-31.8	0	0	0	110.9
190	G	69.6	Low	59	Low	61 Å²	61	132.2 Å²	132.2	63%	0.629	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-74.7	162.6	178.1	0	0	0	0	0	112.8	P188	P188-G190 PolarHBondContact O-N 3.4Å
191	P	72.8	Confident	59.2	Low	122 Å²	122	134.3 Å²	134.3	79%	0.792	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-60.3	150.8	-179.8	26.1	-33.3	0	0	0	111.6
192	P	72	Confident	58.7	Low	115 Å²	115	130.9 Å²	130.9	75%	0.747	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-58.2	144.3	-176	24.4	-34.1	0	0	0	111.4	G194	P192-G194 PolarHBondContact O-N 3.29Å
193	P	66.7	Low	58.5	Low	138 Å²	138	130 Å²	130	90%	0.896	79%	0.788	S	S	*	*			trans	-61.8	99.1	176.6	-17.4	29.7	0	0	0	110.4
194	G	64.7	Low	58.3	Low	66 Å²	66	131.8 Å²	131.8	68%	0.68	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-82	135.9	163.9	0	0	0	0	0	108.9	P192	P192-G194 PolarHBondContact O-N 3.29Å
195	T	69.4	Low	58.3	Low	135 Å²	135	134.5 Å²	134.5	83%	0.828	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-54	126.3	174.6	46.9	0	0	0	0	109.7
196	P	62.3	Low	58.2	Low	110 Å²	110	135.7 Å²	135.7	71%	0.714	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-59.6	139.8	174.6	24.4	-31.5	0	0	0	109.2	E198	P196-E198 PolarHBondContact O-N 3.37Å
197	P	65.9	Low	57.7	Low	115 Å²	115	130.2 Å²	130.2	75%	0.747	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-58	136.3	171.4	23.8	-30.3	0	0	0	109.3	L199	P197-L199 PolarHBondContact O-N 3.13Å
198	E	56.8	Low	57	Low	191 Å²	191	125 Å²	125	89%	0.893	75%	0.751	S	S	*	*			trans	-62	105.3	-175.5	-66.4	-170.6	168.7	0	0	111	P196 S200	P196-E198 PolarHBondContact O-N 3.37Å; E198-S200 PolarHBondContact O-N 2.87Å
199	L	43	Very low	56.3	Low	169 Å²	169	125.7 Å²	125.7	89%	0.885	75%	0.753	S	S	*	*			trans	-80.6	92.4	163.3	-61.9	176.9	0	0	0	106.5	P197 D201	P197-L199 PolarHBondContact O-N 3.13Å; L199-D201 PolarHBondContact O-N 3.05Å
200	S	46.4	Very low	55.2	Low	116 Å²	116	125 Å²	125	81%	0.811	74%	0.742	S	S	*	*			trans	-80.3	101.8	175.4	-170	0	0	0	0	109.7	E198	E198-S200 PolarHBondContact O-N 2.87Å
201	D	45.6	Very low	53.9	Low	159 Å²	159	129.5 Å²	129.5	85%	0.85	75%	0.752	S	S	*	*			trans	-87.1	118.3	171.4	-165.3	12.5	0	0	0	108.2	L199	L199-D201 PolarHBondContact O-N 3.05Å
202	S	43.8	Very low	52.2	Low	89 Å²	89	128.8 Å²	128.8	62%	0.622	75%	0.745	S	S	*	*			trans	-168.4	103.7	167	-160	0	0	0	0	113.4
203	E	47.4	Very low	51.1	Low	151 Å²	151	129.3 Å²	129.3	71%	0.706	75%	0.746	S	S	*	*				64.8	117.2	125.2	-58.1	177.5	-158	0	0	122.6
204	E	51.9	Low	50.3	Low	157 Å²	157	131.1 Å²	131.1	73%	0.734	74%	0.74	S	S	*	*			trans	49.9	113	132.1	-53.4	-178.8	-175.6	0	0	121.1
205	E	51.3	Low	49.4	Very low	160 Å²	160	136.9 Å²	136.9	75%	0.748	75%	0.749	S	S	*	*				164.2	125.1	118.5	-88.8	-167.7	163.3	0	0	113.9
206	D	45.3	Very low	48.5	Very low	91 Å²	91	141 Å²	141	49%	0.487	75%	0.75	S	S	.	*			trans	-59.2	149.6	169.3	-84.9	-49.1	0	0	0	113	Q257	D206-Q257 WeakPolarHBondContact OD1-CB 3.44Å
207	N	46.4	Very low	48	Very low	138 Å²	138	144.1 Å²	144.1	74%	0.738	75%	0.752	S	S	*	*			trans	-170.3	107.3	134.5	-99.6	-60	0	0	0	112.8	Q257	N207-Q257 PolarHBondContact O-NE2 3.28Å
208	S	43.8	Very low	47.7	Very low	92 Å²	92	144.4 Å²	144.4	64%	0.643	75%	0.746	S	S	*	*			trans	7.2	129.1	137.1	-168.7	0	0	0	0	119.6
209	V	50.8	Low	47.4	Very low	130 Å²	130	145.5 Å²	145.5	79%	0.788	74%	0.742	S	S	*	*				-165.1	121.4	124.4	-91.4	0	0	0	0	112.6
210	D	44	Very low	48.1	Very low	121 Å²	121	146.7 Å²	146.7	65%	0.647	74%	0.74	S	S	*	*			trans	55.5	106	137.6	-72.1	-36.7	0	0	0	122.5
211	N	41.5	Very low	48.1	Very low	155 Å²	155	145.2 Å²	145.2	83%	0.829	74%	0.735	S	S	*	*				-149.2	86.7	119.5	-111.5	-38.3	0	0	0	111.7	T213	N211-T213 VanDerWaalsContact C-N 3.3Å; N211-T213 PolarHBondContact O-N 3.35Å
212	T	37.8	Very low	48.1	Very low	107 Å²	107	145.4 Å²	145.4	66%	0.656	74%	0.736	S	S	*	*			trans	-66.9	78.9	168.8	40.5	0	0	0	0	111.3	K214	T212-K214 PolarHBondContact O-N 2.89Å
213	T	48.8	Very low	48.3	Very low	126 Å²	126	145.4 Å²	145.4	77%	0.773	74%	0.742	S	S	*	*			trans	-93.6	83.1	164.5	-30.1	0	0	0	0	110	N211 Q215	N211-T213 VanDerWaalsContact C-N 3.3Å; N211-T213 PolarHBondContact O-N 3.35Å; T213-Q215 PolarHBondContact O-N 2.95Å
214	K	49.2	Very low	48.2	Very low	175 Å²	175	145.7 Å²	145.7	76%	0.761	75%	0.748	S	S	*	*			trans	-29.3	111.1	174.1	-64	168.3	-178.6	175.7	0	113.3	T212 R216	T212-K214 PolarHBondContact O-N 2.89Å; K214-R216 VanDerWaalsContact C-N 3.35Å; K214-R216 PolarHBondContact O-N 3.25Å
215	Q	46.2	Very low	48	Very low	188 Å²	188	143.2 Å²	143.2	88%	0.879	75%	0.745	S	S	*	*			trans	-60.4	96.1	156.8	-61.1	-169.6	3.9	0	0	108.4	T213 K217	T213-Q215 PolarHBondContact O-N 2.95Å; Q215-K217 VanDerWaalsContact C-N 3.31Å; Q215-K217 PolarHBondContact O-N 2.91Å; Q215-K217 VanDerWaalsContact O-N 3.14Å
216	R	50.8	Low	48	Very low	222 Å²	222	143.4 Å²	143.4	84%	0.838	75%	0.748	S	S	*	*			trans	-81.7	86	164.8	-102.3	-178.3	-71.5	166.5	-2.7	108.3	K214 I218	K214-R216 VanDerWaalsContact C-N 3.35Å; K214-R216 PolarHBondContact O-N 3.25Å; R216-I218 PolarHBondContact O-N 3.12Å; R216-I218 VanDerWaalsContact O-N 3.15Å
217	K	51.1	Low	48.1	Very low	174 Å²	174	143.4 Å²	143.4	76%	0.757	75%	0.753	S	S	*	*			trans	-69.7	96.1	161	-170.2	161.2	-176.5	171.6	0	107.1	Q215 R219	Q215-K217 VanDerWaalsContact C-N 3.31Å; Q215-K217 PolarHBondContact O-N 2.91Å; Q215-K217 VanDerWaalsContact O-N 3.14Å; K217-R219 PolarHBondContact O-N 3.16Å; K217-R219 VanDerWaalsContact O-N 3.1Å
218	I	60	Low	48	Very low	122 Å²	122	145.1 Å²	145.1	63%	0.626	76%	0.757	S	S	*	*			trans	-74.6	99.3	174.7	-49.3	179.8	0	0	0	107	R216 F220	R216-I218 PolarHBondContact O-N 3.12Å; R216-I218 VanDerWaalsContact O-N 3.15Å; I218-F220 HydrophobicContact CB-CE2 4.37Å; I218-F220 HydrophobicContact CG2-CD2 3.68Å; I218-F220 HydrophobicContact CG2-CE1 4.16Å; I218-F220 HydrophobicContact CG2-CE2 3.26Å; I218-F220 HydrophobicContact CG2-CG 4.3Å; I218-F220 HydrophobicContact CG2-CZ 3.53Å
