X6RF29_HUMAN Loading...

Exonuclease V

AlphaFold DB , UniProt , Accession X6RF29, Species HUMAN (Homo sapiens, Human), Gene EXO5, Length 226 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	40.1	Very low	33.2	Very low	250 Å²	250	163.5 Å²	163.5	100%	1.232	85%	0.851	S	S	*	*				0	110.2	0	-82.7	176	163.8	0	0	106.2
2	A	38.1	Very low	33	Very low	100 Å²	100	157 Å²	157	83%	0.826	84%	0.839	S	S	*	*			trans	-85.1	132.9	177.2	0	0	0	0	0	107.8
3	E	36.1	Very low	33	Very low	198 Å²	198	159.1 Å²	159.1	93%	0.925	84%	0.84	S	S	*	*			trans	-121.8	103.1	165.3	-116	176.4	174	0	0	107
4	T	32.5	Very low	32.6	Very low	123 Å²	123	154.3 Å²	154.3	76%	0.755	84%	0.835	S	S	*	*			trans	-69.8	119.4	171	38.6	0	0	0	0	108.5	E6	T4-E6 PolarHBondContact O-N 3.44Å
5	R	33.2	Very low	32.7	Very low	246 Å²	246	150.9 Å²	150.9	93%	0.928	83%	0.827	S	S	*	*			trans	-85.2	110.2	168.7	-167.1	175.1	-177.6	168.2	-0.5	107.2	E7	R5-E7 PolarHBondContact O-N 3.27Å
6	E	33.9	Very low	32.3	Very low	179 Å²	179	144.4 Å²	144.4	84%	0.836	81%	0.806	S	S	*	*			trans	-62.7	122.1	177.5	-66.9	174.1	162.1	0	0	109.4	T4 E8	T4-E6 PolarHBondContact O-N 3.44Å; E6-E8 PolarHBondContact O-N 3.13Å
7	E	32.1	Very low	32.6	Very low	181 Å²	181	143 Å²	143	85%	0.846	79%	0.789	S	S	*	*			trans	-73	110.6	162.4	-84.9	179.1	149.7	0	0	107.3	R5 T9	R5-E7 PolarHBondContact O-N 3.27Å; E7-T9 VanDerWaalsContact C-N 3.33Å; E7-T9 PolarHBondContact O-N 3.05Å
8	E	30.3	Very low	32.6	Very low	182 Å²	182	136.6 Å²	136.6	85%	0.85	76%	0.756	S	S	*	*			trans	-75.2	90	171.6	-151.3	172.6	-163.4	0	0	107.7	E6 V10	E6-E8 PolarHBondContact O-N 3.13Å; E8-V10 PolarHBondContact O-N 3.36Å
9	T	29.2	Very low	32.8	Very low	117 Å²	117	134.4 Å²	134.4	72%	0.718	74%	0.743	S	S	*	*			trans	-69.7	93.4	170.6	51.9	0	0	0	0	108.6	E7 S11	E7-T9 VanDerWaalsContact C-N 3.33Å; E7-T9 PolarHBondContact O-N 3.05Å; T9-S11 PolarHBondContact O-N 3.5Å; T9-S11 VanDerWaalsContact O-N 3.09Å
10	V	28.5	Very low	32.9	Very low	122 Å²	122	130.7 Å²	130.7	74%	0.739	72%	0.722	S	S	*	*			trans	-73.7	96.8	165.9	179.8	0	0	0	0	107.2	E8 A12	E8-V10 PolarHBondContact O-N 3.36Å; V10-A12 VanDerWaalsContact C-N 3.34Å; V10-A12 PolarHBondContact O-N 2.93Å
11	S	31.2	Very low	33.6	Very low	101 Å²	101	126.8 Å²	126.8	71%	0.706	70%	0.704	S	S	*	*			trans	-62	97.3	164.6	-65.6	0	0	0	0	108.4	T9 E13	T9-S11 PolarHBondContact O-N 3.5Å; T9-S11 VanDerWaalsContact O-N 3.09Å; S11-E13 VanDerWaalsContact C-N 3.3Å; S11-E13 PolarHBondContact O-N 3.09Å; S11-E13 VanDerWaalsContact O-N 3.11Å
12	A	31.5	Very low	33.8	Very low	85 Å²	85	116 Å²	116	70%	0.702	65%	0.651	S	S	*	*			trans	-76.9	86.7	166	0	0	0	0	0	108	V10 A14	V10-A12 VanDerWaalsContact C-N 3.34Å; V10-A12 PolarHBondContact O-N 2.93Å; A12-A14 PolarHBondContact O-N 2.79Å
13	E	32.1	Very low	34.1	Very low	184 Å²	184	111.9 Å²	111.9	86%	0.86	62%	0.616	S	S	*	*			trans	-71.2	77.2	158.4	-68.2	-168.5	157.9	0	0	107.6	S11 S15	S11-E13 VanDerWaalsContact C-N 3.3Å; S11-E13 PolarHBondContact O-N 3.09Å; S11-E13 VanDerWaalsContact O-N 3.11Å; E13-S15 VanDerWaalsContact C-N 3.33Å; E13-S15 PolarHBondContact O-N 3.34Å
14	A	28.3	Very low	34.4	Very low	92 Å²	92	104.2 Å²	104.2	76%	0.76	58%	0.58	S	S	*	*			trans	-80.1	87	166.6	0	0	0	0	0	107.3	A12 G16	A12-A14 PolarHBondContact O-N 2.79Å; A14-G16 PolarHBondContact O-N 3.23Å
15	S	32.9	Very low	34.8	Very low	103 Å²	103	103 Å²	103	72%	0.72	57%	0.565	S	S	*	*			trans	-71.2	78.5	162.1	59.5	0	0	0	0	108	E13 F17	E13-S15 VanDerWaalsContact C-N 3.33Å; E13-S15 PolarHBondContact O-N 3.34Å; S15-F17 PolarHBondContact O-N 3.22Å
16	G	27.5	Very low	35.1	Very low	47 Å²	47	91.8 Å²	91.8	49%	0.485	52%	0.523	S	S	.	.			trans	-75.2	114.1	176.5	0	0	0	0	0	110.2	A14 S18	A14-G16 PolarHBondContact O-N 3.23Å; G16-S18 VanDerWaalsContact C-N 3.3Å; G16-S18 PolarHBondContact O-N 3.25Å
17	F	36.4	Very low	35.6	Very low	121 Å²	121	87.2 Å²	87.2	53%	0.531	50%	0.502	S	S	.	.	S	Bend	trans	-76.3	74.3	178.9	-93.9	-86	0	0	0	112.2	S15 F28	S15-F17 PolarHBondContact O-N 3.22Å; F17-F28 HydrophobicContact CD1-CE1 4.36Å; F17-F28 AromaticContact CE1-CD1 3.83Å; F17-F28 HydrophobicContact CE1-CD1 3.83Å; F17-F28 HydrophobicContact CE1-CD2 4.06Å; F17-F28 AromaticContact CE1-CE1 3.4Å; F17-F28 HydrophobicContact CE1-CE1 3.4Å; F17-F28 AromaticContact CE1-CE2 3.65Å; F17-F28 HydrophobicContact CE1-CE2 3.65Å; F17-F28 HydrophobicContact CE1-CG 4.16Å; F17-F28 AromaticContact CE1-CZ 3.31Å; F17-F28 HydrophobicContact CE1-CZ 3.31Å; F17-F28 AromaticContact CZ-CE1 3.83Å; F17-F28 HydrophobicContact CZ-CE1 3.83Å; F17-F28 AromaticContact CZ-CE2 3.88Å; F17-F28 HydrophobicContact CZ-CE2 3.88Å; F17-F28 AromaticContact CZ-CZ 3.38Å; F17-F28 HydrophobicContact CZ-CZ 3.38Å
18	S	33.7	Very low	35.7	Very low	28 Å²	28	83.2 Å²	83.2	20%	0.196	48%	0.482	C	S	.	.			trans	-143.8	9.8	173.7	47.4	0	0	0	0	112.6	G16 L122	G16-S18 VanDerWaalsContact C-N 3.3Å; G16-S18 PolarHBondContact O-N 3.25Å; S18-L122 WeakPolarHBondContact OG-CD1 3.31Å; S18-L122 WeakPolarHBondContact OG-CD2 3.06Å
19	D	35.3	Very low	35.9	Very low	94 Å²	94	76.4 Å²	76.4	50%	0.503	45%	0.451	S	S	.	.			trans	-63.3	153.1	156.2	-61.3	-29.6	0	0	0	106.3
20	L	34.4	Very low	36.4	Very low	61 Å²	61	74 Å²	74	32%	0.319	43%	0.434	S	S	.	.			trans	110.2	115	163.1	-48.3	160.9	0	0	0	115.1	E24 F25 F28	L20-E24 WeakPolarHBondContact CA-OE2 3.45Å; L20-E24 HydrophobicContact CB-CB 3.39Å; L20-E24 VanDerWaalsContact CD1-O 3.31Å; L20-E24 WeakPolarHBondContact CD1-O 3.37Å; L20-E24 HydrophobicContact CD2-CB 3.49Å; L20-E24 VanDerWaalsContact CD2-CB 3.49Å; L20-E24 HydrophobicContact CD2-CG 4.43Å; L20-E24 HydrophobicContact CG-CB 3.95Å; L20-F25 VanDerWaalsContact CB-CA 3.42Å; L20-F25 HydrophobicContact CB-CB 3.97Å; L20-F28 HydrophobicContact CD1-CB 3.77Å
21	S	48	Very low	36.9	Very low	48 Å²	48	73.5 Å²	73.5	34%	0.336	43%	0.426	S	S	.	.			trans	-49.1	159.3	160.8	155.6	0	0	0	0	111.8	S23 E24 F25	S21-S23 CarbonylContact O-C 3.28Å; S21-S23 PolarHBondContact O-N 2.89Å; S21-E24 PolarHBondContact N-OE2 2.98Å; S21-E24 VanDerWaalsContact N-OE2 3.13Å; S21-E24 CarbonylContact O-C 3.52Å; S21-E24 WeakPolarHBondContact O-CA 3.43Å; S21-E24 PolarHBondContact O-N 3.19Å; S21-F25 PolarHBondContact O-N 3.35Å
22	D	44.3	Very low	37.4	Very low	25 Å²	25	74.2 Å²	74.2	13%	0.134	42%	0.419	C	S	.	.	H	α-helix	trans	-35	-44.9	175	-87.2	-22.7	0	0	0	114	T84 V180 Y221	D22-T84 PolarHBondContact OD2-OG1 2.9Å; D22-V180 WeakPolarHBondContact OD1-CB 3.23Å; D22-V180 WeakPolarHBondContact OD1-CG2 3.33Å; D22-V180 PolarHBondContact OD1-N 3.23Å; D22-V180 VanDerWaalsContact OD1-N 3.1Å; D22-Y221 PolarHBondContact OD2-OH 3.25Å
23	S	44	Very low	37.9	Very low	13 Å²	13	72.9 Å²	72.9	9%	0.091	40%	0.4	C	S	.	.	H	α-helix	trans	-76.8	-34.1	179.9	-42.1	0	0	0	0	113.8	S21 E27 D85	S21-S23 CarbonylContact O-C 3.28Å; S21-S23 PolarHBondContact O-N 2.89Å; S23-E27 WeakPolarHBondContact O-CG 3.48Å; S23-E27 PolarHBondContact O-N 3.39Å; S23-E27 VanDerWaalsContact O-N 3.09Å; S23-D85 WeakPolarHBondContact CB-OD1 3.46Å; S23-D85 PolarHBondContact OG-OD1 3.12Å
24	E	43.2	Very low	38.2	Very low	36 Å²	36	66.4 Å²	66.4	17%	0.168	38%	0.378	C	S	.	.	H	α-helix	trans	-79.2	-36.2	-178.2	-69.8	-179	157.3	0	0	109.9	L20 S21 L26 E27 F28	L20-E24 WeakPolarHBondContact CA-OE2 3.45Å; L20-E24 HydrophobicContact CB-CB 3.39Å; L20-E24 VanDerWaalsContact CD1-O 3.31Å; L20-E24 WeakPolarHBondContact CD1-O 3.37Å; L20-E24 HydrophobicContact CD2-CB 3.49Å; L20-E24 VanDerWaalsContact CD2-CB 3.49Å; L20-E24 HydrophobicContact CD2-CG 4.43Å; L20-E24 HydrophobicContact CG-CB 3.95Å; S21-E24 PolarHBondContact N-OE2 2.98Å; S21-E24 VanDerWaalsContact N-OE2 3.13Å; S21-E24 CarbonylContact O-C 3.52Å; S21-E24 WeakPolarHBondContact O-CA 3.43Å; S21-E24 PolarHBondContact O-N 3.19Å; E24-L26 PolarHBondContact O-N 3.38Å; E24-L26 VanDerWaalsContact O-N 3.1Å; E24-E27 PolarHBondContact O-N 2.91Å; E24-F28 PolarHBondContact O-N 3.16Å; E24-F28 VanDerWaalsContact O-N 3.16Å
25	F	40.1	Very low	38.5	Very low	98 Å²	98	69.2 Å²	69.2	43%	0.43	38%	0.375	S	S	.	.	H	α-helix	trans	-61.9	-26.9	-175.3	-178.5	-101.2	0	0	0	110.9	L20 S21	L20-F25 VanDerWaalsContact CB-CA 3.42Å; L20-F25 HydrophobicContact CB-CB 3.97Å; S21-F25 PolarHBondContact O-N 3.35Å
26	L	40.5	Very low	38.7	Very low	11 Å²	11	71.1 Å²	71.1	6%	0.058	37%	0.373	C	S	.	.	H	α-helix	trans	-106.2	-14.5	175.7	-79.1	137.5	0	0	0	114.1	E24 F28 L29 D30 Y80 Y82	E24-L26 PolarHBondContact O-N 3.38Å; E24-L26 VanDerWaalsContact O-N 3.1Å; L26-F28 PolarHBondContact O-N 2.83Å; L26-L29 HydrophobicContact CD2-CB 4.13Å; L26-L29 HydrophobicContact CD2-CD1 3.43Å; L26-L29 VanDerWaalsContact CD2-CD1 3.43Å; L26-L29 HydrophobicContact CD2-CG 4.37Å; L26-L29 HydrophobicContact CG-CD1 3.91Å; L26-L29 CarbonylContact O-C 3.56Å; L26-L29 PolarHBondContact O-N 3.43Å; L26-L29 VanDerWaalsContact O-N 3.13Å; L26-D30 WeakPolarHBondContact O-CB 3.43Å; L26-D30 PolarHBondContact O-N 3.06Å; L26-Y80 WeakPolarHBondContact CD2-OH 3.38Å; L26-Y82 HydrophobicContact CB-CE1 4.37Å; L26-Y82 WeakPolarHBondContact CB-OH 3.48Å; L26-Y82 HydrophobicContact CD1-CE1 3.42Å; L26-Y82 VanDerWaalsContact CD1-CE1 3.42Å; L26-Y82 WeakPolarHBondContact CD1-OH 3.48Å; L26-Y82 HydrophobicContact CG-CE1 4.43Å; L26-Y82 WeakPolarHBondContact CG-OH 3.02Å
27	E	43.7	Very low	39	Very low	82 Å²	82	72.4 Å²	72.4	38%	0.383	37%	0.374	S	S	.	.	H	α-helix	trans	-61.8	-29.8	162.1	-88.3	-176.3	-173.1	0	0	111.1	S23 E24 L31	S23-E27 WeakPolarHBondContact O-CG 3.48Å; S23-E27 PolarHBondContact O-N 3.39Å; S23-E27 VanDerWaalsContact O-N 3.09Å; E24-E27 PolarHBondContact O-N 2.91Å; E27-L31 WeakPolarHBondContact O-CA 3.47Å; E27-L31 VanDerWaalsContact O-CB 3.26Å; E27-L31 WeakPolarHBondContact O-CB 3.34Å; E27-L31 VanDerWaalsContact O-CD1 3.3Å; E27-L31 WeakPolarHBondContact O-CD1 3.27Å; E27-L31 PolarHBondContact O-N 3.22Å
28	F	33.9	Very low	39	Very low	98 Å²	98	73.7 Å²	73.7	43%	0.43	38%	0.379	S	S	.	.	H	α-helix	trans	-66.1	-40.5	169.7	-176.6	-97.2	0	0	0	112.6	F17 L20 E24 L26 L31	F17-F28 HydrophobicContact CD1-CE1 4.36Å; F17-F28 AromaticContact CE1-CD1 3.83Å; F17-F28 HydrophobicContact CE1-CD1 3.83Å; F17-F28 HydrophobicContact CE1-CD2 4.06Å; F17-F28 AromaticContact CE1-CE1 3.4Å; F17-F28 HydrophobicContact CE1-CE1 3.4Å; F17-F28 AromaticContact CE1-CE2 3.65Å; F17-F28 HydrophobicContact CE1-CE2 3.65Å; F17-F28 HydrophobicContact CE1-CG 4.16Å; F17-F28 AromaticContact CE1-CZ 3.31Å; F17-F28 HydrophobicContact CE1-CZ 3.31Å; F17-F28 AromaticContact CZ-CE1 3.83Å; F17-F28 HydrophobicContact CZ-CE1 3.83Å; F17-F28 AromaticContact CZ-CE2 3.88Å; F17-F28 HydrophobicContact CZ-CE2 3.88Å; F17-F28 AromaticContact CZ-CZ 3.38Å; F17-F28 HydrophobicContact CZ-CZ 3.38Å; L20-F28 HydrophobicContact CD1-CB 3.77Å; E24-F28 PolarHBondContact O-N 3.16Å; E24-F28 VanDerWaalsContact O-N 3.16Å; L26-F28 PolarHBondContact O-N 2.83Å; F28-L31 PolarHBondContact O-N 3.41Å
29	L	35.8	Very low	38.9	Very low	38 Å²	38	75.6 Å²	75.6	20%	0.199	40%	0.397	C	S	.	.	H	α-helix	trans	-74.8	-27.1	177.5	-66.6	170.5	0	0	0	112.9	L26 V136 A142	L26-L29 HydrophobicContact CD2-CB 4.13Å; L26-L29 HydrophobicContact CD2-CD1 3.43Å; L26-L29 VanDerWaalsContact CD2-CD1 3.43Å; L26-L29 HydrophobicContact CD2-CG 4.37Å; L26-L29 HydrophobicContact CG-CD1 3.91Å; L26-L29 CarbonylContact O-C 3.56Å; L26-L29 PolarHBondContact O-N 3.43Å; L26-L29 VanDerWaalsContact O-N 3.13Å; L29-V136 HydrophobicContact CD2-CG1 3.94Å; L29-A142 HydrophobicContact CD1-CB 3.91Å
30	D	38.2	Very low	38.8	Very low	68 Å²	68	78.6 Å²	78.6	36%	0.364	41%	0.412	S	S	.	.	H	α-helix	trans	-90.1	-11.1	174.2	-69.4	-26	0	0	0	112	L26 E32 D33	L26-D30 WeakPolarHBondContact O-CB 3.43Å; L26-D30 PolarHBondContact O-N 3.06Å; D30-E32 PolarHBondContact O-N 3.34Å; D30-D33 WeakPolarHBondContact O-CB 3.45Å; D30-D33 PolarHBondContact O-N 3.01Å
31	L	40.3	Very low	38.8	Very low	111 Å²	111	81.3 Å²	81.3	58%	0.581	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-26.9	176.3	-131.4	80.4	0	0	0	111.8	E27 F28 D33 A34	E27-L31 WeakPolarHBondContact O-CA 3.47Å; E27-L31 VanDerWaalsContact O-CB 3.26Å; E27-L31 WeakPolarHBondContact O-CB 3.34Å; E27-L31 VanDerWaalsContact O-CD1 3.3Å; E27-L31 WeakPolarHBondContact O-CD1 3.27Å; E27-L31 PolarHBondContact O-N 3.22Å; F28-L31 PolarHBondContact O-N 3.41Å; L31-D33 VanDerWaalsContact C-N 3.28Å; L31-D33 PolarHBondContact O-N 2.83Å; L31-A34 PolarHBondContact O-N 3.12Å
32	E	40.5	Very low	38.2	Very low	116 Å²	116	85.3 Å²	85.3	54%	0.542	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-28.6	173.2	-67	-175	151.6	0	0	111.8	D30 A34 Q35 E36	D30-E32 PolarHBondContact O-N 3.34Å; E32-A34 VanDerWaalsContact C-N 3.3Å; E32-A34 PolarHBondContact O-N 3.39Å; E32-Q35 PolarHBondContact O-N 2.84Å; E32-Q35 VanDerWaalsContact O-N 3.16Å; E32-E36 PolarHBondContact O-N 3.32Å
33	D	42.6	Very low	37.7	Very low	57 Å²	57	92 Å²	92	31%	0.305	48%	0.481	S	S	.	.	H	α-helix	trans	-69.5	-26.5	175.6	-79.8	-16.7	0	0	0	112.1	D30 L31 Q35 S37 K139	D30-D33 WeakPolarHBondContact O-CB 3.45Å; D30-D33 PolarHBondContact O-N 3.01Å; L31-D33 VanDerWaalsContact C-N 3.28Å; L31-D33 PolarHBondContact O-N 2.83Å; D33-Q35 PolarHBondContact O-N 2.99Å; D33-S37 WeakPolarHBondContact O-CB 3.26Å; D33-S37 PolarHBondContact O-N 2.76Å; D33-S37 PolarHBondContact O-OG 3.07Å; D33-K139 IonicContact OD1-NZ 3.37Å; D33-K139 PolarHBondContact OD1-NZ 3.16Å; D33-K139 IonicContact OD2-NZ 2.7Å; D33-K139 PolarHBondContact OD2-NZ 3.4Å
34	A	38.6	Very low	37	Very low	48 Å²	48	96.5 Å²	96.5	40%	0.397	51%	0.51	S	S	.	.	H	α-helix	trans	-72	-21	175	0	0	0	0	0	112.4	L31 E32 K38	L31-A34 PolarHBondContact O-N 3.12Å; E32-A34 VanDerWaalsContact C-N 3.3Å; E32-A34 PolarHBondContact O-N 3.39Å; A34-K38 VanDerWaalsContact O-CG 3.31Å; A34-K38 WeakPolarHBondContact O-CG 3.49Å; A34-K38 PolarHBondContact O-N 2.83Å
35	Q	35.6	Very low	36.8	Very low	150 Å²	150	98.4 Å²	98.4	70%	0.701	54%	0.539	S	S	*	.	H	α-helix	trans	-88	-33.5	-177.7	-152.9	153.2	-18.9	0	0	112.1	E32 D33 K38 A39	E32-Q35 PolarHBondContact O-N 2.84Å; E32-Q35 VanDerWaalsContact O-N 3.16Å; D33-Q35 PolarHBondContact O-N 2.99Å; Q35-K38 PolarHBondContact O-N 3.44Å; Q35-A39 PolarHBondContact O-N 2.84Å; Q35-A39 VanDerWaalsContact O-N 3.17Å
36	E	36	Very low	36.4	Very low	144 Å²	144	99.7 Å²	99.7	67%	0.673	56%	0.557	S	S	*	*	H	α-helix	trans	-67	-37	165.7	-84.6	-165.9	150.6	0	0	112	E32 K38 A39 L40	E32-E36 PolarHBondContact O-N 3.32Å; E36-K38 VanDerWaalsContact C-N 3.3Å; E36-K38 PolarHBondContact O-N 2.85Å; E36-A39 WeakPolarHBondContact O-CB 3.17Å; E36-A39 PolarHBondContact O-N 2.97Å; E36-A39 VanDerWaalsContact O-N 3.15Å; E36-L40 PolarHBondContact O-N 2.65Å
37	S	34.6	Very low	35.9	Very low	74 Å²	74	104.6 Å²	104.6	52%	0.517	59%	0.592	S	S	.	*	H	α-helix	trans	-65.8	-31.9	175.3	-57.2	0	0	0	0	112.7	D33	D33-S37 WeakPolarHBondContact O-CB 3.26Å; D33-S37 PolarHBondContact O-N 2.76Å; D33-S37 PolarHBondContact O-OG 3.07Å
38	K	34.8	Very low	35.8	Very low	148 Å²	148	105.9 Å²	105.9	64%	0.643	61%	0.61	S	S	*	*	H	α-helix	trans	-75.4	-26.5	173.1	-78.7	173.3	-177.4	172	0	112.8	A34 Q35 E36 L40 V41	A34-K38 VanDerWaalsContact O-CG 3.31Å; A34-K38 WeakPolarHBondContact O-CG 3.49Å; A34-K38 PolarHBondContact O-N 2.83Å; Q35-K38 PolarHBondContact O-N 3.44Å; E36-K38 VanDerWaalsContact C-N 3.3Å; E36-K38 PolarHBondContact O-N 2.85Å; K38-L40 VanDerWaalsContact C-N 3.33Å; K38-V41 PolarHBondContact O-N 2.97Å
39	A	32.2	Very low	35.5	Very low	68 Å²	68	110.6 Å²	110.6	56%	0.562	63%	0.634	S	S	*	*	H	α-helix	trans	-69.9	-30	175.9	0	0	0	0	0	112.4	Q35 E36 V41	Q35-A39 PolarHBondContact O-N 2.84Å; Q35-A39 VanDerWaalsContact O-N 3.17Å; E36-A39 WeakPolarHBondContact O-CB 3.17Å; E36-A39 PolarHBondContact O-N 2.97Å; E36-A39 VanDerWaalsContact O-N 3.15Å; A39-V41 PolarHBondContact O-N 2.85Å
40	L	34.1	Very low	35.4	Very low	157 Å²	157	113.9 Å²	113.9	82%	0.822	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-7.4	173.9	-82	161.8	0	0	0	114.5	E36 K38	E36-L40 PolarHBondContact O-N 2.65Å; K38-L40 VanDerWaalsContact C-N 3.33Å
41	V	32.9	Very low	35	Very low	117 Å²	117	119.1 Å²	119.1	71%	0.709	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	-9.5	179.9	-175.6	0	0	0	0	112.7	K38 A39 M43	K38-V41 PolarHBondContact O-N 2.97Å; A39-V41 PolarHBondContact O-N 2.85Å; V41-M43 PolarHBondContact O-N 3.2Å