219	R	50.6	Low	47.8	Very low	214 Å²	214	149.3 Å²	149.3	81%	0.808	77%	0.766	S	S	*	*			trans	-82.9	114	159.5	-85.6	178.8	171.5	144.4	-5.5	106.6	K217	K217-R219 PolarHBondContact O-N 3.16Å; K217-R219 VanDerWaalsContact O-N 3.1Å
220	F	57.6	Low	47.5	Very low	193 Å²	193	151.9 Å²	151.9	85%	0.846	77%	0.77	S	S	*	*			trans	-89.4	101.4	157.9	-70.1	-74.4	0	0	0	106.4	I218	I218-F220 HydrophobicContact CB-CE2 4.37Å; I218-F220 HydrophobicContact CG2-CD2 3.68Å; I218-F220 HydrophobicContact CG2-CE1 4.16Å; I218-F220 HydrophobicContact CG2-CE2 3.26Å; I218-F220 HydrophobicContact CG2-CG 4.3Å; I218-F220 HydrophobicContact CG2-CZ 3.53Å
221	A	45.8	Very low	47.3	Very low	85 Å²	85	153.7 Å²	153.7	70%	0.702	77%	0.774	S	S	*	*			trans	-98.8	121	159.2	0	0	0	0	0	105.9
222	D	47	Very low	47.4	Very low	164 Å²	164	152.6 Å²	152.6	88%	0.877	77%	0.768	S	S	*	*			trans	-172.1	95.3	156.7	-89	-25.6	0	0	0	103.6
223	A	47.3	Very low	47.5	Very low	89 Å²	89	155 Å²	155	74%	0.736	78%	0.775	S	S	*	*				97.4	90.4	92.1	0	0	0	0	0	110.9
224	D	45.8	Very low	47.2	Very low	157 Å²	157	152.2 Å²	152.2	84%	0.84	77%	0.771	S	S	*	*				35.6	162.3	128.3	-76	-11.4	0	0	0	122.1
225	P	47.2	Very low	46.7	Very low	104 Å²	104	151.2 Å²	151.2	68%	0.675	77%	0.774	S	S	*	*			cis	-143.5	154.4	-19.1	32.9	-11.9	0	0	0	116.9
226	M	51.1	Low	46.7	Very low	164 Å²	164	147.4 Å²	147.4	81%	0.808	77%	0.768	S	S	*	*			trans	58.3	172.7	131.6	-61.3	-69	-72.5	0	0	121.5
227	P	48.4	Very low	46.2	Very low	91 Å²	91	141.7 Å²	141.7	59%	0.591	76%	0.762	S	S	*	*				-137.8	-172.3	-79	43.7	-24.8	0	0	0	112.1
228	E	43.1	Very low	45.9	Very low	175 Å²	175	141.6 Å²	141.6	82%	0.818	77%	0.769	S	S	*	*			trans	161.8	103.2	150.4	-90.5	166.5	-143.3	0	0	107.3
229	Q	40.6	Very low	44.7	Very low	179 Å²	179	144.3 Å²	144.3	84%	0.836	78%	0.779	S	S	*	*				82.4	141.6	78.9	-81	-168.4	-29.8	0	0	115.1
230	E	43.7	Very low	44.3	Very low	185 Å²	185	142.6 Å²	142.6	86%	0.864	79%	0.785	S	S	*	*			trans	84	137.9	172.2	-59.2	-176.3	160.4	0	0	117.6
231	E	39.9	Very low	43.4	Very low	159 Å²	159	136 Å²	136	74%	0.743	77%	0.771	S	S	*	*			cis	-175.7	170.6	-23.9	-107.3	-120.3	148.9	0	0	105.4
232	L	43.2	Very low	43.4	Very low	131 Å²	131	141 Å²	141	69%	0.686	78%	0.78	S	S	*	*			trans	90.9	88.6	146.8	-84.5	140.8	0	0	0	122.1
233	I	41.3	Very low	43	Very low	159 Å²	159	142.2 Å²	142.2	82%	0.815	78%	0.777	S	S	*	*				61.9	133.3	116.3	-58.5	175.2	0	0	0	121.2
234	G	40.9	Very low	42.6	Very low	67 Å²	67	148.2 Å²	148.2	69%	0.691	79%	0.787	S	S	*	*			trans	137.6	74.6	151.1	0	0	0	0	0	113.1
235	D	40.2	Very low	42.1	Very low	153 Å²	153	147.7 Å²	147.7	82%	0.818	79%	0.79	S	S	*	*				66.9	122.5	87.8	-154.6	13.5	0	0	0	115.4
236	S	45.7	Very low	41.7	Very low	109 Å²	109	146.3 Å²	146.3	76%	0.762	80%	0.795	S	S	*	*			trans	150.2	91.4	147.7	-66.5	0	0	0	0	113
237	S	40.2	Very low	40.9	Very low	101 Å²	101	141.9 Å²	141.9	71%	0.706	79%	0.791	S	S	*	*				33.1	122.3	127	-155.6	0	0	0	0	119.7
238	L	44.8	Very low	40.5	Very low	172 Å²	172	147.4 Å²	147.4	90%	0.901	81%	0.806	S	S	*	*				-174.2	129.6	101.4	-90.4	173.6	0	0	0	111.4
239	H	35.1	Very low	40.5	Very low	180 Å²	180	144.9 Å²	144.9	83%	0.833	80%	0.803	S	S	*	*			trans	-102.4	129.2	-175.4	-161.1	86.9	0	0	0	108.3
240	L	42.5	Very low	40.1	Very low	178 Å²	178	142.6 Å²	142.6	93%	0.932	80%	0.801	S	S	*	*			trans	-154.3	116.8	149.1	-160.2	62.4	0	0	0	109.4
241	G	38.5	Very low	40.2	Very low	54 Å²	54	141 Å²	141	56%	0.557	80%	0.797	S	S	*	*			trans	-110.6	167.1	178.8	0	0	0	0	0	112.5
242	E	44.3	Very low	40.3	Very low	189 Å²	189	139 Å²	139	88%	0.883	80%	0.796	S	S	*	*			trans	-170.5	98.6	151.2	-108.2	174.5	143	0	0	105.5
243	K	40.6	Very low	40.6	Very low	190 Å²	190	138.3 Å²	138.3	83%	0.826	80%	0.799	S	S	*	*				50.7	96.3	86	-66.5	-169.5	-177.5	-178.6	0	113.8
244	F	38.8	Very low	40.8	Very low	216 Å²	216	136.8 Å²	136.8	95%	0.947	80%	0.8	S	S	*	*			trans	-152.5	97.9	135.8	-107.1	-79.5	0	0	0	109.2
245	T	33.7	Very low	40.6	Very low	145 Å²	145	141.7 Å²	141.7	89%	0.89	81%	0.809	S	S	*	*			trans	-112.8	104.7	168.6	53.1	0	0	0	0	107.1
246	G	39.7	Very low	40.8	Very low	76 Å²	76	138.8 Å²	138.8	78%	0.784	80%	0.801	S	S	*	*			trans	-118.9	107.5	171.4	0	0	0	0	0	108.3
247	G	34	Very low	40.5	Very low	70 Å²	70	138.9 Å²	138.9	72%	0.722	79%	0.789	S	S	*	*			trans	-73.2	151.1	-179.8	0	0	0	0	0	112.7
248	F	40.6	Very low	41	Very low	208 Å²	208	139.2 Å²	139.2	91%	0.912	78%	0.782	S	S	*	*			trans	-136.7	142.5	148.8	-99.8	-84.3	0	0	0	109.1
249	T	41.8	Very low	41.1	Very low	122 Å²	122	136.5 Å²	136.5	75%	0.748	78%	0.775	S	S	*	*			trans	-80.1	134.7	-152.8	41	0	0	0	0	113.9	I251	T249-I251 PolarHBondContact O-N 2.95Å
250	T	33.6	Very low	42.1	Very low	130 Å²	130	135.9 Å²	135.9	80%	0.798	78%	0.777	S	S	*	*			trans	-58.8	119.1	163.1	-57	0	0	0	0	111.4
251	I	45.1	Very low	43.2	Very low	151 Å²	151	132.6 Å²	132.6	77%	0.774	77%	0.766	S	S	*	*			trans	-141.7	100.4	156.5	-53.7	-179.1	0	0	0	108.5	T249	T249-I251 PolarHBondContact O-N 2.95Å
252	T	42.4	Very low	44.4	Very low	119 Å²	119	135.5 Å²	135.5	73%	0.73	78%	0.775	S	S	*	*			trans	-74.6	149	159.4	41	0	0	0	0	109.9
253	P	49.8	Very low	45.6	Very low	115 Å²	115	132.5 Å²	132.5	75%	0.747	77%	0.772	S	S	*	*				-148.1	-165.1	114.4	45.2	-28	0	0	0	112
254	P	44.7	Very low	46.4	Very low	128 Å²	128	132.1 Å²	132.1	83%	0.831	78%	0.775	S	S	*	*				-119.1	-176.7	-111.3	24.2	2.2	0	0	0	114.9
255	L	37	Very low	46.8	Very low	169 Å²	169	126.4 Å²	126.4	89%	0.885	77%	0.768	S	S	*	*			trans	-92.1	139.7	-171.6	-167.4	85.1	0	0	0	112.9
256	S	43.8	Very low	47.7	Very low	93 Å²	93	127.4 Å²	127.4	65%	0.65	77%	0.767	S	S	*	*			trans	-179	115.8	162.4	14.1	0	0	0	0	107.2
257	Q	40.1	Very low	48.5	Very low	110 Å²	110	129.3 Å²	129.3	51%	0.514	77%	0.765	S	S	.	*				77.6	97.8	53.3	-171	168	-7.7	0	0	115	D206 N207	D206-Q257 WeakPolarHBondContact OD1-CB 3.44Å; N207-Q257 PolarHBondContact O-NE2 3.28Å