42	N	37.4	Very low	34.5	Very low	132 Å²	132	117.3 Å²	117.3	71%	0.706	70%	0.696	S	S	*	*			trans	-90.8	86.2	178.7	-72.7	-26.5	0	0	0	111.1
43	M	32.5	Very low	34.5	Very low	166 Å²	166	121.2 Å²	121.2	82%	0.818	71%	0.711	S	S	*	*			trans	-111.1	144.3	157.9	-74.7	-59.3	-74	0	0	111.1	V41	V41-M43 PolarHBondContact O-N 3.2Å
44	P	30.6	Very low	34	Very low	107 Å²	107	125.9 Å²	125.9	70%	0.695	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-77	142.7	-160.9	28.9	-26.6	0	0	0	111.2
45	G	37.8	Very low	34.2	Very low	76 Å²	76	131.5 Å²	131.5	78%	0.784	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-60.7	133.3	177.8	0	0	0	0	0	111.6
46	P	32.2	Very low	34.6	Very low	125 Å²	125	133.4 Å²	133.4	81%	0.812	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-91.2	132.2	169.2	33	-26.2	0	0	0	110.1
47	S	29.6	Very low	34.8	Very low	114 Å²	114	132.1 Å²	132.1	80%	0.797	77%	0.769	S	S	*	*			trans	-43.2	148.7	161.2	-20.7	0	0	0	0	112.4	E49	S47-E49 PolarHBondContact O-N 2.98Å
48	S	41	Very low	35.3	Very low	109 Å²	109	135.7 Å²	135.7	76%	0.762	78%	0.781	S	S	*	*			trans	-36.8	125.3	167.6	51.5	0	0	0	0	114.8
49	E	28.5	Very low	35.8	Very low	198 Å²	198	130.8 Å²	130.8	93%	0.925	77%	0.765	S	S	*	*				-175.5	154.2	128.4	-99.8	171.5	-171.1	0	0	111.4	S47	S47-E49 PolarHBondContact O-N 2.98Å
50	S	33.9	Very low	36.4	Very low	107 Å²	107	134.4 Å²	134.4	75%	0.748	78%	0.775	S	S	*	*			trans	-85.5	159.1	-150.3	55.8	0	0	0	0	117.9
51	L	30	Very low	37	Very low	177 Å²	177	133 Å²	133	93%	0.927	76%	0.764	S	S	*	*				125.7	117.1	126.4	-161.4	75.7	0	0	0	115.1
52	G	28.7	Very low	37.5	Very low	74 Å²	74	132 Å²	132	76%	0.763	75%	0.754	S	S	*	*			trans	132.7	100.8	156.9	0	0	0	0	0	115.2
53	K	41.5	Very low	37.8	Very low	197 Å²	197	134.8 Å²	134.8	86%	0.857	76%	0.755	S	S	*	*			trans	-60.1	132.4	174.3	-80.2	168.7	167.3	171.4	0	112.5
54	D	32.3	Very low	38.6	Very low	156 Å²	156	133.8 Å²	133.8	83%	0.834	75%	0.746	S	S	*	*			trans	-167.8	75.4	131	-101.5	-17.7	0	0	0	110	K56	D54-K56 PolarHBondContact O-N 3.05Å; D54-K56 VanDerWaalsContact O-N 3.16Å
55	D	42.8	Very low	39.5	Very low	166 Å²	166	135 Å²	135	89%	0.888	74%	0.737	S	S	*	*			trans	-78.2	92.6	170.5	-73.2	-45.5	0	0	0	109.8
56	K	43.7	Very low	40.2	Very low	189 Å²	189	133.3 Å²	133.3	82%	0.822	72%	0.719	S	S	*	*			trans	-87.6	122.1	155.1	-78	-177.2	-177.8	173.3	0	108	D54 I58	D54-K56 PolarHBondContact O-N 3.05Å; D54-K56 VanDerWaalsContact O-N 3.16Å; K56-I58 PolarHBondContact O-N 3.18Å; K56-I58 VanDerWaalsContact O-N 3.12Å
57	P	40.4	Very low	41.3	Very low	118 Å²	118	130 Å²	130	77%	0.766	69%	0.694	S	S	*	*			trans	-64.1	120.1	172.2	26.8	-30.8	0	0	0	107.6	S59	P57-S59 PolarHBondContact O-N 3.5Å
58	I	44.4	Very low	42.6	Very low	149 Å²	149	130.8 Å²	130.8	76%	0.764	69%	0.69	S	S	*	*			trans	-57.1	106.3	167.2	-66.3	168.6	0	0	0	105.7	K56 L60	K56-I58 PolarHBondContact O-N 3.18Å; K56-I58 VanDerWaalsContact O-N 3.12Å; I58-L60 PolarHBondContact O-N 2.81Å
59	S	44.8	Very low	44.2	Very low	45 Å²	45	132.3 Å²	132.3	32%	0.315	69%	0.688	S	S	.	*			trans	-57.7	125.5	-174.5	173.9	0	0	0	0	109.8	P57 Q61 N62	P57-S59 PolarHBondContact O-N 3.5Å; S59-Q61 PolarHBondContact O-N 3.34Å; S59-Q61 WeakPolarHBondContact OG-CB 3.27Å; S59-Q61 PolarHBondContact OG-N 3.38Å; S59-N62 WeakPolarHBondContact O-CB 3.43Å; S59-N62 PolarHBondContact O-N 2.97Å
60	L	45	Very low	46.8	Very low	144 Å²	144	126.8 Å²	126.8	75%	0.754	66%	0.664	S	S	*	*	H	α-helix	trans	-48.2	-23.5	168.5	-94.7	154.8	0	0	0	112.9	I58 K64	I58-L60 PolarHBondContact O-N 2.81Å; L60-K64 PolarHBondContact O-N 3.41Å
61	Q	48.1	Very low	49.3	Very low	128 Å²	128	123.9 Å²	123.9	60%	0.598	64%	0.644	S	S	*	*	H	α-helix	trans	-73.5	-29.5	175.2	-57.4	-171.9	-6.5	0	0	113.2	S59 R65	S59-Q61 PolarHBondContact O-N 3.34Å; S59-Q61 WeakPolarHBondContact OG-CB 3.27Å; S59-Q61 PolarHBondContact OG-N 3.38Å; Q61-R65 WeakPolarHBondContact O-CB 3.37Å; Q61-R65 VanDerWaalsContact O-CG 3.24Å; Q61-R65 WeakPolarHBondContact O-CG 3.25Å; Q61-R65 PolarHBondContact O-N 2.96Å; Q61-R65 VanDerWaalsContact O-N 3.11Å; Q61-R65 PolarHBondContact O-NE 3.13Å
62	N	43.1	Very low	52	Low	94 Å²	94	119.9 Å²	119.9	50%	0.503	63%	0.628	S	S	.	*	H	α-helix	trans	-71.9	-35.7	175.4	-83.3	-11.5	0	0	0	112.2	S59 R65 G66	S59-N62 WeakPolarHBondContact O-CB 3.43Å; S59-N62 PolarHBondContact O-N 2.97Å; N62-R65 PolarHBondContact OD1-NE 3.2Å; N62-R65 PolarHBondContact OD1-NH2 3.43Å; N62-G66 PolarHBondContact O-N 3.25Å
63	W	43.4	Very low	54.8	Low	191 Å²	191	118.4 Å²	118.4	72%	0.723	60%	0.602	S	S	*	*	H	α-helix	trans	-66	-44.9	176.5	-161.5	-51.2	0	0	0	111.1	G66 L67	W63-G66 PolarHBondContact O-N 3.45Å; W63-L67 PolarHBondContact O-N 3.17Å
64	K	48.7	Very low	57	Low	145 Å²	145	114.1 Å²	114.1	63%	0.63	59%	0.585	S	S	*	*	H	α-helix	trans	-62.7	-43.9	176	-70	-174.8	177.4	-166.2	0	112.4	L60 G66 L67 D68	L60-K64 PolarHBondContact O-N 3.41Å; K64-G66 VanDerWaalsContact C-N 3.25Å; K64-G66 PolarHBondContact O-N 3.37Å; K64-L67 PolarHBondContact O-N 3.42Å; K64-L67 VanDerWaalsContact O-N 3.17Å; K64-D68 VanDerWaalsContact O-CG 3.32Å; K64-D68 PolarHBondContact O-N 2.86Å; K64-D68 VanDerWaalsContact O-N 3.11Å
65	R	49.5	Very low	59.7	Low	134 Å²	134	111 Å²	111	51%	0.506	56%	0.562	S	S	.	*	H	α-helix	trans	-60.6	-28.7	178.1	-79.4	-173.2	-73.7	-132.4	0	114.5	Q61 N62	Q61-R65 WeakPolarHBondContact O-CB 3.37Å; Q61-R65 VanDerWaalsContact O-CG 3.24Å; Q61-R65 WeakPolarHBondContact O-CG 3.25Å; Q61-R65 PolarHBondContact O-N 2.96Å; Q61-R65 VanDerWaalsContact O-N 3.11Å; Q61-R65 PolarHBondContact O-NE 3.13Å; N62-R65 PolarHBondContact OD1-NE 3.2Å; N62-R65 PolarHBondContact OD1-NH2 3.43Å
66	G	53.3	Low	61.6	Low	40 Å²	40	105.6 Å²	105.6	41%	0.412	53%	0.531	S	S	.	.	H	α-helix	trans	-81.3	-32.2	176.4	0	0	0	0	0	113.6	N62 W63 K64	N62-G66 PolarHBondContact O-N 3.25Å; W63-G66 PolarHBondContact O-N 3.45Å; K64-G66 VanDerWaalsContact C-N 3.25Å; K64-G66 PolarHBondContact O-N 3.37Å
67	L	53.9	Low	63.7	Low	55 Å²	55	104.6 Å²	104.6	29%	0.288	53%	0.529	S	S	.	.	H	α-helix	trans	-74.1	-29.2	175.9	-105.1	86.6	0	0	0	113.1	W63 K64 I69 L70 R75	W63-L67 PolarHBondContact O-N 3.17Å; K64-L67 PolarHBondContact O-N 3.42Å; K64-L67 VanDerWaalsContact O-N 3.17Å; L67-I69 PolarHBondContact O-N 3.43Å; L67-I69 VanDerWaalsContact O-N 3.15Å; L67-L70 PolarHBondContact O-N 2.87Å; L67-R75 HydrophobicContact CD2-CG 4.21Å
68	D	58.4	Low	66	Low	131 Å²	131	101.2 Å²	101.2	70%	0.701	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-5.4	178.3	-68.6	-28	0	0	0	113.6	K64	K64-D68 VanDerWaalsContact O-CG 3.32Å; K64-D68 PolarHBondContact O-N 2.86Å; K64-D68 VanDerWaalsContact O-N 3.11Å
69	I	73.5	Confident	68.1	Low	141 Å²	141	101.3 Å²	101.3	72%	0.723	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-20.2	179.3	-57.6	171.1	0	0	0	111.7	L67	L67-I69 PolarHBondContact O-N 3.43Å; L67-I69 VanDerWaalsContact O-N 3.15Å
70	L	82.7	Confident	70.4	Confident	81 Å²	81	100.6 Å²	100.6	42%	0.424	49%	0.489	S	S	.	.	S	Bend	trans	-81	140.2	-179.5	-62.7	177.6	0	0	0	110.7	L67 E74 R75	L67-L70 PolarHBondContact O-N 2.87Å; L70-E74 HydrophobicContact CB-CB 4.19Å; L70-E74 HydrophobicContact CD2-CB 4.32Å; L70-R75 HydrophobicContact CB-CB 4.33Å
71	S	86.5	Confident	72.7	Confident	47 Å²	47	95.5 Å²	95.5	33%	0.329	46%	0.462	S	S	.	.			trans	-62.1	154.1	167.2	65.5	0	0	0	0	110.3	M73 E74 R75	S71-M73 PolarHBondContact O-N 2.74Å; S71-M73 VanDerWaalsContact O-N 3.17Å; S71-E74 WeakPolarHBondContact CB-OE2 3.13Å; S71-E74 PolarHBondContact N-OE2 3.16Å; S71-E74 PolarHBondContact O-N 2.88Å; S71-E74 VanDerWaalsContact OG-CD 3.27Å; S71-E74 VanDerWaalsContact OG-CG 3.28Å; S71-E74 WeakPolarHBondContact OG-CG 3.21Å; S71-E74 PolarHBondContact OG-N 3.48Å; S71-E74 PolarHBondContact OG-OE2 2.97Å; S71-R75 WeakPolarHBondContact O-CB 3.38Å; S71-R75 PolarHBondContact O-N 2.85Å
72	P	87.2	Confident	74.8	Confident	92 Å²	92	90 Å²	90	60%	0.597	44%	0.436	S	S	*	.	H	α-helix	trans	-52.9	-36.7	174.4	-28.7	36.1	0	0	0	113.3	R75 F76	P72-R75 PolarHBondContact O-N 2.97Å; P72-F76 HydrophobicContact CB-CD2 4.47Å; P72-F76 WeakPolarHBondContact O-CD2 3.44Å; P72-F76 PolarHBondContact O-N 3.32Å
73	M	87.4	Confident	77.3	Confident	43 Å²	43	85.5 Å²	85.5	21%	0.212	41%	0.412	C	S	.	.	H	α-helix	trans	-58.9	-49.5	175.4	-68.3	-61.6	-68.5	0	0	111.9	S71 H77 L78 L81 V175	S71-M73 PolarHBondContact O-N 2.74Å; S71-M73 VanDerWaalsContact O-N 3.17Å; M73-H77 CarbonylContact O-C 3.54Å; M73-H77 WeakPolarHBondContact O-CA 3.39Å; M73-H77 PolarHBondContact O-N 2.99Å; M73-L78 HydrophobicContact CE-CB 3.73Å; M73-L78 VanDerWaalsContact CE-O 3.25Å; M73-L78 WeakPolarHBondContact CE-O 3.22Å; M73-L78 PolarHBondContact O-N 2.95Å; M73-L78 HydrophobicContact SD-CB 3.84Å; M73-L78 HydrophobicContact SD-CD1 4.25Å; M73-L81 HydrophobicContact SD-CD1 4.19Å; M73-L81 HydrophobicContact SD-CD2 3.63Å; M73-L81 HydrophobicContact SD-CG 3.84Å; M73-V175 HydrophobicContact CE-CG1 3.87Å; M73-V175 HydrophobicContact SD-CG1 4.26Å
74	E	88.9	Confident	79.5	Confident	108 Å²	108	77.4 Å²	77.4	51%	0.505	38%	0.384	S	S	.	.	H	α-helix	trans	-68.6	-42.3	178.9	-68.4	162.1	139.3	0	0	111.7	L70 S71 F76 H77	L70-E74 HydrophobicContact CB-CB 4.19Å; L70-E74 HydrophobicContact CD2-CB 4.32Å; S71-E74 WeakPolarHBondContact CB-OE2 3.13Å; S71-E74 PolarHBondContact N-OE2 3.16Å; S71-E74 PolarHBondContact O-N 2.88Å; S71-E74 VanDerWaalsContact OG-CD 3.27Å; S71-E74 VanDerWaalsContact OG-CG 3.28Å; S71-E74 WeakPolarHBondContact OG-CG 3.21Å; S71-E74 PolarHBondContact OG-N 3.48Å; S71-E74 PolarHBondContact OG-OE2 2.97Å; E74-F76 VanDerWaalsContact C-N 3.29Å; E74-F76 PolarHBondContact O-N 2.87Å; E74-H77 PolarHBondContact O-N 2.87Å; E74-H77 PolarHBondContact O-ND1 2.98Å
75	R	87	Confident	81.6	Confident	89 Å²	89	71.7 Å²	71.7	34%	0.336	36%	0.36	S	S	.	.	H	α-helix	trans	-60	-39.8	-178.4	179.4	179.6	176.6	-172	-1.3	112.3	L67 L70 S71 P72 E101	L67-R75 HydrophobicContact CD2-CG 4.21Å; L70-R75 HydrophobicContact CB-CB 4.33Å; S71-R75 WeakPolarHBondContact O-CB 3.38Å; S71-R75 PolarHBondContact O-N 2.85Å; P72-R75 PolarHBondContact O-N 2.97Å; R75-E101 IonicContact CZ-OE1 3.89Å; R75-E101 VanDerWaalsContact CZ-OE1 3.3Å; R75-E101 IonicContact NH1-OE1 2.68Å; R75-E101 PolarHBondContact NH1-OE1 2.72Å; R75-E101 IonicContact NH2-OE1 3.33Å; R75-E101 PolarHBondContact NH2-OE1 3.2Å
76	F	84.4	Confident	83.6	Confident	54 Å²	54	66.8 Å²	66.8	24%	0.237	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	10.9	-178.8	-60.8	-61.6	0	0	0	112.7	P72 E74 L78 K100 E101	P72-F76 HydrophobicContact CB-CD2 4.47Å; P72-F76 WeakPolarHBondContact O-CD2 3.44Å; P72-F76 PolarHBondContact O-N 3.32Å; E74-F76 VanDerWaalsContact C-N 3.29Å; E74-F76 PolarHBondContact O-N 2.87Å; F76-L78 HydrophobicContact CB-CD1 4.02Å; F76-L78 HydrophobicContact CB-CD2 4.25Å; F76-L78 HydrophobicContact CB-CG 3.77Å; F76-L78 PolarHBondContact O-N 3Å; F76-L78 VanDerWaalsContact O-N 3.14Å; F76-K100 HydrophobicContact CD1-CB 3.81Å; F76-K100 HydrophobicContact CE1-CB 3.67Å; F76-K100 HydrophobicContact CE2-CB 4.43Å; F76-K100 HydrophobicContact CG-CB 4.26Å; F76-K100 HydrophobicContact CZ-CB 4.01Å; F76-E101 HydrophobicContact CE1-CG 3.98Å; F76-E101 HydrophobicContact CZ-CG 4.15Å
77	H	87.7	Confident	85.5	Confident	168 Å²	168	64.9 Å²	64.9	78%	0.778	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	34.4	-179.3	-58.3	-59.4	0	0	0	114.3	M73 E74	M73-H77 CarbonylContact O-C 3.54Å; M73-H77 WeakPolarHBondContact O-CA 3.39Å; M73-H77 PolarHBondContact O-N 2.99Å; E74-H77 PolarHBondContact O-N 2.87Å; E74-H77 PolarHBondContact O-ND1 2.98Å
78	L	87.6	Confident	87.3	Confident	46 Å²	46	64.1 Å²	64.1	24%	0.241	32%	0.322	C	S	.	.			trans	-79	136.5	-178.1	-57	175.8	0	0	0	110	M73 F76 L81	M73-L78 HydrophobicContact CE-CB 3.73Å; M73-L78 VanDerWaalsContact CE-O 3.25Å; M73-L78 WeakPolarHBondContact CE-O 3.22Å; M73-L78 PolarHBondContact O-N 2.95Å; M73-L78 HydrophobicContact SD-CB 3.84Å; M73-L78 HydrophobicContact SD-CD1 4.25Å; F76-L78 HydrophobicContact CB-CD1 4.02Å; F76-L78 HydrophobicContact CB-CD2 4.25Å; F76-L78 HydrophobicContact CB-CG 3.77Å; F76-L78 PolarHBondContact O-N 3Å; F76-L78 VanDerWaalsContact O-N 3.14Å; L78-L81 HydrophobicContact CD1-CD2 3.89Å
79	K	89.5	Confident	88.9	Confident	152 Å²	152	62 Å²	62	66%	0.661	31%	0.308	S	S	*	.	S	Bend	trans	-97.2	-24.3	171.6	-66.3	-178.4	-178.5	178.2	0	112.6
80	Y	92.6	Very high	89.8	Confident	29 Å²	29	58.6 Å²	58.6	11%	0.114	29%	0.291	C	S	.	.	S	Bend	trans	-154.8	167	-178.1	47.9	-88.7	0	0	0	108.8	L26 Y82 W143 L176 V178	L26-Y80 WeakPolarHBondContact CD2-OH 3.38Å; Y80-Y82 HydrophobicContact CD2-CE1 4.21Å; Y80-Y82 AromaticContact CE2-CE1 3.7Å; Y80-Y82 HydrophobicContact CE2-CE1 3.7Å; Y80-Y82 HydrophobicContact CE2-CE2 4.22Å; Y80-Y82 AromaticContact CE2-CZ 3.44Å; Y80-Y82 VanDerWaalsContact CE2-CZ 3.44Å; Y80-Y82 WeakPolarHBondContact CE2-OH 3.41Å; Y80-Y82 PolarHBondContact OH-OH 3.43Å; Y80-W143 HydrophobicContact CD1-CZ2 4.36Å; Y80-W143 HydrophobicContact CE1-CZ2 4.27Å; Y80-L176 CarbonylContact C-O 3.5Å; Y80-L176 WeakPolarHBondContact CA-O 3.43Å; Y80-L176 WeakPolarHBondContact CB-O 3.31Å; Y80-V178 HydrophobicContact CD2-CB 3.94Å; Y80-V178 HydrophobicContact CD2-CG2 3.5Å; Y80-V178 HydrophobicContact CE2-CB 4.36Å; Y80-V178 HydrophobicContact CE2-CG2 4.1Å; Y80-V178 HydrophobicContact CG-CG2 3.92Å
81	L	93	Very high	90.1	Very high	37 Å²	37	60.1 Å²	60.1	19%	0.194	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	140.1	-179.6	-65.5	172.1	0	0	0	110.7	M73 L78 L86 V175 L176 L177 V178	M73-L81 HydrophobicContact SD-CD1 4.19Å; M73-L81 HydrophobicContact SD-CD2 3.63Å; M73-L81 HydrophobicContact SD-CG 3.84Å; L78-L81 HydrophobicContact CD1-CD2 3.89Å; L81-L86 HydrophobicContact CB-CD1 4.25Å; L81-L86 HydrophobicContact CB-CG 4.35Å; L81-L86 HydrophobicContact CD1-CD2 4.16Å; L81-V175 HydrophobicContact CD1-CG1 3.79Å; L81-V175 HydrophobicContact CG-CG1 3.89Å; L81-L176 PolarHBondContact N-O 3.4Å; L81-L177 HydrophobicContact CB-CD2 3.8Å; L81-L177 HydrophobicContact CD1-CD2 4.37Å; L81-L177 CarbonylContact O-C 3.49Å; L81-L177 WeakPolarHBondContact O-CA 3.4Å; L81-V178 PolarHBondContact O-N 3.36Å
82	Y	92.6	Very high	90.2	Very high	12 Å²	12	60.1 Å²	60.1	5%	0.047	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	138.5	174.6	-63.5	-73.5	0	0	0	111.4	L26 Y80 T84 D85 L86 V178	L26-Y82 HydrophobicContact CB-CE1 4.37Å; L26-Y82 WeakPolarHBondContact CB-OH 3.48Å; L26-Y82 HydrophobicContact CD1-CE1 3.42Å; L26-Y82 VanDerWaalsContact CD1-CE1 3.42Å; L26-Y82 WeakPolarHBondContact CD1-OH 3.48Å; L26-Y82 HydrophobicContact CG-CE1 4.43Å; L26-Y82 WeakPolarHBondContact CG-OH 3.02Å; Y80-Y82 HydrophobicContact CD2-CE1 4.21Å; Y80-Y82 AromaticContact CE2-CE1 3.7Å; Y80-Y82 HydrophobicContact CE2-CE1 3.7Å; Y80-Y82 HydrophobicContact CE2-CE2 4.22Å; Y80-Y82 AromaticContact CE2-CZ 3.44Å; Y80-Y82 VanDerWaalsContact CE2-CZ 3.44Å; Y80-Y82 WeakPolarHBondContact CE2-OH 3.41Å; Y80-Y82 PolarHBondContact OH-OH 3.43Å; Y82-T84 PolarHBondContact O-N 3.01Å; Y82-D85 PolarHBondContact O-N 3.43Å; Y82-D85 VanDerWaalsContact O-N 3.12Å; Y82-L86 PolarHBondContact O-N 2.94Å; Y82-V178 VanDerWaalsContact CA-O 3.3Å; Y82-V178 WeakPolarHBondContact CA-O 3.19Å; Y82-V178 HydrophobicContact CD1-CB 4.43Å; Y82-V178 HydrophobicContact CE1-CB 4.47Å; Y82-V178 HydrophobicContact CE1-CG1 4.44Å
83	V	95	Very high	90.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-56.7	-40.7	173.3	172.8	0	0	0	0	110.8	L86 A87 V178 Q217 L220 Y221 I224	V83-L86 PolarHBondContact O-N 2.96Å; V83-A87 WeakPolarHBondContact O-CB 3.47Å; V83-A87 PolarHBondContact O-N 3.4Å; V83-V178 PolarHBondContact N-O 3.36Å; V83-Q217 HydrophobicContact CG1-CG 3.68Å; V83-L220 HydrophobicContact CG1-CB 3.78Å; V83-L220 HydrophobicContact CG1-CD1 4.08Å; V83-L220 HydrophobicContact CG2-CB 4.32Å; V83-Y221 HydrophobicContact CB-CD1 4.17Å; V83-Y221 HydrophobicContact CB-CE1 3.62Å; V83-Y221 HydrophobicContact CG1-CD1 3.87Å; V83-Y221 HydrophobicContact CG1-CD2 4.32Å; V83-Y221 HydrophobicContact CG1-CE1 3.54Å; V83-Y221 HydrophobicContact CG1-CE2 4.02Å; V83-Y221 HydrophobicContact CG1-CG 4.23Å; V83-Y221 HydrophobicContact CG2-CD1 3.97Å; V83-Y221 HydrophobicContact CG2-CE1 3.82Å; V83-I224 HydrophobicContact CG2-CD1 3.8Å