258	I	50.9	Low	49.1	Very low	108 Å²	108	131.3 Å²	131.3	55%	0.554	77%	0.768	S	S	*	*			trans	-148.8	146.3	162.3	-62.8	-175.1	0	0	0	108.8
259	P	45.8	Very low	49.7	Very low	116 Å²	116	131.3 Å²	131.3	75%	0.753	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-103.7	157.1	-145.6	36.8	-30.1	0	0	0	116.8
260	L	57.5	Low	50	Low	167 Å²	167	131.7 Å²	131.7	87%	0.874	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-94.5	150.8	176.1	-82.6	125.6	0	0	0	113
261	P	65.4	Low	50.8	Low	108 Å²	108	128 Å²	128	70%	0.701	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-72.5	161.7	-172.4	30.1	-36.4	0	0	0	114.6
262	P	64	Low	51.4	Low	116 Å²	116	128.3 Å²	128.3	75%	0.753	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-70.5	141.6	-168.9	28.4	-35.6	0	0	0	113.2	M264	P262-M264 PolarHBondContact O-N 3.43Å
263	P	68.5	Low	52	Low	125 Å²	125	129 Å²	129	81%	0.812	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-76.6	120.9	170.5	30.5	-30.3	0	0	0	109.9	A265	P263-A265 PolarHBondContact O-N 3.35Å
264	M	57.9	Low	52.1	Low	183 Å²	183	135.1 Å²	135.1	90%	0.901	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-51.4	129.1	170.2	-76.3	-85	-78.6	0	0	111.6	P262	P262-M264 PolarHBondContact O-N 3.43Å
265	A	47.5	Very low	52.6	Low	95 Å²	95	134.5 Å²	134.5	79%	0.785	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-65	131.2	175.4	0	0	0	0	0	111.6	P263	P263-A265 PolarHBondContact O-N 3.35Å
266	L	52.5	Low	53.1	Low	167 Å²	167	129.6 Å²	129.6	87%	0.874	75%	0.753	S	S	*	*			trans	-125.5	149.2	157.9	-78.6	179.5	0	0	0	109
267	P	55.2	Low	53.5	Low	116 Å²	116	135 Å²	135	75%	0.753	77%	0.765	S	S	*	*			trans	-80	146.4	-141.2	29.6	-35.4	0	0	0	114.2	F269	P267-F269 PolarHBondContact O-N 2.89Å
268	S	47	Very low	53.9	Low	112 Å²	112	136 Å²	136	78%	0.783	78%	0.781	S	S	*	*			trans	-57.1	124.3	167.5	-59.2	0	0	0	0	111.4
269	F	52.5	Low	53.9	Low	208 Å²	208	134.3 Å²	134.3	91%	0.912	79%	0.79	S	S	*	*			trans	-95	96.2	159.2	-140.9	-92.5	0	0	0	108.5	P267 G271	P267-F269 PolarHBondContact O-N 2.89Å; F269-G271 PolarHBondContact O-N 2.51Å
270	T	48.8	Very low	54.4	Low	130 Å²	130	133.8 Å²	133.8	80%	0.798	80%	0.795	S	S	*	*			trans	-69.9	115.6	163.5	51.7	0	0	0	0	108.3
271	G	51.1	Low	54.4	Low	52 Å²	52	131.2 Å²	131.2	54%	0.536	79%	0.789	S	S	.	*			trans	-175.7	82.7	178.3	0	0	0	0	0	110.5	F269	F269-G271 PolarHBondContact O-N 2.51Å
272	L	57.7	Low	53.8	Low	157 Å²	157	134.3 Å²	134.3	82%	0.822	79%	0.794	S	S	*	*				95.3	108	102	-78.9	159.9	0	0	0	112.9
273	I	53.7	Low	53.4	Low	135 Å²	135	134.1 Å²	134.1	69%	0.692	79%	0.793	S	S	*	*			trans	81	105.2	135.3	-53.9	-175	0	0	0	117.5	P275	I273-P275 HydrophobicContact CG2-CG 4.46Å; I273-P275 WeakPolarHBondContact O-CD 3.42Å
274	R	51.6	Low	52.4	Low	243 Å²	243	133.9 Å²	133.9	92%	0.917	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-76.3	118.5	153.1	-178	-176.3	-168.1	-169.4	4	108.9
275	P	55.9	Low	52.4	Low	115 Å²	115	133.9 Å²	133.9	75%	0.747	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-91.6	117.1	169.9	-5.3	24.9	0	0	0	110.3	I273	I273-P275 HydrophobicContact CG2-CG 4.46Å; I273-P275 WeakPolarHBondContact O-CD 3.42Å
276	G	47	Very low	52.5	Low	66 Å²	66	134.5 Å²	134.5	68%	0.68	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-78.8	160.9	162.7	0	0	0	0	0	111.9
277	F	53.2	Low	51.8	Low	206 Å²	206	136.6 Å²	136.6	90%	0.904	79%	0.787	S	S	*	*			trans	31.5	112.4	149.7	-101.9	-94.9	0	0	0	119.1
278	P	48.1	Very low	51.6	Low	132 Å²	132	141.1 Å²	141.1	86%	0.857	80%	0.795	S	S	*	*			trans	-93.4	122.7	162.6	33.3	-24.9	0	0	0	110.4
279	G	51.5	Low	51.6	Low	72 Å²	72	139.8 Å²	139.8	74%	0.742	78%	0.782	S	S	*	*			trans	-168.4	117.8	168	0	0	0	0	0	110.3
280	A	55.1	Low	51.6	Low	104 Å²	104	139.8 Å²	139.8	86%	0.86	78%	0.778	S	S	*	*			trans	97.9	145	170.1	0	0	0	0	0	117.6
281	P	57.6	Low	51.4	Low	113 Å²	113	142 Å²	142	73%	0.734	78%	0.779	S	S	*	*			trans	-127.3	166.5	-132.2	41.6	-26.8	0	0	0	116.7
282	Q	52.7	Low	50.8	Low	173 Å²	173	150.6 Å²	150.6	81%	0.808	80%	0.795	S	S	*	*			trans	75.1	163.3	152.8	-61.7	-122.8	-11.7	0	0	118.9
283	P	56.1	Low	50.4	Low	112 Å²	112	148.4 Å²	148.4	73%	0.727	79%	0.79	S	S	*	*			cis	-129.1	-178.5	-4.2	23.5	1.7	0	0	0	115.2
284	T	46.6	Very low	49.9	Very low	120 Å²	120	148.3 Å²	148.3	74%	0.736	80%	0.796	S	S	*	*			trans	-62.2	147	-172.7	53.9	0	0	0	0	118.7
285	L	59.6	Low	49.7	Very low	184 Å²	184	140.3 Å²	140.3	96%	0.963	79%	0.789	S	S	*	*			trans	-140	146.4	146.7	-78.1	-178.8	0	0	0	111.9
286	S	49.7	Very low	49.1	Very low	108 Å²	108	139.4 Å²	139.4	76%	0.755	79%	0.792	S	S	*	*			trans	-92.8	138.5	-158.2	-61.5	0	0	0	0	115.3
287	R	37.8	Very low	48.8	Very low	211 Å²	211	144.1 Å²	144.1	80%	0.796	80%	0.8	S	S	*	*			trans	26.8	121.1	131.7	-164.2	-179.8	-127.4	173.5	1.3	120	T289	R287-T289 HydrophobicContact CG-CG2 4.11Å
288	F	51.4	Low	48.5	Very low	210 Å²	210	142.2 Å²	142.2	92%	0.921	80%	0.798	S	S	*	*			trans	-131.2	133.8	138.5	-90.2	-83.7	0	0	0	109.9
289	T	45.4	Very low	48.2	Very low	84 Å²	84	141.2 Å²	141.2	52%	0.515	79%	0.794	S	S	.	*			trans	-120.8	139.6	-179.6	45.7	0	0	0	0	108.2	R287	R287-T289 HydrophobicContact CG-CG2 4.11Å
290	Y	52.4	Low	48.2	Very low	209 Å²	209	141.9 Å²	141.9	82%	0.82	79%	0.793	S	S	*	*			trans	168.4	145.5	152.7	-78.2	-58.8	0	0	0	105.1
291	Q	44.9	Very low	48.2	Very low	177 Å²	177	142.7 Å²	142.7	83%	0.827	79%	0.789	S	S	*	*			cis	-163.5	150.8	-9.1	-134	166.1	-33.2	0	0	104.7
292	R	39.1	Very low	48.3	Very low	232 Å²	232	142.9 Å²	142.9	88%	0.875	79%	0.79	S	S	*	*			trans	-82.3	159.7	175.9	-140.1	-177.8	176.6	-162.4	-0.2	109.5
293	P	48.6	Very low	48.3	Very low	110 Å²	110	139.8 Å²	139.8	71%	0.714	79%	0.788	S	S	*	*				-155.6	158.2	82.3	35.9	-13.6	0	0	0	118.3
294	T	43.8	Very low	48.2	Very low	134 Å²	134	142.5 Å²	142.5	82%	0.822	80%	0.795	S	S	*	*			trans	51.6	122	147	59	0	0	0	0	123.2