84	T	90.9	Very high	90.6	Very high	22 Å²	22	65.9 Å²	65.9	14%	0.135	31%	0.312	C	S	.	.	H	α-helix	trans	-64	-39.4	176.1	-69.5	0	0	0	0	113.1	D22 Y82 A87 T88	D22-T84 PolarHBondContact OD2-OG1 2.9Å; Y82-T84 PolarHBondContact O-N 3.01Å; T84-A87 PolarHBondContact O-N 2.91Å; T84-T88 WeakPolarHBondContact O-CB 3.38Å; T84-T88 PolarHBondContact O-N 3Å; T84-T88 PolarHBondContact O-OG1 3.39Å
85	D	91.1	Very high	90.4	Very high	24 Å²	24	65.1 Å²	65.1	13%	0.128	31%	0.309	C	S	.	.	H	α-helix	trans	-66.8	-44	176.2	-76.9	-6	0	0	0	110.9	S23 Y82 A87 T88 Q89 K100	S23-D85 WeakPolarHBondContact CB-OD1 3.46Å; S23-D85 PolarHBondContact OG-OD1 3.12Å; Y82-D85 PolarHBondContact O-N 3.43Å; Y82-D85 VanDerWaalsContact O-N 3.12Å; D85-A87 PolarHBondContact O-N 2.76Å; D85-T88 PolarHBondContact O-N 3.41Å; D85-Q89 WeakPolarHBondContact O-CB 3.5Å; D85-Q89 PolarHBondContact O-N 3.26Å; D85-K100 VanDerWaalsContact OD2-CE 3.23Å; D85-K100 WeakPolarHBondContact OD2-CE 3.38Å; D85-K100 IonicContact OD2-NZ 2.7Å; D85-K100 PolarHBondContact OD2-NZ 3.39Å
86	L	93.3	Very high	90.4	Very high	32 Å²	32	61.8 Å²	61.8	17%	0.168	30%	0.298	C	S	.	.	H	α-helix	trans	-62.8	-41	176.5	-73.1	177.2	0	0	0	112.1	L81 Y82 V83 T88 Q89 N90 L177 F216 L220	L81-L86 HydrophobicContact CB-CD1 4.25Å; L81-L86 HydrophobicContact CB-CG 4.35Å; L81-L86 HydrophobicContact CD1-CD2 4.16Å; Y82-L86 PolarHBondContact O-N 2.94Å; V83-L86 PolarHBondContact O-N 2.96Å; L86-T88 VanDerWaalsContact C-N 3.35Å; L86-Q89 PolarHBondContact O-N 3.14Å; L86-N90 WeakPolarHBondContact O-CB 3.39Å; L86-N90 PolarHBondContact O-N 3.14Å; L86-L177 HydrophobicContact CD1-CD1 4.47Å; L86-L177 HydrophobicContact CD1-CD2 3.66Å; L86-F216 HydrophobicContact CB-CE1 4.27Å; L86-L220 HydrophobicContact CB-CD1 3.72Å; L86-L220 HydrophobicContact CD1-CD1 4Å
87	A	93.1	Very high	90.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.5	-42.6	174.4	0	0	0	0	0	111.6	V83 T84 D85 Q89 N90 W91 K213 F216 Q217	V83-A87 WeakPolarHBondContact O-CB 3.47Å; V83-A87 PolarHBondContact O-N 3.4Å; T84-A87 PolarHBondContact O-N 2.91Å; D85-A87 PolarHBondContact O-N 2.76Å; A87-Q89 VanDerWaalsContact C-N 3.32Å; A87-Q89 PolarHBondContact O-N 3.35Å; A87-N90 PolarHBondContact O-N 3.12Å; A87-W91 PolarHBondContact O-N 2.83Å; A87-W91 VanDerWaalsContact O-N 3.1Å; A87-K213 HydrophobicContact CB-CG 4.25Å; A87-K213 WeakPolarHBondContact O-CG 3.3Å; A87-F216 HydrophobicContact CB-CD1 4.25Å; A87-Q217 HydrophobicContact CB-CB 3.83Å; A87-Q217 HydrophobicContact CB-CG 4.06Å
88	T	90.3	Very high	90.4	Very high	38 Å²	38	59.2 Å²	59.2	23%	0.233	29%	0.288	C	S	.	.	H	α-helix	trans	-64.9	-36.8	175.5	-57.5	0	0	0	0	111.9	T84 D85 L86 W91 C92 T96	T84-T88 WeakPolarHBondContact O-CB 3.38Å; T84-T88 PolarHBondContact O-N 3Å; T84-T88 PolarHBondContact O-OG1 3.39Å; D85-T88 PolarHBondContact O-N 3.41Å; L86-T88 VanDerWaalsContact C-N 3.35Å; T88-W91 WeakPolarHBondContact O-CB 3.13Å; T88-W91 PolarHBondContact O-N 3.4Å; T88-C92 PolarHBondContact O-N 3.21Å; T88-T96 VanDerWaalsContact C-OG1 3.32Å
89	Q	91.6	Very high	90.2	Very high	86 Å²	86	59 Å²	59	40%	0.402	30%	0.297	S	S	.	.	H	α-helix	trans	-65.2	-46.7	175.1	-174.5	-179.3	-24.7	0	0	111.7	D85 L86 A87 W91 C92 E93 T96	D85-Q89 WeakPolarHBondContact O-CB 3.5Å; D85-Q89 PolarHBondContact O-N 3.26Å; L86-Q89 PolarHBondContact O-N 3.14Å; A87-Q89 VanDerWaalsContact C-N 3.32Å; A87-Q89 PolarHBondContact O-N 3.35Å; Q89-W91 PolarHBondContact O-N 2.97Å; Q89-C92 CarbonylContact O-C 3.55Å; Q89-C92 VanDerWaalsContact O-C 3.28Å; Q89-C92 PolarHBondContact O-N 2.95Å; Q89-E93 HydrophobicContact CG-CB 4.48Å; Q89-E93 HydrophobicContact CG-CG 4.06Å; Q89-E93 PolarHBondContact O-N 3.45Å; Q89-E93 VanDerWaalsContact O-N 3.12Å; Q89-T96 WeakPolarHBondContact CA-OG1 3.44Å; Q89-T96 HydrophobicContact CB-CG2 4.18Å; Q89-T96 PolarHBondContact N-OG1 3.3Å; Q89-T96 VanDerWaalsContact N-OG1 3.11Å
90	N	92.4	Very high	89.9	Confident	70 Å²	70	54.4 Å²	54.4	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-61.1	-25.2	175.8	175.8	64.1	0	0	0	112.5	L86 A87 F216	L86-N90 WeakPolarHBondContact O-CB 3.39Å; L86-N90 PolarHBondContact O-N 3.14Å; A87-N90 PolarHBondContact O-N 3.12Å; N90-F216 HydrophobicContact CB-CD1 3.83Å; N90-F216 HydrophobicContact CB-CE1 3.81Å; N90-F216 HydrophobicContact CB-CG 4.31Å; N90-F216 HydrophobicContact CB-CZ 4.34Å
91	W	89.6	Confident	89.6	Confident	114 Å²	114	56.8 Å²	56.8	43%	0.432	29%	0.289	S	S	.	.	H	α-helix	trans	-77	-51.4	171.5	175.9	-106.5	0	0	0	112.8	A87 T88 Q89 A209 K213	A87-W91 PolarHBondContact O-N 2.83Å; A87-W91 VanDerWaalsContact O-N 3.1Å; T88-W91 WeakPolarHBondContact O-CB 3.13Å; T88-W91 PolarHBondContact O-N 3.4Å; Q89-W91 PolarHBondContact O-N 2.97Å; W91-A209 HydrophobicContact CE3-CB 4.49Å; W91-A209 HydrophobicContact CH2-CB 3.19Å; W91-A209 VanDerWaalsContact CZ3-CA 3.41Å; W91-A209 HydrophobicContact CZ3-CB 3.17Å; W91-A209 WeakPolarHBondContact CZ3-O 3.31Å; W91-K213 HydrophobicContact CB-CB 4.33Å; W91-K213 HydrophobicContact CB-CD 3.78Å; W91-K213 HydrophobicContact CB-CG 3.92Å; W91-K213 HydrophobicContact CE3-CB 4.21Å; W91-K213 HydrophobicContact CG-CD 4.09Å
92	C	89.9	Confident	89.1	Confident	47 Å²	47	59.7 Å²	59.7	32%	0.318	31%	0.305	S	S	.	.			trans	-154.8	105.8	178.8	-176.1	0	0	0	0	110.5	T88 Q89 L94 Q95 T96	T88-C92 PolarHBondContact O-N 3.21Å; Q89-C92 CarbonylContact O-C 3.55Å; Q89-C92 VanDerWaalsContact O-C 3.28Å; Q89-C92 PolarHBondContact O-N 2.95Å; C92-L94 VanDerWaalsContact C-N 3.33Å; C92-L94 PolarHBondContact O-N 2.97Å; C92-Q95 HydrophobicContact CB-CB 3.75Å; C92-Q95 WeakPolarHBondContact O-CB 3.49Å; C92-Q95 PolarHBondContact O-N 2.87Å; C92-Q95 PolarHBondContact SG-N 3.1Å; C92-Q95 VanDerWaalsContact SG-N 3.45Å; C92-T96 PolarHBondContact O-N 3.3Å; C92-T96 PolarHBondContact O-OG1 2.68Å
93	E	91.1	Very high	88	Confident	138 Å²	138	63.9 Å²	63.9	65%	0.645	33%	0.333	S	S	*	.	H	α-helix	trans	-59.9	-43.6	-179.9	-63.2	175.3	179.3	0	0	111.9	Q89 Q95 T96 A97	Q89-E93 HydrophobicContact CG-CB 4.48Å; Q89-E93 HydrophobicContact CG-CG 4.06Å; Q89-E93 PolarHBondContact O-N 3.45Å; Q89-E93 VanDerWaalsContact O-N 3.12Å; E93-Q95 VanDerWaalsContact C-N 3.3Å; E93-Q95 PolarHBondContact O-N 2.89Å; E93-T96 PolarHBondContact O-N 3.2Å; E93-A97 PolarHBondContact O-N 2.7Å
94	L	89.9	Confident	86.7	Confident	117 Å²	117	67.3 Å²	67.3	61%	0.613	37%	0.369	S	S	*	.	H	α-helix	trans	-63.5	-36.1	178.7	-71.4	177.4	0	0	0	112.3	C92 T96 Y98	C92-L94 VanDerWaalsContact C-N 3.33Å; C92-L94 PolarHBondContact O-N 2.97Å; L94-T96 VanDerWaalsContact C-N 3.31Å; L94-T96 PolarHBondContact O-N 3.13Å; L94-Y98 HydrophobicContact CB-CD2 4.42Å; L94-Y98 HydrophobicContact CB-CE2 4.4Å; L94-Y98 WeakPolarHBondContact O-CB 3.15Å; L94-Y98 WeakPolarHBondContact O-CD2 3.2Å; L94-Y98 PolarHBondContact O-N 2.7Å
95	Q	86.1	Confident	85.6	Confident	92 Å²	92	75.1 Å²	75.1	43%	0.43	40%	0.401	S	S	.	.	H	α-helix	trans	-62.6	-43.2	176.3	180	179.5	7	0	0	110.6	C92 E93 G99	C92-Q95 HydrophobicContact CB-CB 3.75Å; C92-Q95 WeakPolarHBondContact O-CB 3.49Å; C92-Q95 PolarHBondContact O-N 2.87Å; C92-Q95 PolarHBondContact SG-N 3.1Å; C92-Q95 VanDerWaalsContact SG-N 3.45Å; E93-Q95 VanDerWaalsContact C-N 3.3Å; E93-Q95 PolarHBondContact O-N 2.89Å; Q95-G99 PolarHBondContact O-N 3.33Å
96	T	86.3	Confident	84.5	Confident	19 Å²	19	78.4 Å²	78.4	12%	0.117	42%	0.418	C	S	.	.	H	α-helix	trans	-68.5	-45.7	-179.9	-54.6	0	0	0	0	110.9	T88 Q89 C92 E93 L94 Y98 G99 K100	T88-T96 VanDerWaalsContact C-OG1 3.32Å; Q89-T96 WeakPolarHBondContact CA-OG1 3.44Å; Q89-T96 HydrophobicContact CB-CG2 4.18Å; Q89-T96 PolarHBondContact N-OG1 3.3Å; Q89-T96 VanDerWaalsContact N-OG1 3.11Å; C92-T96 PolarHBondContact O-N 3.3Å; C92-T96 PolarHBondContact O-OG1 2.68Å; E93-T96 PolarHBondContact O-N 3.2Å; L94-T96 VanDerWaalsContact C-N 3.31Å; L94-T96 PolarHBondContact O-N 3.13Å; T96-Y98 PolarHBondContact O-N 3.02Å; T96-G99 PolarHBondContact O-N 2.93Å; T96-K100 PolarHBondContact O-N 3.5Å
97	A	87.1	Confident	83.5	Confident	34 Å²	34	79.2 Å²	79.2	28%	0.281	43%	0.43	S	S	.	.	H	α-helix	trans	-58.6	-49.5	176.8	0	0	0	0	0	111.7	E93 G99 K100 E101	E93-A97 PolarHBondContact O-N 2.7Å; A97-G99 VanDerWaalsContact C-N 3.32Å; A97-G99 PolarHBondContact O-N 3.37Å; A97-K100 PolarHBondContact O-N 3.16Å; A97-E101 WeakPolarHBondContact O-CB 3.43Å; A97-E101 VanDerWaalsContact O-CG 3.32Å; A97-E101 WeakPolarHBondContact O-CG 3.41Å; A97-E101 PolarHBondContact O-N 3Å