295	G	46.5	Very low	48.3	Very low	75 Å²	75	145.2 Å²	145.2	77%	0.773	80%	0.799	S	S	*	*			trans	141.4	141.3	152.2	0	0	0	0	0	114.8
296	A	43.3	Very low	47.7	Very low	96 Å²	96	143.9 Å²	143.9	79%	0.793	79%	0.792	S	S	*	*			trans	80.5	95.3	164.1	0	0	0	0	0	120.2
297	I	41.6	Very low	47.6	Very low	165 Å²	165	149.9 Å²	149.9	85%	0.846	80%	0.798	S	S	*	*				-2.3	131.6	122.9	-28.5	173.4	0	0	0	115
298	L	47.1	Very low	47.9	Very low	165 Å²	165	146.5 Å²	146.5	86%	0.864	80%	0.796	S	S	*	*			trans	152.6	110.2	157.1	-83.1	165.8	0	0	0	107
299	S	42.3	Very low	47.9	Very low	111 Å²	111	142 Å²	142	78%	0.776	79%	0.788	S	S	*	*				99.6	133.5	82	-170.7	0	0	0	0	112.5
300	A	50.4	Low	47.8	Very low	87 Å²	87	145.4 Å²	145.4	72%	0.719	80%	0.802	S	S	*	*			trans	80.3	113.2	161.6	0	0	0	0	0	120.5
301	P	55.4	Low	47.4	Very low	120 Å²	120	142.5 Å²	142.5	78%	0.779	80%	0.801	S	S	*	*			trans	-77.7	162.2	154.2	33.6	-30.3	0	0	0	111
302	P	58.7	Low	47.2	Very low	117 Å²	117	142.3 Å²	142.3	76%	0.76	81%	0.805	S	S	*	*			trans	-76.8	136.2	-157.2	30.7	-34.4	0	0	0	113.7	L304	P302-L304 PolarHBondContact O-N 3.38Å
303	S	53.1	Low	47.3	Very low	108 Å²	108	136.2 Å²	136.2	76%	0.755	80%	0.804	S	S	*	*			trans	-60	114.4	169	-74.6	0	0	0	0	111.3
304	L	54.7	Low	46.9	Very low	170 Å²	170	139.6 Å²	139.6	89%	0.89	81%	0.811	S	S	*	*			trans	-81.3	114.6	161.8	-70.6	175.2	0	0	0	108.4	P302 L306	P302-L304 PolarHBondContact O-N 3.38Å; L304-L306 PolarHBondContact O-N 3.11Å
305	H	48.8	Very low	46.9	Very low	177 Å²	177	141.3 Å²	141.3	82%	0.819	81%	0.814	S	S	*	*			trans	-59.5	123.6	175.1	-75.8	-132.5	0	0	0	110.2	R307	H305-R307 PolarHBondContact O-N 3.1Å
306	L	46	Very low	46.9	Very low	156 Å²	156	144.3 Å²	144.3	82%	0.817	82%	0.817	S	S	*	*			trans	-69.4	110.5	171.3	-166	66	0	0	0	107.9	L304	L304-L306 PolarHBondContact O-N 3.11Å
307	R	48.5	Very low	46.7	Very low	234 Å²	234	145.3 Å²	145.3	88%	0.883	82%	0.818	S	S	*	*			trans	-84.6	113.8	175	-123.5	-165.6	168.9	-179	-3	109.1	H305	H305-R307 PolarHBondContact O-N 3.1Å
308	D	43.7	Very low	46.6	Very low	140 Å²	140	140.8 Å²	140.8	75%	0.749	81%	0.812	S	S	*	*			trans	-59.3	141.1	166.5	-74.9	-43	0	0	0	111.4
309	P	50.8	Low	46.5	Very low	114 Å²	114	139 Å²	139	74%	0.74	81%	0.81	S	S	*	*			trans	-120.8	69.1	161.7	37.3	-22.4	0	0	0	110
310	L	44.9	Very low	46.4	Very low	156 Å²	156	137.7 Å²	137.7	82%	0.817	81%	0.807	S	S	*	*			trans	-101.3	82.8	155.5	-104.8	77.5	0	0	0	107.2
311	D	43.7	Very low	46.1	Very low	149 Å²	149	140.6 Å²	140.6	80%	0.797	82%	0.815	S	S	*	*			trans	-172.5	71.4	165.4	-95.5	-20.8	0	0	0	106.8
312	N	39.8	Very low	45.4	Very low	172 Å²	172	139.3 Å²	139.3	92%	0.92	81%	0.814	S	S	*	*			trans	-165.4	63.1	164.6	-84.1	-49.1	0	0	0	109.3
313	A	41.1	Very low	44.4	Very low	104 Å²	104	138.4 Å²	138.4	86%	0.86	81%	0.811	S	S	*	*			trans	-130.5	76.8	168.2	0	0	0	0	0	108.8
314	E	41.1	Very low	44	Very low	182 Å²	182	140.7 Å²	140.7	85%	0.85	81%	0.813	S	S	*	*			trans	-153.9	147.5	160.8	-136.6	-172.4	174.1	0	0	109.4
315	L	42.6	Very low	43.4	Very low	169 Å²	169	137.7 Å²	137.7	89%	0.885	80%	0.804	S	S	*	*			trans	86.9	69	-174.4	-70.8	136	0	0	0	117.2
316	V	48.2	Very low	42.8	Very low	139 Å²	139	135.4 Å²	135.4	84%	0.842	80%	0.802	S	S	*	*			trans	-83.7	151	143.4	165.2	0	0	0	0	109.6
317	S	37.8	Very low	42.5	Very low	117 Å²	117	135.8 Å²	135.8	82%	0.818	81%	0.805	S	S	*	*			trans	104.9	118.9	155.6	-131.1	0	0	0	0	118.9
318	G	40.3	Very low	42.1	Very low	69 Å²	69	131.9 Å²	131.9	71%	0.711	80%	0.797	S	S	*	*			trans	-87.8	-143.2	174.9	0	0	0	0	0	112.5
319	P	44.8	Very low	42.4	Very low	128 Å²	128	131.2 Å²	131.2	83%	0.831	80%	0.8	S	S	*	*			cis	-137.6	-167.9	-3	38.7	-17.6	0	0	0	114.8
320	A	40.9	Very low	42	Very low	84 Å²	84	131.9 Å²	131.9	69%	0.694	80%	0.798	S	S	*	*			trans	91	105.9	144.6	0	0	0	0	0	122.6
321	V	42.6	Very low	42.1	Very low	148 Å²	148	130.7 Å²	130.7	90%	0.897	80%	0.799	S	S	*	*			trans	58.5	148.1	130.2	-86.2	0	0	0	0	126.8
322	A	40.8	Very low	42.4	Very low	93 Å²	93	128.9 Å²	128.9	77%	0.769	80%	0.798	S	S	*	*			trans	95.4	137.7	157.5	0	0	0	0	0	117.4
323	S	38.5	Very low	42.4	Very low	98 Å²	98	124.2 Å²	124.2	69%	0.685	79%	0.791	S	S	*	*			cis	179.9	171.5	-13	45.6	0	0	0	0	108.3
324	I	44.8	Very low	42.9	Very low	155 Å²	155	125.1 Å²	125.1	80%	0.795	79%	0.786	S	S	*	*			trans	90.8	139	155.8	-52.3	163.6	0	0	0	118.2
325	P	41.8	Very low	43.3	Very low	107 Å²	107	122.4 Å²	122.4	70%	0.695	78%	0.782	S	S	*	*			cis	-141.6	176.5	-39.2	41.9	-21	0	0	0	115.5
326	T	35.4	Very low	44	Very low	130 Å²	130	121 Å²	121	80%	0.798	77%	0.774	S	S	*	*			trans	-3.5	129.7	155.7	55.2	0	0	0	0	122.1
327	N	41.4	Very low	44.4	Very low	163 Å²	163	123.2 Å²	123.2	87%	0.872	78%	0.775	S	S	*	*				-159.8	141.1	123.1	-136	-15.6	0	0	0	112.3
328	Q	39.9	Very low	45.7	Very low	152 Å²	152	121.5 Å²	121.5	71%	0.71	77%	0.768	S	S	*	*			trans	-61.1	160.2	-171.7	-63.7	-175.4	-3.9	0	0	115.3
329	P	49.6	Very low	47	Very low	126 Å²	126	127.3 Å²	127.3	82%	0.818	77%	0.774	S	S	*	*			trans	-121.8	120.1	142.4	32.8	-19.5	0	0	0	111.5
330	N	42	Very low	48.5	Very low	128 Å²	128	127.6 Å²	127.6	68%	0.684	78%	0.775	S	S	*	*			trans	-61.4	146	165.5	-77.2	-31.8	0	0	0	111.2	S332	N330-S332 PolarHBondContact O-N 3.04Å
331	P	46.6	Very low	50.1	Low	131 Å²	131	132.3 Å²	132.3	85%	0.851	78%	0.783	S	S	*	*			trans	-85.1	111.4	176.6	33.5	-28.4	0	0	0	109.2
332	S	50.3	Low	51.6	Low	112 Å²	112	133.3 Å²	133.3	78%	0.783	78%	0.782	S	S	*	*			trans	-139.3	123.3	164.3	59.7	0	0	0	0	109.3	N330	N330-S332 PolarHBondContact O-N 3.04Å
333	G	40.3	Very low	53.3	Low	74 Å²	74	137.6 Å²	137.6	76%	0.763	78%	0.784	S	S	*	*			trans	-65.4	140	-168.5	0	0	0	0	0	113.1
334	T	50.3	Low	54.7	Low	123 Å²	123	139.7 Å²	139.7	76%	0.755	79%	0.787	S	S	*	*			trans	-141.3	94.2	147.4	-57.9	0	0	0	0	106.7	I336	T334-I336 HydrophobicContact CG2-CD1 4.48Å; T334-I336 HydrophobicContact CG2-CG1 3.98Å; T334-I336 PolarHBondContact O-N 3.41Å; T334-I336 VanDerWaalsContact O-N 3.15Å
335	T	49.9	Very low	56	Low	124 Å²	124	138.9 Å²	138.9	76%	0.761	78%	0.783	S	S	*	*			trans	-63.9	103.6	169.3	-61.4	0	0	0	0	108.1	E337	T335-E337 HydrophobicContact CG2-CG 3.96Å
336	I	57.6	Low	57.4	Low	141 Å²	141	141.7 Å²	141.7	72%	0.723	79%	0.791	S	S	*	*			trans	-99.1	87.8	168.5	-56.1	178.6	0	0	0	106.9	T334 A338	T334-I336 HydrophobicContact CG2-CD1 4.48Å; T334-I336 HydrophobicContact CG2-CG1 3.98Å; T334-I336 PolarHBondContact O-N 3.41Å; T334-I336 VanDerWaalsContact O-N 3.15Å; I336-A338 VanDerWaalsContact C-N 3.35Å; I336-A338 HydrophobicContact CG2-CB 4.35Å; I336-A338 PolarHBondContact O-N 3.39Å; I336-A338 VanDerWaalsContact O-N 3.09Å
337	E	57.6	Low	58.8	Low	185 Å²	185	138.5 Å²	138.5	86%	0.864	78%	0.784	S	S	*	*			trans	-72.2	90.2	164.5	-79.9	-173.4	172.1	0	0	109	T335	T335-E337 HydrophobicContact CG2-CG 3.96Å
338	A	63.4	Low	59.7	Low	80 Å²	80	137.5 Å²	137.5	66%	0.661	78%	0.779	S	S	*	*			trans	-109.5	109	164.4	0	0	0	0	0	108.6	I336	I336-A338 VanDerWaalsContact C-N 3.35Å; I336-A338 HydrophobicContact CG2-CB 4.35Å; I336-A338 PolarHBondContact O-N 3.39Å; I336-A338 VanDerWaalsContact O-N 3.09Å
339	K	68.6	Low	60.9	Low	192 Å²	192	133.5 Å²	133.5	84%	0.835	77%	0.772	S	S	*	*			trans	-51.8	137.5	171.6	-74.4	173.5	177	166.1	0	109.7	Q341	K339-Q341 PolarHBondContact O-N 3.4Å
340	P	76.6	Confident	61.7	Low	133 Å²	133	133.4 Å²	133.4	86%	0.864	77%	0.769	S	S	*	*			trans	-61.3	110.9	178.3	22.7	-30.9	0	0	0	110.6
341	Q	74.8	Confident	62.9	Low	184 Å²	184	138.1 Å²	138.1	86%	0.86	78%	0.777	S	S	*	*			trans	-87.6	119.5	174.2	-71.2	-176.5	-10.3	0	0	110.2	K339 K343	K339-Q341 PolarHBondContact O-N 3.4Å; Q341-K343 PolarHBondContact O-N 2.74Å
342	L	73.3	Confident	63.7	Low	169 Å²	169	141.8 Å²	141.8	89%	0.885	78%	0.78	S	S	*	*			trans	-63.4	115.1	167.8	-86.5	146.6	0	0	0	109.3	N344	L342-N344 PolarHBondContact O-N 3.06Å
343	K	76.6	Confident	64.6	Low	183 Å²	183	141.1 Å²	141.1	80%	0.796	77%	0.771	S	S	*	*			trans	-74.6	122.8	170.6	-67.9	-177.3	172.5	-175.9	0	108.9	Q341 L345	Q341-K343 PolarHBondContact O-N 2.74Å; K343-L345 PolarHBondContact O-N 3.15Å
344	N	68.3	Low	66.3	Low	141 Å²	141	141.7 Å²	141.7	75%	0.754	76%	0.762	S	S	*	*			trans	-68.5	89.1	174.7	-70.9	-29.5	0	0	0	110.4	L342 I346 G347	L342-N344 PolarHBondContact O-N 3.06Å; N344-I346 PolarHBondContact O-N 3.29Å; N344-I346 VanDerWaalsContact O-N 3.07Å; N344-G347 PolarHBondContact O-N 2.76Å
345	L	71.6	Confident	67.3	Low	138 Å²	138	142.8 Å²	142.8	72%	0.723	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.3	-12	176.8	-81.1	120.4	0	0	0	114	K343 G347 D348 A349	K343-L345 PolarHBondContact O-N 3.15Å; L345-G347 PolarHBondContact O-N 2.94Å; L345-D348 PolarHBondContact O-N 3.42Å; L345-A349 PolarHBondContact O-N 3.26Å
346	I	70.7	Confident	68.1	Low	166 Å²	166	141.3 Å²	141.3	85%	0.851	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61	-26.4	176.7	-127.5	97.9	0	0	0	112	N344	N344-I346 PolarHBondContact O-N 3.29Å; N344-I346 VanDerWaalsContact O-N 3.07Å
347	G	64.7	Low	68.4	Low	64 Å²	64	140.8 Å²	140.8	66%	0.66	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-28.6	177.5	0	0	0	0	0	114.3	N344 L345	N344-G347 PolarHBondContact O-N 2.76Å; L345-G347 PolarHBondContact O-N 2.94Å
348	D	61	Low	68.8	Low	142 Å²	142	140.5 Å²	140.5	76%	0.759	76%	0.763	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	4.5	-177.4	-82.7	-12.8	0	0	0	113.1	L345 T350	L345-D348 PolarHBondContact O-N 3.42Å; D348-T350 VanDerWaalsContact C-N 3.27Å; D348-T350 PolarHBondContact O-N 2.96Å
349	A	65.4	Low	69	Low	68 Å²	68	140.7 Å²	140.7	56%	0.562	76%	0.755	S	S	*	*			trans	-65.8	88.7	169.9	0	0	0	0	0	109.6	L345 R351	L345-A349 PolarHBondContact O-N 3.26Å; A349-R351 PolarHBondContact O-N 3.02Å
350	T	66.4	Low	68.9	Low	123 Å²	123	141.2 Å²	141.2	76%	0.755	75%	0.752	S	S	*	*			trans	-44.6	106.6	164.5	20.3	0	0	0	0	108.5	D348 F352	D348-T350 VanDerWaalsContact C-N 3.27Å; D348-T350 PolarHBondContact O-N 2.96Å; T350-F352 PolarHBondContact O-N 3.13Å
351	R	67	Low	68.7	Low	227 Å²	227	143.4 Å²	143.4	86%	0.857	74%	0.743	S	S	*	*			trans	-59.1	109.5	175.8	-65.2	-170.8	-172.5	-175.7	2.4	107.3	A349 V353	A349-R351 PolarHBondContact O-N 3.02Å; R351-V353 HydrophobicContact CB-CG2 3.98Å; R351-V353 PolarHBondContact O-N 3.21Å
352	F	63.6	Low	68.6	Low	208 Å²	208	140.1 Å²	140.1	91%	0.912	73%	0.73	S	S	*	*			trans	-66.5	79.8	163.5	-96.7	-92.5	0	0	0	107.7	T350 P354	T350-F352 PolarHBondContact O-N 3.13Å; F352-P354 WeakPolarHBondContact O-CD 3.45Å
353	V	70.2	Confident	68.7	Low	98 Å²	98	135.4 Å²	135.4	59%	0.594	71%	0.708	S	S	*	*			trans	-86.8	116.4	164	-177.5	0	0	0	0	105.4	R351 T355	R351-V353 HydrophobicContact CB-CG2 3.98Å; R351-V353 PolarHBondContact O-N 3.21Å; V353-T355 VanDerWaalsContact C-N 3.34Å; V353-T355 PolarHBondContact O-N 3.04Å; V353-T355 PolarHBondContact O-OG1 3.03Å
354	P	75.2	Confident	68.6	Low	87 Å²	87	135.6 Å²	135.6	57%	0.565	70%	0.704	S	S	*	*			trans	-57	101	172.1	-20.4	31.5	0	0	0	108.5	F352 A356 L357	F352-P354 WeakPolarHBondContact O-CD 3.45Å; P354-A356 PolarHBondContact O-N 2.79Å; P354-L357 HydrophobicContact CB-CD1 3.82Å; P354-L357 HydrophobicContact CG-CD1 4.21Å
355	T	71	Confident	68.9	Low	145 Å²	145	132.7 Å²	132.7	89%	0.89	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	3.5	-177	-26.5	0	0	0	0	111.8	V353	V353-T355 VanDerWaalsContact C-N 3.34Å; V353-T355 PolarHBondContact O-N 3.04Å; V353-T355 PolarHBondContact O-OG1 3.03Å
356	A	66.3	Low	69.3	Low	94 Å²	94	133.5 Å²	133.5	78%	0.777	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-151.7	57.8	-179.8	0	0	0	0	0	112.1	P354 K358	P354-A356 PolarHBondContact O-N 2.79Å; A356-K358 PolarHBondContact O-N 3.08Å