98	Y	85.5	Confident	82.6	Confident	134 Å²	134	84.5 Å²	84.5	53%	0.525	46%	0.464	S	S	.	.	H	α-helix	trans	-65.6	-34.3	176.8	-75.2	-52.8	0	0	0	112.9	L94 T96 K100 E101 L102	L94-Y98 HydrophobicContact CB-CD2 4.42Å; L94-Y98 HydrophobicContact CB-CE2 4.4Å; L94-Y98 WeakPolarHBondContact O-CB 3.15Å; L94-Y98 WeakPolarHBondContact O-CD2 3.2Å; L94-Y98 PolarHBondContact O-N 2.7Å; T96-Y98 PolarHBondContact O-N 3.02Å; Y98-K100 VanDerWaalsContact C-N 3.33Å; Y98-K100 PolarHBondContact O-N 3.15Å; Y98-E101 PolarHBondContact O-N 3.37Å; Y98-L102 HydrophobicContact CD1-CD1 4.48Å; Y98-L102 WeakPolarHBondContact O-CB 3.37Å; Y98-L102 PolarHBondContact O-N 2.88Å
99	G	83.9	Confident	81.8	Confident	41 Å²	41	89 Å²	89	42%	0.423	48%	0.482	S	S	.	.	H	α-helix	trans	-59.4	-43.2	174.1	0	0	0	0	0	112.2	Q95 T96 A97	Q95-G99 PolarHBondContact O-N 3.33Å; T96-G99 PolarHBondContact O-N 2.93Å; A97-G99 VanDerWaalsContact C-N 3.32Å; A97-G99 PolarHBondContact O-N 3.37Å
100	K	83.6	Confident	81	Confident	56 Å²	56	90.9 Å²	90.9	24%	0.243	49%	0.489	C	S	.	.	H	α-helix	trans	-75.2	-33.1	176.8	-62.8	-62.6	-176.5	-172.8	0	113.3	F76 D85 T96 A97 Y98	F76-K100 HydrophobicContact CD1-CB 3.81Å; F76-K100 HydrophobicContact CE1-CB 3.67Å; F76-K100 HydrophobicContact CE2-CB 4.43Å; F76-K100 HydrophobicContact CG-CB 4.26Å; F76-K100 HydrophobicContact CZ-CB 4.01Å; D85-K100 VanDerWaalsContact OD2-CE 3.23Å; D85-K100 WeakPolarHBondContact OD2-CE 3.38Å; D85-K100 IonicContact OD2-NZ 2.7Å; D85-K100 PolarHBondContact OD2-NZ 3.39Å; T96-K100 PolarHBondContact O-N 3.5Å; A97-K100 PolarHBondContact O-N 3.16Å; Y98-K100 VanDerWaalsContact C-N 3.33Å; Y98-K100 PolarHBondContact O-N 3.15Å
101	E	84.7	Confident	80.3	Confident	79 Å²	79	89 Å²	89	37%	0.369	48%	0.484	S	S	.	.	H	α-helix	trans	-77.1	-29.3	179	-72.8	179.8	-176	0	0	113.6	R75 F76 A97 Y98 P103	R75-E101 IonicContact CZ-OE1 3.89Å; R75-E101 VanDerWaalsContact CZ-OE1 3.3Å; R75-E101 IonicContact NH1-OE1 2.68Å; R75-E101 PolarHBondContact NH1-OE1 2.72Å; R75-E101 IonicContact NH2-OE1 3.33Å; R75-E101 PolarHBondContact NH2-OE1 3.2Å; F76-E101 HydrophobicContact CE1-CG 3.98Å; F76-E101 HydrophobicContact CZ-CG 4.15Å; A97-E101 WeakPolarHBondContact O-CB 3.43Å; A97-E101 VanDerWaalsContact O-CG 3.32Å; A97-E101 WeakPolarHBondContact O-CG 3.41Å; A97-E101 PolarHBondContact O-N 3Å; Y98-E101 PolarHBondContact O-N 3.37Å; E101-P103 VanDerWaalsContact C-CD 3.45Å
102	L	82.6	Confident	80	Confident	99 Å²	99	86 Å²	86	52%	0.518	48%	0.483	S	S	.	.	S	Bend	trans	-128.4	65.4	-175.1	-61.8	171.6	0	0	0	110.9	Y98 G104 F105	Y98-L102 HydrophobicContact CD1-CD1 4.48Å; Y98-L102 WeakPolarHBondContact O-CB 3.37Å; Y98-L102 PolarHBondContact O-N 2.88Å; L102-G104 PolarHBondContact O-N 3.29Å; L102-F105 HydrophobicContact CB-CB 4.46Å; L102-F105 PolarHBondContact O-N 3.02Å
103	P	70.7	Confident	79.6	Confident	99 Å²	99	87 Å²	87	64%	0.643	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	135.5	178.7	25.4	-33.1	0	0	0	110.4	E101	E101-P103 VanDerWaalsContact C-CD 3.45Å
104	G	66.9	Low	79.3	Confident	73 Å²	73	84.1 Å²	84.1	75%	0.753	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	-2.4	-179.2	0	0	0	0	0	115.9	L102 L106	L102-G104 PolarHBondContact O-N 3.29Å; G104-L106 PolarHBondContact O-N 3.48Å
105	F	69	Low	79.1	Confident	186 Å²	186	82.4 Å²	82.4	82%	0.816	47%	0.467	S	S	*	.			trans	-83.3	59.3	170.6	-162.6	-99.2	0	0	0	111.6	L102	L102-F105 HydrophobicContact CB-CB 4.46Å; L102-F105 PolarHBondContact O-N 3.02Å
106	L	67.4	Low	79.2	Confident	93 Å²	93	82.2 Å²	82.2	49%	0.487	47%	0.473	S	S	.	.			trans	-101.5	126.6	171.4	-79.8	163.4	0	0	0	109.6	G104	G104-L106 PolarHBondContact O-N 3.48Å
107	A	72.8	Confident	79.3	Confident	49 Å²	49	81.6 Å²	81.6	41%	0.405	47%	0.471	S	S	.	.			trans	-64.5	135.2	174.8	0	0	0	0	0	109.4	E109 K110 A111	A107-E109 PolarHBondContact O-N 2.76Å; A107-E109 VanDerWaalsContact O-N 3.1Å; A107-K110 HydrophobicContact CB-CD 4.4Å; A107-K110 HydrophobicContact CB-CG 4.29Å; A107-K110 WeakPolarHBondContact O-CA 3.45Å; A107-K110 WeakPolarHBondContact O-CB 3.47Å; A107-K110 PolarHBondContact O-N 2.77Å; A107-A111 PolarHBondContact O-N 3.39Å; A107-A111 VanDerWaalsContact O-N 3.17Å
108	P	73.8	Confident	79.3	Confident	111 Å²	111	80.9 Å²	80.9	72%	0.721	46%	0.464	S	S	*	.	H	α-helix	trans	-54.9	-34.2	-177.2	-29	34.8	0	0	0	114.6	K110 A111 A112	P108-K110 VanDerWaalsContact C-N 3.31Å; P108-K110 PolarHBondContact O-N 2.72Å; P108-A111 PolarHBondContact O-N 2.68Å; P108-A112 PolarHBondContact O-N 3.07Å
109	E	73.1	Confident	79.5	Confident	132 Å²	132	77.9 Å²	77.9	62%	0.617	46%	0.463	S	S	*	.	H	α-helix	trans	-64.4	-35.9	175.3	-175.3	-179.7	-171	0	0	112.1	A107 V113 R201	A107-E109 PolarHBondContact O-N 2.76Å; A107-E109 VanDerWaalsContact O-N 3.1Å; E109-V113 WeakPolarHBondContact O-CG2 3.1Å; E109-V113 PolarHBondContact O-N 3.46Å; E109-R201 IonicContact OE1-NH1 2.76Å; E109-R201 PolarHBondContact OE1-NH1 3.31Å
110	K	74	Confident	79.9	Confident	125 Å²	125	79.3 Å²	79.3	54%	0.543	46%	0.46	S	S	.	.	H	α-helix	trans	-69.7	-43	176.9	-68.8	-176.3	177.2	-179	0	110.8	A107 P108 V113 L114	A107-K110 HydrophobicContact CB-CD 4.4Å; A107-K110 HydrophobicContact CB-CG 4.29Å; A107-K110 WeakPolarHBondContact O-CA 3.45Å; A107-K110 WeakPolarHBondContact O-CB 3.47Å; A107-K110 PolarHBondContact O-N 2.77Å; P108-K110 VanDerWaalsContact C-N 3.31Å; P108-K110 PolarHBondContact O-N 2.72Å; K110-V113 PolarHBondContact O-N 3.13Å; K110-L114 WeakPolarHBondContact O-CG 3.46Å; K110-L114 PolarHBondContact O-N 3.3Å
111	A	78.3	Confident	80.3	Confident	31 Å²	31	78.1 Å²	78.1	26%	0.256	46%	0.456	S	S	.	.	H	α-helix	trans	-56.3	-52.5	176.1	0	0	0	0	0	111	A107 P108 V113 L114 D115	A107-A111 PolarHBondContact O-N 3.39Å; A107-A111 VanDerWaalsContact O-N 3.17Å; P108-A111 PolarHBondContact O-N 2.68Å; A111-V113 VanDerWaalsContact C-N 3.26Å; A111-V113 PolarHBondContact O-N 3.1Å; A111-V113 VanDerWaalsContact O-N 3.12Å; A111-L114 CarbonylContact O-C 3.55Å; A111-L114 WeakPolarHBondContact O-CA 3.36Å; A111-L114 WeakPolarHBondContact O-CB 3.49Å; A111-L114 PolarHBondContact O-N 2.99Å; A111-D115 PolarHBondContact O-N 3.06Å
112	A	82.8	Confident	80.6	Confident	51 Å²	51	76.1 Å²	76.1	42%	0.421	45%	0.447	S	S	.	.	H	α-helix	trans	-58.4	-34.1	-180	0	0	0	0	0	114.2	P108 T116	P108-A112 PolarHBondContact O-N 3.07Å; A112-T116 PolarHBondContact O-N 2.85Å; A112-T116 VanDerWaalsContact O-N 3.13Å; A112-T116 PolarHBondContact O-OG1 3.4Å
113	V	82.9	Confident	81.2	Confident	68 Å²	68	73.9 Å²	73.9	41%	0.412	44%	0.443	S	S	.	.	H	α-helix	trans	-71.7	-38.6	175.8	172.5	0	0	0	0	111.4	E109 K110 A111 G117	E109-V113 WeakPolarHBondContact O-CG2 3.1Å; E109-V113 PolarHBondContact O-N 3.46Å; K110-V113 PolarHBondContact O-N 3.13Å; A111-V113 VanDerWaalsContact C-N 3.26Å; A111-V113 PolarHBondContact O-N 3.1Å; A111-V113 VanDerWaalsContact O-N 3.12Å; V113-G117 PolarHBondContact O-N 3.44Å; V113-G117 VanDerWaalsContact O-N 3.09Å
114	L	83.8	Confident	82.3	Confident	78 Å²	78	71.5 Å²	71.5	41%	0.408	42%	0.421	S	S	.	.	H	α-helix	trans	-66.4	-45.7	175.4	-67.6	173.1	0	0	0	110.9	K110 A111 T116 G117 A118	K110-L114 WeakPolarHBondContact O-CG 3.46Å; K110-L114 PolarHBondContact O-N 3.3Å; A111-L114 CarbonylContact O-C 3.55Å; A111-L114 WeakPolarHBondContact O-CA 3.36Å; A111-L114 WeakPolarHBondContact O-CB 3.49Å; A111-L114 PolarHBondContact O-N 2.99Å; L114-T116 VanDerWaalsContact C-N 3.28Å; L114-T116 PolarHBondContact O-N 2.98Å; L114-G117 CarbonylContact O-C 3.6Å; L114-G117 WeakPolarHBondContact O-CA 3.4Å; L114-G117 PolarHBondContact O-N 3.26Å; L114-A118 PolarHBondContact O-N 2.76Å
115	D	85.9	Confident	83.5	Confident	80 Å²	80	69.9 Å²	69.9	43%	0.428	39%	0.394	S	S	.	.	H	α-helix	trans	-58.1	-41.5	176.8	-59.1	-17.7	0	0	0	111.4	A111 G117 A118 S119	A111-D115 PolarHBondContact O-N 3.06Å; D115-G117 VanDerWaalsContact C-N 3.31Å; D115-G117 PolarHBondContact O-N 2.88Å; D115-A118 PolarHBondContact O-N 3.14Å; D115-S119 WeakPolarHBondContact O-CB 3.13Å; D115-S119 PolarHBondContact O-N 2.99Å