357	L	64.4	Low	69.6	Low	129 Å²	129	129.9 Å²	129.9	68%	0.675	69%	0.689	S	S	*	*			trans	-83.9	105.9	163.7	-135.6	94.5	0	0	0	109.1	P354 V359	P354-L357 HydrophobicContact CB-CD1 3.82Å; P354-L357 HydrophobicContact CG-CD1 4.21Å; L357-V359 HydrophobicContact CD2-CG2 3.84Å; L357-V359 PolarHBondContact O-N 2.93Å
358	K	65.4	Low	70.2	Confident	180 Å²	180	129.5 Å²	129.5	78%	0.783	68%	0.684	S	S	*	*			trans	-82.3	95.8	170.3	-99	174.2	169.4	168.5	0	109.1	A356	A356-K358 PolarHBondContact O-N 3.08Å
359	V	69	Low	70.7	Confident	84 Å²	84	131.5 Å²	131.5	51%	0.509	68%	0.682	S	S	.	*			trans	-87.9	113.2	172.5	-178.7	0	0	0	0	109	L357 R361	L357-V359 HydrophobicContact CD2-CG2 3.84Å; L357-V359 PolarHBondContact O-N 2.93Å; V359-R361 HydrophobicContact CG1-CG 4.06Å
360	R	65.1	Low	71	Confident	203 Å²	203	133.4 Å²	133.4	77%	0.766	68%	0.681	S	S	*	*			trans	-90.9	108.3	165.1	-79.2	-176	-80.5	-171.9	-3.1	107.7
361	R	73.9	Confident	71.2	Confident	178 Å²	178	130.3 Å²	130.3	67%	0.672	66%	0.66	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-96.7	136	172.3	-95.3	178.6	-179.9	156.6	-0.7	109.8	V359 T372 T373	V359-R361 HydrophobicContact CG1-CG 4.06Å; R361-T372 WeakPolarHBondContact O-CA 3.49Å; R361-T373 PolarHBondContact O-N 3.47Å
362	I	71.8	Confident	71.2	Confident	116 Å²	116	123.8 Å²	123.8	60%	0.595	65%	0.645	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.7	114.3	170.1	-25.3	176	0	0	0	106	L370 I371	I362-L370 HydrophobicContact CB-CD2 4.28Å; I362-L370 HydrophobicContact CG2-CB 4.04Å; I362-L370 HydrophobicContact CG2-CD2 3.6Å; I362-L370 HydrophobicContact CG2-CG 4.4Å; I362-I371 CarbonylContact C-O 3.58Å; I362-I371 WeakPolarHBondContact CA-O 3.39Å
363	V	75.1	Confident	71.3	Confident	69 Å²	69	117.5 Å²	117.5	42%	0.418	62%	0.624	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.2	141.8	177.9	-177.3	0	0	0	0	107.4	I371	V363-I371 PolarHBondContact N-O 2.9Å; V363-I371 PolarHBondContact O-N 2.88Å
364	R	74.9	Confident	70.5	Confident	187 Å²	187	115.2 Å²	115.2	71%	0.706	62%	0.62	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87	126	168.9	-72.8	-178.1	-171.8	160.9	2	108.3	R369 L370	R364-R369 WeakPolarHBondContact CA-O 3.31Å; R364-L370 HydrophobicContact CG-CD2 3.71Å; R364-L370 HydrophobicContact CG-CG 3.99Å
365	D	74.1	Confident	68.9	Low	81 Å²	81	114.9 Å²	114.9	43%	0.433	63%	0.632	S	S	.	*			trans	-67.2	166.1	172	-124.5	-5.8	0	0	0	111	S367 G368 R369 I371	D365-S367 PolarHBondContact O-N 2.97Å; D365-G368 PolarHBondContact O-N 3.15Å; D365-R369 PolarHBondContact N-O 3.11Å; D365-I371 HydrophobicContact CB-CD1 3.67Å; D365-I371 HydrophobicContact CB-CG1 4Å; D365-I371 WeakPolarHBondContact OD1-CD1 3.36Å; D365-I371 WeakPolarHBondContact OD2-CD1 3.44Å
366	T	80.4	Confident	67.6	Low	155 Å²	155	111.7 Å²	111.7	95%	0.951	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	-19	174.1	52.2	0	0	0	0	113.6
367	S	77.4	Confident	66.3	Low	90 Å²	90	113.1 Å²	113.1	63%	0.629	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	4.9	174	59.6	0	0	0	0	114.4	D365 R369	D365-S367 PolarHBondContact O-N 2.97Å; S367-R369 VanDerWaalsContact C-N 3.27Å; S367-R369 PolarHBondContact O-N 3.44Å
368	G	75.8	Confident	65.1	Low	55 Å²	55	112.6 Å²	112.6	57%	0.567	64%	0.635	S	S	*	*	S	Bend	trans	80	-0.8	-178.9	0	0	0	0	0	114.9	D365	D365-G368 PolarHBondContact O-N 3.15Å
369	R	72.8	Confident	64	Low	185 Å²	185	108.9 Å²	108.9	70%	0.698	63%	0.627	S	S	*	*			trans	-80.3	129.8	-179.7	-161.1	175.4	-161.3	-124.1	4	111.5	R364 D365 S367 I371	R364-R369 WeakPolarHBondContact CA-O 3.31Å; D365-R369 PolarHBondContact N-O 3.11Å; S367-R369 VanDerWaalsContact C-N 3.27Å; S367-R369 PolarHBondContact O-N 3.44Å; R369-I371 PolarHBondContact O-N 3.39Å
370	L	70.9	Confident	62.5	Low	107 Å²	107	115.6 Å²	115.6	56%	0.56	65%	0.645	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-70.2	120.9	170.8	-77.8	155.8	0	0	0	110.1	I362 R364	I362-L370 HydrophobicContact CB-CD2 4.28Å; I362-L370 HydrophobicContact CG2-CB 4.04Å; I362-L370 HydrophobicContact CG2-CD2 3.6Å; I362-L370 HydrophobicContact CG2-CG 4.4Å; R364-L370 HydrophobicContact CG-CD2 3.71Å; R364-L370 HydrophobicContact CG-CG 3.99Å
371	I	70.7	Confident	61.4	Low	59 Å²	59	109.7 Å²	109.7	30%	0.303	65%	0.647	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.2	135.2	175	-3.9	165.9	0	0	0	109.4	I362 V363 D365 R369	I362-I371 CarbonylContact C-O 3.58Å; I362-I371 WeakPolarHBondContact CA-O 3.39Å; V363-I371 PolarHBondContact N-O 2.9Å; V363-I371 PolarHBondContact O-N 2.88Å; D365-I371 HydrophobicContact CB-CD1 3.67Å; D365-I371 HydrophobicContact CB-CG1 4Å; D365-I371 WeakPolarHBondContact OD1-CD1 3.36Å; D365-I371 WeakPolarHBondContact OD2-CD1 3.44Å; R369-I371 PolarHBondContact O-N 3.39Å
372	T	67.6	Low	59.6	Low	90 Å²	90	108.2 Å²	108.2	55%	0.552	66%	0.658	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.8	114.6	171.4	-69.4	0	0	0	0	109.1	R361	R361-T372 WeakPolarHBondContact O-CA 3.49Å
373	T	65.3	Low	58.1	Low	76 Å²	76	107.5 Å²	107.5	47%	0.466	67%	0.669	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.8	116.9	172.1	55.1	0	0	0	0	108.9	R361	R361-T373 PolarHBondContact O-N 3.47Å
374	G	53	Low	56.5	Low	50 Å²	50	113.8 Å²	113.8	52%	0.515	69%	0.691	S	S	.	*			trans	125.3	100.6	166.2	0	0	0	0	0	115.7
375	G	41.1	Very low	55	Low	79 Å²	79	113.3 Å²	113.3	81%	0.814	70%	0.697	S	S	*	*			trans	165.3	88.8	168.9	0	0	0	0	0	113.2
376	G	44.1	Very low	53.6	Low	78 Å²	78	114.4 Å²	114.4	80%	0.804	71%	0.708	S	S	*	*			trans	-158.5	117.6	174.6	0	0	0	0	0	112.1
377	T	39.2	Very low	51.8	Low	124 Å²	124	114.7 Å²	114.7	76%	0.761	70%	0.704	S	S	*	*			trans	-77.6	134.4	170.5	48.5	0	0	0	0	109.5
378	S	39.9	Very low	50.1	Low	118 Å²	118	114.4 Å²	114.4	83%	0.825	71%	0.707	S	S	*	*			trans	-133.4	118.3	161.3	-162.9	0	0	0	0	110.3
379	V	42.1	Very low	48.4	Very low	102 Å²	102	118.8 Å²	118.8	62%	0.618	72%	0.723	S	S	*	*			trans	-88.7	154.1	167.2	-172.8	0	0	0	0	106.3
380	Y	37.9	Very low	47.3	Very low	226 Å²	226	119.7 Å²	119.7	89%	0.886	73%	0.727	S	S	*	*			trans	83.7	127.7	174.4	-49	-75.3	0	0	0	117.2
381	G	40.7	Very low	45.8	Very low	79 Å²	79	121.1 Å²	121.1	81%	0.814	74%	0.735	S	S	*	*			trans	151.3	77.3	167.1	0	0	0	0	0	113.9
382	T	36.3	Very low	44.4	Very low	147 Å²	147	130.1 Å²	130.1	90%	0.902	77%	0.766	S	S	*	*			trans	-68.7	121.1	167	46.7	0	0	0	0	110.8
383	A	40.1	Very low	43.1	Very low	100 Å²	100	131.6 Å²	131.6	83%	0.826	77%	0.774	S	S	*	*			trans	-156.3	113.4	160.8	0	0	0	0	0	112.8
384	K	42.9	Very low	41.9	Very low	201 Å²	201	132 Å²	132	87%	0.874	79%	0.785	S	S	*	*			trans	3.6	124	152.9	-59.3	174.8	178.5	179.9	0	120.4
385	Q	43.8	Very low	41.3	Very low	177 Å²	177	139.3 Å²	139.3	83%	0.827	80%	0.803	S	S	*	*				51.2	164.5	125.9	-57.7	-69.2	1.2	0	0	121.1
386	P	44.6	Very low	41.2	Very low	105 Å²	105	139.8 Å²	139.8	68%	0.682	79%	0.793	S	S	*	*			cis	-130.4	170.1	-43.9	34.5	-17.3	0	0	0	113.3
387	N	41.8	Very low	41	Very low	161 Å²	161	143.4 Å²	143.4	86%	0.861	80%	0.795	S	S	*	*			trans	-6	125.2	165.6	-69.9	-21.6	0	0	0	119.8
388	A	42.3	Very low	41	Very low	83 Å²	83	143.1 Å²	143.1	69%	0.686	79%	0.793	S	S	*	*			trans	-128.7	118.6	150.7	0	0	0	0	0	109.1	Y390	A388-Y390 HydrophobicContact CB-CD1 4.4Å; A388-Y390 HydrophobicContact CB-CE1 4.42Å
389	V	39.3	Very low	41.1	Very low	148 Å²	148	144.5 Å²	144.5	90%	0.897	80%	0.796	S	S	*	*			trans	-95.9	121.3	172.4	171.3	0	0	0	0	107.2
390	Y	48.9	Very low	40.8	Very low	203 Å²	203	143.1 Å²	143.1	80%	0.796	80%	0.802	S	S	*	*			trans	-155.7	151.6	165.6	58.3	-93.3	0	0	0	104.5	A388	A388-Y390 HydrophobicContact CB-CD1 4.4Å; A388-Y390 HydrophobicContact CB-CE1 4.42Å
391	D	40.8	Very low	40.9	Very low	137 Å²	137	140.8 Å²	140.8	73%	0.733	80%	0.804	S	S	*	*			cis	-161.3	134.2	-22.8	-169.3	-4	0	0	0	101.6
392	R	39.9	Very low	40.9	Very low	249 Å²	249	144 Å²	144	94%	0.94	80%	0.802	S	S	*	*			trans	-109.5	104.5	177.7	-95.9	-166.4	-167.6	175.5	5	108.4
393	V	42.1	Very low	40.9	Very low	121 Å²	121	142.7 Å²	142.7	73%	0.733	80%	0.799	S	S	*	*			trans	-111.2	111.6	160.2	-79.4	0	0	0	0	107.4
394	A	39.6	Very low	41	Very low	83 Å²	83	141.1 Å²	141.1	69%	0.686	79%	0.792	S	S	*	*				72.8	110.9	97.6	0	0	0	0	0	111.2
395	K	39.9	Very low	41.1	Very low	204 Å²	204	136.3 Å²	136.3	89%	0.887	78%	0.784	S	S	*	*				66.7	137.5	104.7	-84.6	177.5	168.8	177.7	0	111.6
396	S	39.1	Very low	41.1	Very low	89 Å²	89	133 Å²	133	62%	0.622	79%	0.787	S	S	*	*			cis	169.5	133.5	0.9	40.7	0	0	0	0	102.2
397	D	39.2	Very low	41.8	Very low	155 Å²	155	133 Å²	133	83%	0.829	79%	0.785	S	S	*	*			trans	-169.1	106	152.4	-89.3	-31.9	0	0	0	108.5
398	T	40.4	Very low	43.3	Very low	117 Å²	117	128.4 Å²	128.4	72%	0.718	77%	0.766	S	S	*	*				81.8	92.4	80.8	-53.6	0	0	0	0	112.6
399	T	40.9	Very low	45	Very low	148 Å²	148	133.5 Å²	133.5	91%	0.908	77%	0.773	S	S	*	*			trans	165.7	115.5	142.3	33.9	0	0	0	0	106.3
400	G	37	Very low	47	Very low	72 Å²	72	131.9 Å²	131.9	74%	0.742	76%	0.759	S	S	*	*			cis	119.9	55.2	19.3	0	0	0	0	0	110.6
401	I	39.8	Very low	48.7	Very low	178 Å²	178	126 Å²	126	91%	0.913	74%	0.741	S	S	*	*			trans	-139.8	135.9	161.8	-67	175.7	0	0	0	109.1
402	N	40.3	Very low	50.7	Low	146 Å²	146	122.2 Å²	122.2	78%	0.781	73%	0.729	S	S	*	*			trans	-81.4	149.9	-159.9	-81.7	-28.7	0	0	0	115.4
403	S	36.9	Very low	53.2	Low	119 Å²	119	117.2 Å²	117.2	83%	0.832	71%	0.711	S	S	*	*			trans	32.3	133.6	136.5	69.3	0	0	0	0	121.5
404	G	41.1	Very low	55.4	Low	67 Å²	67	116.8 Å²	116.8	69%	0.691	70%	0.701	S	S	*	*			trans	155.6	110.6	143.3	0	0	0	0	0	114.9
405	S	45.2	Very low	57.7	Low	101 Å²	101	119.1 Å²	119.1	71%	0.706	70%	0.698	S	S	*	*			trans	42.1	120.3	147.5	51.8	0	0	0	0	119.7	T407	S405-T407 PolarHBondContact O-N 2.86Å
406	A	45.1	Very low	60	Low	108 Å²	108	114.8 Å²	114.8	89%	0.893	68%	0.679	S	S	*	*			trans	-53.8	100.3	161.6	0	0	0	0	0	110	S408	A406-S408 PolarHBondContact O-N 3.36Å
407	T	59.3	Low	62.5	Low	104 Å²	104	115 Å²	115	64%	0.638	67%	0.671	S	S	*	*			trans	-61.6	115.3	177.1	50.2	0	0	0	0	108.6	S405	S405-T407 PolarHBondContact O-N 2.86Å
408	S	72.1	Confident	64.8	Low	65 Å²	65	115.1 Å²	115.1	46%	0.455	66%	0.66	S	S	.	*			trans	-61.6	154.8	171.9	-175.6	0	0	0	0	109.3	A406 D410 D411 A412	A406-S408 PolarHBondContact O-N 3.36Å; S408-D410 PolarHBondContact O-N 2.83Å; S408-D410 VanDerWaalsContact O-N 3.09Å; S408-D411 WeakPolarHBondContact O-CB 3.44Å; S408-D411 PolarHBondContact O-N 3.16Å; S408-A412 PolarHBondContact O-N 3.09Å
409	K	77.2	Confident	67	Low	190 Å²	190	116.2 Å²	116.2	83%	0.826	66%	0.657	S	S	*	*	H	α-helix	trans	-55.3	-27.9	174.8	-83.6	-178.5	175.7	174.8	0	112.7	Y413	K409-Y413 PolarHBondContact O-N 2.91Å
410	D	82.3	Confident	69.1	Low	113 Å²	113	113.8 Å²	113.8	60%	0.604	64%	0.637	S	S	*	*	H	α-helix	trans	-71.1	-35.5	177.3	-68	-20.2	0	0	0	112.2	S408 A412 Y413 E414	S408-D410 PolarHBondContact O-N 2.83Å; S408-D410 VanDerWaalsContact O-N 3.09Å; D410-A412 VanDerWaalsContact C-N 3.32Å; D410-A412 PolarHBondContact O-N 3.27Å; D410-Y413 PolarHBondContact O-N 3.22Å; D410-Y413 VanDerWaalsContact O-N 3.15Å; D410-E414 PolarHBondContact O-N 3.19Å
411	D	85.6	Confident	71.3	Confident	81 Å²	81	117.9 Å²	117.9	43%	0.433	64%	0.636	S	S	.	*	H	α-helix	trans	-61.5	-41.8	174.6	-82.7	-22.5	0	0	0	111.2	S408 Y413 E414 E415	S408-D411 WeakPolarHBondContact O-CB 3.44Å; S408-D411 PolarHBondContact O-N 3.16Å; D411-Y413 VanDerWaalsContact C-N 3.3Å; D411-Y413 PolarHBondContact O-N 3.02Å; D411-E414 PolarHBondContact O-N 3.01Å; D411-E415 WeakPolarHBondContact O-CB 3.45Å; D411-E415 PolarHBondContact O-N 2.93Å
412	A	82.7	Confident	73.1	Confident	57 Å²	57	112.3 Å²	112.3	47%	0.471	62%	0.623	S	S	.	*	H	α-helix	trans	-67.3	-31.4	178	0	0	0	0	0	112.3	S408 D410 F416	S408-A412 PolarHBondContact O-N 3.09Å; D410-A412 VanDerWaalsContact C-N 3.32Å; D410-A412 PolarHBondContact O-N 3.27Å; A412-F416 WeakPolarHBondContact O-CB 3.11Å; A412-F416 PolarHBondContact O-N 2.95Å