116	T	88.6	Confident	84.7	Confident	88 Å²	88	65.3 Å²	65.3	54%	0.54	38%	0.377	S	S	.	.	H	α-helix	trans	-63.5	-39.8	174.8	-55	0	0	0	0	111.2	A112 L114 I120	A112-T116 PolarHBondContact O-N 2.85Å; A112-T116 VanDerWaalsContact O-N 3.13Å; A112-T116 PolarHBondContact O-OG1 3.4Å; L114-T116 VanDerWaalsContact C-N 3.28Å; L114-T116 PolarHBondContact O-N 2.98Å; T116-I120 HydrophobicContact CG2-CD1 4.41Å; T116-I120 WeakPolarHBondContact O-CD1 3.43Å; T116-I120 WeakPolarHBondContact O-CG1 3.16Å; T116-I120 PolarHBondContact O-N 3.34Å
117	G	87.6	Confident	85.9	Confident	7 Å²	7	67.2 Å²	67.2	7%	0.072	38%	0.384	C	S	.	.	H	α-helix	trans	-62.4	-51.1	174.5	0	0	0	0	0	111.6	V113 L114 D115 S119 I120 H121 T199	V113-G117 PolarHBondContact O-N 3.44Å; V113-G117 VanDerWaalsContact O-N 3.09Å; L114-G117 CarbonylContact O-C 3.6Å; L114-G117 WeakPolarHBondContact O-CA 3.4Å; L114-G117 PolarHBondContact O-N 3.26Å; D115-G117 VanDerWaalsContact C-N 3.31Å; D115-G117 PolarHBondContact O-N 2.88Å; G117-S119 VanDerWaalsContact C-N 3.33Å; G117-S119 PolarHBondContact O-N 3.37Å; G117-I120 WeakPolarHBondContact O-CB 3.11Å; G117-I120 PolarHBondContact O-N 2.83Å; G117-H121 PolarHBondContact O-CD2 3.33Å; G117-H121 VanDerWaalsContact O-CD2 3.29Å; G117-H121 PolarHBondContact O-N 3.33Å; G117-H121 VanDerWaalsContact O-N 3.08Å; G117-T199 WeakPolarHBondContact CA-OG1 3.5Å
118	A	87.2	Confident	86.8	Confident	18 Å²	18	67.1 Å²	67.1	15%	0.149	38%	0.376	C	S	.	.	H	α-helix	trans	-57.3	-44.8	178.5	0	0	0	0	0	111.6	L114 D115 I120 H121 L122	L114-A118 PolarHBondContact O-N 2.76Å; D115-A118 PolarHBondContact O-N 3.14Å; A118-I120 PolarHBondContact O-N 3.17Å; A118-H121 PolarHBondContact O-N 2.78Å; A118-H121 VanDerWaalsContact O-N 3.09Å; A118-L122 WeakPolarHBondContact O-CB 3.34Å; A118-L122 PolarHBondContact O-N 3.11Å
119	S	90.3	Very high	87.6	Confident	71 Å²	71	63.1 Å²	63.1	50%	0.497	35%	0.348	S	S	.	.	H	α-helix	trans	-58.5	-34.8	175.4	175.8	0	0	0	0	113.2	D115 G117 A123	D115-S119 WeakPolarHBondContact O-CB 3.13Å; D115-S119 PolarHBondContact O-N 2.99Å; G117-S119 VanDerWaalsContact C-N 3.33Å; G117-S119 PolarHBondContact O-N 3.37Å; S119-A123 WeakPolarHBondContact O-CB 3.3Å; S119-A123 PolarHBondContact O-N 3.47Å
120	I	91.9	Very high	88.4	Confident	72 Å²	72	64.4 Å²	64.4	37%	0.369	36%	0.359	S	S	.	.	H	α-helix	trans	-71.6	-41.3	175.7	-67.6	164.1	0	0	0	111	T116 G117 A118 A123 R124 L197 T199	T116-I120 HydrophobicContact CG2-CD1 4.41Å; T116-I120 WeakPolarHBondContact O-CD1 3.43Å; T116-I120 WeakPolarHBondContact O-CG1 3.16Å; T116-I120 PolarHBondContact O-N 3.34Å; G117-I120 WeakPolarHBondContact O-CB 3.11Å; G117-I120 PolarHBondContact O-N 2.83Å; A118-I120 PolarHBondContact O-N 3.17Å; I120-A123 PolarHBondContact O-N 3.46Å; I120-R124 WeakPolarHBondContact O-CG 3.28Å; I120-R124 PolarHBondContact O-N 2.97Å; I120-R124 VanDerWaalsContact O-N 3.11Å; I120-L197 HydrophobicContact CG2-CD2 4.33Å; I120-T199 HydrophobicContact CB-CG2 4.09Å; I120-T199 HydrophobicContact CD1-CG2 3.84Å; I120-T199 HydrophobicContact CG2-CG2 3.93Å
121	H	92.1	Very high	89.2	Confident	31 Å²	31	62.4 Å²	62.4	14%	0.144	35%	0.354	C	S	.	.	H	α-helix	trans	-63.3	-46.6	175.7	-79	-111.7	0	0	0	111	G117 A118 A123 R124 E125 E165 D182 L197	G117-H121 PolarHBondContact O-CD2 3.33Å; G117-H121 VanDerWaalsContact O-CD2 3.29Å; G117-H121 PolarHBondContact O-N 3.33Å; G117-H121 VanDerWaalsContact O-N 3.08Å; A118-H121 PolarHBondContact O-N 2.78Å; A118-H121 VanDerWaalsContact O-N 3.09Å; H121-A123 PolarHBondContact O-N 3.39Å; H121-R124 CarbonylContact O-C 3.57Å; H121-R124 WeakPolarHBondContact O-CA 3.29Å; H121-R124 WeakPolarHBondContact O-CB 3.44Å; H121-R124 PolarHBondContact O-N 3.32Å; H121-E125 PolarHBondContact O-N 3.12Å; H121-E165 IonicContact ND1-OE1 2.64Å; H121-D182 IonicContact CE1-OD1 2.71Å; H121-D182 PolarHBondContact CE1-OD1 3.37Å; H121-D182 IonicContact CE1-OD2 3.58Å; H121-D182 PolarHBondContact CE1-OD2 3.3Å; H121-D182 VanDerWaalsContact CE1-OD2 3.3Å; H121-D182 IonicContact ND1-OD1 3.3Å; H121-D182 PolarHBondContact ND1-OD1 3.45Å; H121-D182 IonicContact ND1-OD2 3.68Å; H121-L197 PolarHBondContact CE1-O 3.08Å; H121-L197 PolarHBondContact NE2-O 3.06Å
122	L	91.6	Very high	89.7	Confident	37 Å²	37	66.6 Å²	66.6	19%	0.194	38%	0.376	C	S	.	.	H	α-helix	trans	-55.4	-49	173.7	173.1	62.1	0	0	0	112.5	S18 A118 R124 E125 L126 L131	S18-L122 WeakPolarHBondContact OG-CD1 3.31Å; S18-L122 WeakPolarHBondContact OG-CD2 3.06Å; A118-L122 WeakPolarHBondContact O-CB 3.34Å; A118-L122 PolarHBondContact O-N 3.11Å; L122-R124 PolarHBondContact O-N 2.91Å; L122-E125 PolarHBondContact O-N 3Å; L122-E125 VanDerWaalsContact O-N 3.12Å; L122-L126 HydrophobicContact CD1-CD1 3.84Å; L122-L126 HydrophobicContact CD1-CG 4.01Å; L122-L126 HydrophobicContact CG-CD1 3.92Å; L122-L126 HydrophobicContact CG-CG 4.48Å; L122-L126 WeakPolarHBondContact O-CG 3.13Å; L122-L126 PolarHBondContact O-N 2.59Å; L122-L131 HydrophobicContact CD1-CD1 3.48Å; L122-L131 VanDerWaalsContact CD1-CD1 3.48Å
123	A	93.7	Very high	90	Very high	51 Å²	51	70.1 Å²	70.1	42%	0.421	39%	0.393	S	S	.	.	H	α-helix	trans	-58.9	-36.5	179.4	0	0	0	0	0	111.2	S119 I120 H121 E127	S119-A123 WeakPolarHBondContact O-CB 3.3Å; S119-A123 PolarHBondContact O-N 3.47Å; I120-A123 PolarHBondContact O-N 3.46Å; H121-A123 PolarHBondContact O-N 3.39Å; A123-E127 WeakPolarHBondContact O-CG 3.36Å; A123-E127 PolarHBondContact O-N 3.24Å
124	R	93.8	Very high	90.2	Very high	49 Å²	49	70.6 Å²	70.6	19%	0.185	40%	0.395	C	S	.	.	H	α-helix	trans	-71	-41.1	174.6	-71.7	-178.3	81.5	-131.5	0.7	112.1	I120 H121 L122 L126 E127 R164 E183	I120-R124 WeakPolarHBondContact O-CG 3.28Å; I120-R124 PolarHBondContact O-N 2.97Å; I120-R124 VanDerWaalsContact O-N 3.11Å; H121-R124 CarbonylContact O-C 3.57Å; H121-R124 WeakPolarHBondContact O-CA 3.29Å; H121-R124 WeakPolarHBondContact O-CB 3.44Å; H121-R124 PolarHBondContact O-N 3.32Å; L122-R124 PolarHBondContact O-N 2.91Å; R124-L126 VanDerWaalsContact C-N 3.3Å; R124-L126 PolarHBondContact O-N 2.72Å; R124-E127 WeakPolarHBondContact O-CB 3.38Å; R124-E127 PolarHBondContact O-N 3.04Å; R124-R164 VanDerWaalsContact C-NH1 3.31Å; R124-R164 VanDerWaalsContact CA-NH1 3.33Å; R124-R164 VanDerWaalsContact CB-NH1 3.32Å; R124-R164 WeakPolarHBondContact O-CD 3.26Å; R124-R164 PolarHBondContact O-NH1 3.49Å; R124-E183 IonicContact CZ-OE2 2.59Å; R124-E183 IonicContact NH2-OE2 3.96Å; R124-E183 PolarHBondContact NH2-OE2 3.34Å
125	E	92.7	Very high	90.5	Very high	40 Å²	40	72.3 Å²	72.3	19%	0.187	41%	0.411	C	S	.	.	H	α-helix	trans	-59.3	-45.3	176.1	-172.6	-179.5	-168.5	0	0	110.9	H121 L122 E127 L128 H129 L131 E165	H121-E125 PolarHBondContact O-N 3.12Å; L122-E125 PolarHBondContact O-N 3Å; L122-E125 VanDerWaalsContact O-N 3.12Å; E125-E127 PolarHBondContact O-N 2.76Å; E125-E127 VanDerWaalsContact O-N 3.14Å; E125-L128 PolarHBondContact O-N 3.45Å; E125-H129 HydrophobicContact CG-CB 4.33Å; E125-H129 PolarHBondContact O-N 3.2Å; E125-L131 HydrophobicContact CG-CD2 4.39Å; E125-L131 WeakPolarHBondContact OE1-CD2 3.35Å; E125-E165 HydrophobicContact CB-CG 3.93Å; E125-E165 HydrophobicContact CG-CB 4.28Å; E125-E165 HydrophobicContact CG-CG 3.78Å
126	L	94.1	Very high	90.7	Very high	90 Å²	90	70.7 Å²	70.7	47%	0.471	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-13.1	178.7	-69.5	171.1	0	0	0	114.5	L122 R124 L128 H129 L131	L122-L126 HydrophobicContact CD1-CD1 3.84Å; L122-L126 HydrophobicContact CD1-CG 4.01Å; L122-L126 HydrophobicContact CG-CD1 3.92Å; L122-L126 HydrophobicContact CG-CG 4.48Å; L122-L126 WeakPolarHBondContact O-CG 3.13Å; L122-L126 PolarHBondContact O-N 2.59Å; R124-L126 VanDerWaalsContact C-N 3.3Å; R124-L126 PolarHBondContact O-N 2.72Å; L126-L128 VanDerWaalsContact C-N 3.26Å; L126-H129 WeakPolarHBondContact CA-O 3.37Å; L126-L131 HydrophobicContact CD2-CB 4.21Å; L126-L131 HydrophobicContact CD2-CD1 3.87Å; L126-L131 HydrophobicContact CD2-CG 3.76Å; L126-L131 HydrophobicContact CG-CD1 4.35Å