413	Y	91.1	Very high	74.8	Confident	143 Å²	143	112 Å²	112	56%	0.561	62%	0.62	S	S	*	*	H	α-helix	trans	-72.1	-42.7	174.1	-177.9	-99.5	0	0	0	111.3	K409 D410 D411 E415 F416 M417	K409-Y413 PolarHBondContact O-N 2.91Å; D410-Y413 PolarHBondContact O-N 3.22Å; D410-Y413 VanDerWaalsContact O-N 3.15Å; D411-Y413 VanDerWaalsContact C-N 3.3Å; D411-Y413 PolarHBondContact O-N 3.02Å; Y413-E415 PolarHBondContact O-N 2.98Å; Y413-F416 PolarHBondContact O-N 2.89Å; Y413-M417 HydrophobicContact CD1-CG 4.06Å; Y413-M417 HydrophobicContact CE1-CE 4.39Å; Y413-M417 HydrophobicContact CE1-CG 3.68Å; Y413-M417 HydrophobicContact CE1-SD 4.35Å; Y413-M417 HydrophobicContact CE2-CG 4.22Å; Y413-M417 HydrophobicContact CE2-SD 4.22Å; Y413-M417 HydrophobicContact CG-CG 4.48Å; Y413-M417 VanDerWaalsContact O-CG 3.26Å; Y413-M417 WeakPolarHBondContact O-CG 3.36Å; Y413-M417 PolarHBondContact O-N 2.95Å; Y413-M417 WeakPolarHBondContact OH-CE 3.49Å
414	E	89.6	Confident	76.1	Confident	113 Å²	113	116.5 Å²	116.5	53%	0.528	63%	0.633	S	S	.	*	H	α-helix	trans	-63.8	-39.2	176	-72.3	-168.9	-174.3	0	0	112.6	D410 D411 M417 R418	D410-E414 PolarHBondContact O-N 3.19Å; D411-E414 PolarHBondContact O-N 3.01Å; E414-M417 PolarHBondContact O-N 3.49Å; E414-R418 WeakPolarHBondContact O-CB 3.42Å; E414-R418 PolarHBondContact O-N 2.96Å
415	E	87.2	Confident	77.8	Confident	131 Å²	131	119 Å²	119	61%	0.612	63%	0.63	S	S	*	*	H	α-helix	trans	-63.7	-43.7	175.7	-168	173.2	-158.2	0	0	111.6	D411 Y413 R418 E419	D411-E415 WeakPolarHBondContact O-CB 3.45Å; D411-E415 PolarHBondContact O-N 2.93Å; Y413-E415 PolarHBondContact O-N 2.98Å; E415-R418 PolarHBondContact O-N 3.36Å; E415-E419 PolarHBondContact O-N 3.14Å
416	F	88.1	Confident	79.5	Confident	114 Å²	114	119.9 Å²	119.9	50%	0.5	63%	0.626	S	S	.	*	H	α-helix	trans	-63.2	-43.3	175.4	176.7	-101.5	0	0	0	112.6	A412 Y413 R418 E419 M420	A412-F416 WeakPolarHBondContact O-CB 3.11Å; A412-F416 PolarHBondContact O-N 2.95Å; Y413-F416 PolarHBondContact O-N 2.89Å; F416-R418 VanDerWaalsContact C-N 3.29Å; F416-R418 PolarHBondContact O-N 3.28Å; F416-E419 PolarHBondContact O-N 3.48Å; F416-M420 HydrophobicContact CD1-CG 4.37Å; F416-M420 HydrophobicContact CD2-CG 4.47Å; F416-M420 HydrophobicContact CE1-CG 3.9Å; F416-M420 HydrophobicContact CE2-CG 4.02Å; F416-M420 HydrophobicContact CE2-SD 4.24Å; F416-M420 HydrophobicContact CZ-CG 3.72Å; F416-M420 HydrophobicContact CZ-SD 4.03Å; F416-M420 WeakPolarHBondContact O-CG 3.42Å; F416-M420 PolarHBondContact O-N 2.98Å
417	M	90.6	Very high	81.4	Confident	92 Å²	92	120.6 Å²	120.6	45%	0.453	61%	0.611	S	S	.	*	H	α-helix	trans	-65.6	-34.8	177.9	-66.1	-64.2	-90.4	0	0	111.5	Y413 E414 E421	Y413-M417 HydrophobicContact CD1-CG 4.06Å; Y413-M417 HydrophobicContact CE1-CE 4.39Å; Y413-M417 HydrophobicContact CE1-CG 3.68Å; Y413-M417 HydrophobicContact CE1-SD 4.35Å; Y413-M417 HydrophobicContact CE2-CG 4.22Å; Y413-M417 HydrophobicContact CE2-SD 4.22Å; Y413-M417 HydrophobicContact CG-CG 4.48Å; Y413-M417 VanDerWaalsContact O-CG 3.26Å; Y413-M417 WeakPolarHBondContact O-CG 3.36Å; Y413-M417 PolarHBondContact O-N 2.95Å; Y413-M417 WeakPolarHBondContact OH-CE 3.49Å; E414-M417 PolarHBondContact O-N 3.49Å; M417-E421 PolarHBondContact O-N 3.49Å
418	R	87.4	Confident	82.7	Confident	159 Å²	159	121.6 Å²	121.6	60%	0.6	61%	0.61	S	S	*	*	H	α-helix	trans	-70.4	-37.8	176.3	-161.6	-175.6	-60.5	125.4	2.4	112.6	E414 E415 F416 E421	E414-R418 WeakPolarHBondContact O-CB 3.42Å; E414-R418 PolarHBondContact O-N 2.96Å; E415-R418 PolarHBondContact O-N 3.36Å; F416-R418 VanDerWaalsContact C-N 3.29Å; F416-R418 PolarHBondContact O-N 3.28Å; R418-E421 PolarHBondContact O-N 2.89Å
419	E	87.4	Confident	83.4	Confident	139 Å²	139	125.1 Å²	125.1	65%	0.65	62%	0.62	S	S	*	*	H	α-helix	trans	-67.5	-39.2	174.8	-173.1	173.9	-173.8	0	0	111.7	E415 F416 E421 G422	E415-E419 PolarHBondContact O-N 3.14Å; F416-E419 PolarHBondContact O-N 3.48Å; E419-E421 VanDerWaalsContact C-N 3.27Å; E419-E421 PolarHBondContact O-N 3.15Å; E419-G422 PolarHBondContact O-N 3.15Å
420	M	86	Confident	83.8	Confident	98 Å²	98	120.8 Å²	120.8	48%	0.483	61%	0.606	S	S	.	*	H	α-helix	trans	-65.8	-27.7	177	-73.7	-62.8	-57.2	0	0	113.4	F416 G422 L423	F416-M420 HydrophobicContact CD1-CG 4.37Å; F416-M420 HydrophobicContact CD2-CG 4.47Å; F416-M420 HydrophobicContact CE1-CG 3.9Å; F416-M420 HydrophobicContact CE2-CG 4.02Å; F416-M420 HydrophobicContact CE2-SD 4.24Å; F416-M420 HydrophobicContact CZ-CG 3.72Å; F416-M420 HydrophobicContact CZ-SD 4.03Å; F416-M420 WeakPolarHBondContact O-CG 3.42Å; F416-M420 PolarHBondContact O-N 2.98Å; M420-G422 VanDerWaalsContact C-N 3.28Å; M420-G422 PolarHBondContact O-N 3.1Å; M420-L423 PolarHBondContact O-N 3.45Å
421	E	82.6	Confident	83.9	Confident	157 Å²	157	121.4 Å²	121.4	73%	0.734	61%	0.606	S	S	*	*	H	α-helix	trans	-74.2	-18.6	179	-155.1	169.7	-159.9	0	0	112.7	M417 R418 E419	M417-E421 PolarHBondContact O-N 3.49Å; R418-E421 PolarHBondContact O-N 2.89Å; E419-E421 VanDerWaalsContact C-N 3.27Å; E419-E421 PolarHBondContact O-N 3.15Å
422	G	78	Confident	83.8	Confident	61 Å²	61	124.5 Å²	124.5	63%	0.629	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	2.1	176.3	0	0	0	0	0	115.4	E419 M420	E419-G422 PolarHBondContact O-N 3.15Å; M420-G422 VanDerWaalsContact C-N 3.28Å; M420-G422 PolarHBondContact O-N 3.1Å
423	L	75	Confident	83.9	Confident	139 Å²	139	130.1 Å²	130.1	73%	0.728	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101	8.1	-178	-108.2	75	0	0	0	114.3	M420	M420-L423 PolarHBondContact O-N 3.45Å
424	I	63.8	Low	83.2	Confident	215 Å²	215	128.9 Å²	128.9	100%	1.103	64%	0.638	S	S	*	*			trans	-117	0	170.3	-59.4	174.4	0	0	0	107.6

Retrieved 424 of 424 residues in 529.5 ms (Link to these results)

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