127	E	94.1	Very high	90.8	Very high	133 Å²	133	71.6 Å²	71.6	62%	0.621	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-26.2	170.3	-71.1	169.6	-172.9	0	0	111.9	A123 R124 E125 R164	A123-E127 WeakPolarHBondContact O-CG 3.36Å; A123-E127 PolarHBondContact O-N 3.24Å; R124-E127 WeakPolarHBondContact O-CB 3.38Å; R124-E127 PolarHBondContact O-N 3.04Å; E125-E127 PolarHBondContact O-N 2.76Å; E125-E127 VanDerWaalsContact O-N 3.14Å; E127-R164 IonicContact OE2-CZ 3.77Å; E127-R164 IonicContact OE2-NH1 3.96Å; E127-R164 PolarHBondContact OE2-NH1 3.23Å; E127-R164 IonicContact OE2-NH2 3.71Å
128	L	90.7	Very high	91	Very high	47 Å²	47	74.1 Å²	74.1	25%	0.246	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-33	-175	-58.9	-176	0	0	0	113.3	E125 L126 H162 R164	E125-L128 PolarHBondContact O-N 3.45Å; L126-L128 VanDerWaalsContact C-N 3.26Å; L128-H162 WeakPolarHBondContact CD2-NE2 3.41Å; L128-R164 HydrophobicContact CD1-CB 4.29Å; L128-R164 HydrophobicContact CD1-CG 3.71Å
129	H	90.6	Very high	90.9	Very high	26 Å²	26	77.2 Å²	77.2	12%	0.12	43%	0.434	C	S	.	.			trans	-123	139.5	-169.9	-52.8	148.9	0	0	0	111.9	E125 L126 L153 R164	E125-H129 HydrophobicContact CG-CB 4.33Å; E125-H129 PolarHBondContact O-N 3.2Å; L126-H129 WeakPolarHBondContact CA-O 3.37Å; H129-L153 VanDerWaalsContact CE1-CD2 3.44Å; H129-L153 WeakPolarHBondContact CE1-CD2 3.41Å; H129-L153 WeakPolarHBondContact NE2-CD2 3.34Å; H129-R164 PolarHBondContact CE1-N 3.04Å; H129-R164 PolarHBondContact CE1-O 2.8Å
130	D	90.9	Very high	91	Very high	159 Å²	159	80.3 Å²	80.3	85%	0.85	44%	0.44	S	S	*	.			trans	-86.2	113.6	167.2	-70.3	-38.4	0	0	0	109.5
131	L	88.9	Confident	90.9	Very high	83 Å²	83	79.5 Å²	79.5	44%	0.435	44%	0.437	S	S	.	.			trans	-76	129.8	178.3	-66.8	-176	0	0	0	111.6	L122 E125 L126	L122-L131 HydrophobicContact CD1-CD1 3.48Å; L122-L131 VanDerWaalsContact CD1-CD1 3.48Å; E125-L131 HydrophobicContact CG-CD2 4.39Å; E125-L131 WeakPolarHBondContact OE1-CD2 3.35Å; L126-L131 HydrophobicContact CD2-CB 4.21Å; L126-L131 HydrophobicContact CD2-CD1 3.87Å; L126-L131 HydrophobicContact CD2-CG 3.76Å; L126-L131 HydrophobicContact CG-CD1 4.35Å
132	V	89.6	Confident	90.8	Very high	120 Å²	120	78.6 Å²	78.6	73%	0.727	44%	0.435	S	S	*	.			trans	-116.7	124.6	176.4	180	0	0	0	0	109.4	V134	V132-V134 HydrophobicContact CG1-CG2 4.45Å; V132-V134 PolarHBondContact O-N 3.19Å
133	T	89.3	Confident	90.8	Very high	125 Å²	125	79.4 Å²	79.4	77%	0.767	44%	0.435	S	S	*	.			trans	-74.4	118.8	175.2	-51.8	0	0	0	0	110.4
134	V	87.8	Confident	90.8	Very high	78 Å²	78	79.6 Å²	79.6	47%	0.473	44%	0.437	S	S	.	.			trans	-114.3	126.6	176.3	-177.7	0	0	0	0	108.6	V132 V136 I145	V132-V134 HydrophobicContact CG1-CG2 4.45Å; V132-V134 PolarHBondContact O-N 3.19Å; V134-V136 PolarHBondContact O-N 3.15Å; V134-I145 HydrophobicContact CB-CD1 3.96Å; V134-I145 HydrophobicContact CG1-CD1 3.84Å; V134-I145 HydrophobicContact CG1-CG1 4.35Å
135	P	89.3	Confident	90.8	Very high	113 Å²	113	79.3 Å²	79.3	73%	0.734	44%	0.438	S	S	*	.			trans	-67.4	129.6	174.9	28.3	-33.2	0	0	0	110
136	V	89.8	Confident	90.7	Very high	47 Å²	47	78.5 Å²	78.5	29%	0.285	43%	0.434	S	S	.	.			trans	-111.6	126.9	177.5	179.8	0	0	0	0	107.7	L29 V134 D141 A142 I145	L29-V136 HydrophobicContact CD2-CG1 3.94Å; V134-V136 PolarHBondContact O-N 3.15Å; V136-D141 HydrophobicContact CG1-CB 3.92Å; V136-A142 HydrophobicContact CG1-CB 3.96Å; V136-I145 HydrophobicContact CG2-CD1 3.36Å
137	T	91.9	Very high	90.8	Very high	107 Å²	107	78.8 Å²	78.8	66%	0.656	43%	0.432	S	S	*	.			trans	-120.2	-22.7	179.7	61.1	0	0	0	0	113.2	D141	T137-D141 PolarHBondContact N-OD2 3.43Å; T137-D141 PolarHBondContact OG1-OD2 2.81Å
138	T	90.3	Very high	90.9	Very high	60 Å²	60	77 Å²	77	37%	0.368	43%	0.426	S	S	.	.	S	Bend	trans	-129.5	162.8	-177.6	66.6	0	0	0	0	111.3	E140 D141 A142	T138-E140 WeakPolarHBondContact CB-OE2 3.4Å; T138-E140 PolarHBondContact O-N 3.4Å; T138-D141 PolarHBondContact N-OD2 2.92Å; T138-D141 WeakPolarHBondContact O-CB 3.37Å; T138-D141 PolarHBondContact O-N 2.74Å; T138-D141 PolarHBondContact OG1-N 3.41Å; T138-D141 PolarHBondContact OG1-OD1 3.31Å; T138-D141 PolarHBondContact OG1-OD2 3.35Å; T138-A142 PolarHBondContact O-N 3.38Å
139	K	85.9	Confident	91	Very high	83 Å²	83	77.9 Å²	77.9	36%	0.361	43%	0.431	S	S	.	.	H	α-helix	trans	-63.9	-34.2	174.9	-63.1	-178.3	-176.9	-179.3	0	110.3	D33 A142 W143	D33-K139 IonicContact OD1-NZ 3.37Å; D33-K139 PolarHBondContact OD1-NZ 3.16Å; D33-K139 IonicContact OD2-NZ 2.7Å; D33-K139 PolarHBondContact OD2-NZ 3.4Å; K139-A142 PolarHBondContact O-N 3.16Å; K139-W143 PolarHBondContact O-N 3.43Å; K139-W143 VanDerWaalsContact O-N 3.14Å
140	E	91.8	Very high	91.3	Very high	136 Å²	136	77.9 Å²	77.9	64%	0.636	43%	0.432	S	S	*	.	H	α-helix	trans	-64.7	-39.7	175.5	-65.2	70.3	-157	0	0	111.4	T138 A142 W143 A144	T138-E140 WeakPolarHBondContact CB-OE2 3.4Å; T138-E140 PolarHBondContact O-N 3.4Å; E140-A142 PolarHBondContact O-N 2.92Å; E140-W143 PolarHBondContact O-N 3.19Å; E140-A144 VanDerWaalsContact O-CB 3.31Å; E140-A144 WeakPolarHBondContact O-CB 3.33Å; E140-A144 PolarHBondContact O-N 2.97Å
141	D	91.1	Very high	91.5	Very high	54 Å²	54	76 Å²	76	29%	0.289	42%	0.421	S	S	.	.	H	α-helix	trans	-61.2	-44.6	174.8	-62.4	-27.8	0	0	0	111.1	V136 T137 T138 W143 A144 I145	V136-D141 HydrophobicContact CG1-CB 3.92Å; T137-D141 PolarHBondContact N-OD2 3.43Å; T137-D141 PolarHBondContact OG1-OD2 2.81Å; T138-D141 PolarHBondContact N-OD2 2.92Å; T138-D141 WeakPolarHBondContact O-CB 3.37Å; T138-D141 PolarHBondContact O-N 2.74Å; T138-D141 PolarHBondContact OG1-N 3.41Å; T138-D141 PolarHBondContact OG1-OD1 3.31Å; T138-D141 PolarHBondContact OG1-OD2 3.35Å; D141-W143 VanDerWaalsContact C-N 3.34Å; D141-W143 PolarHBondContact O-N 3.3Å; D141-A144 WeakPolarHBondContact O-CB 3.46Å; D141-A144 PolarHBondContact O-N 3.49Å; D141-I145 WeakPolarHBondContact O-CG1 3.47Å; D141-I145 PolarHBondContact O-N 3.04Å
142	A	88.4	Confident	91.8	Very high	12 Å²	12	76.9 Å²	76.9	10%	0.099	43%	0.426	C	S	.	.	H	α-helix	trans	-61	-42.9	178.3	0	0	0	0	0	111.9	L29 V136 T138 K139 E140 K146	L29-A142 HydrophobicContact CD1-CB 3.91Å; V136-A142 HydrophobicContact CG1-CB 3.96Å; T138-A142 PolarHBondContact O-N 3.38Å; K139-A142 PolarHBondContact O-N 3.16Å; E140-A142 PolarHBondContact O-N 2.92Å; A142-K146 WeakPolarHBondContact O-CG 3.35Å; A142-K146 PolarHBondContact O-N 3.44Å
143	W	92.3	Very high	92.1	Very high	54 Å²	54	72 Å²	72	21%	0.205	40%	0.395	C	S	.	.	H	α-helix	trans	-67.5	-40.1	174.3	-85.2	97.9	0	0	0	112.4	Y80 K139 E140 D141 I145 K146 F147 F169 L176 V178	Y80-W143 HydrophobicContact CD1-CZ2 4.36Å; Y80-W143 HydrophobicContact CE1-CZ2 4.27Å; K139-W143 PolarHBondContact O-N 3.43Å; K139-W143 VanDerWaalsContact O-N 3.14Å; E140-W143 PolarHBondContact O-N 3.19Å; D141-W143 VanDerWaalsContact C-N 3.34Å; D141-W143 PolarHBondContact O-N 3.3Å; W143-I145 VanDerWaalsContact C-N 3.28Å; W143-I145 PolarHBondContact O-N 3.02Å; W143-K146 HydrophobicContact CE3-CD 4.38Å; W143-K146 WeakPolarHBondContact O-CB 3.48Å; W143-K146 PolarHBondContact O-N 3.22Å; W143-K146 VanDerWaalsContact O-N 3.13Å; W143-F147 HydrophobicContact CB-CD2 4.48Å; W143-F147 HydrophobicContact CB-CE2 4.14Å; W143-F147 AromaticContact CE3-CE2 3.97Å; W143-F147 HydrophobicContact CE3-CE2 3.97Å; W143-F147 AromaticContact CE3-CZ 3.97Å; W143-F147 HydrophobicContact CE3-CZ 3.97Å; W143-F147 HydrophobicContact CZ3-CZ 4.46Å; W143-F147 WeakPolarHBondContact O-CD2 3.33Å; W143-F147 PolarHBondContact O-N 3.37Å; W143-F169 HydrophobicContact CH2-CB 4.45Å; W143-F169 HydrophobicContact CH2-CG 4.49Å; W143-F169 AromaticContact CZ3-CD1 3.97Å; W143-F169 HydrophobicContact CZ3-CD1 3.97Å; W143-F169 HydrophobicContact CZ3-CE1 4.43Å; W143-F169 HydrophobicContact CZ3-CG 4.11Å; W143-L176 HydrophobicContact CH2-CD2 3.87Å; W143-L176 HydrophobicContact CZ2-CD2 4.06Å; W143-V178 HydrophobicContact CH2-CG2 3.89Å; W143-V178 HydrophobicContact CZ2-CG2 4.29Å
144	A	94.1	Very high	92.4	Very high	55 Å²	55	69.3 Å²	69.3	46%	0.455	38%	0.376	S	S	.	.	H	α-helix	trans	-58.9	-40.8	177.1	0	0	0	0	0	111.6	E140 D141 F147 L148	E140-A144 VanDerWaalsContact O-CB 3.31Å; E140-A144 WeakPolarHBondContact O-CB 3.33Å; E140-A144 PolarHBondContact O-N 2.97Å; D141-A144 WeakPolarHBondContact O-CB 3.46Å; D141-A144 PolarHBondContact O-N 3.49Å; A144-F147 PolarHBondContact O-N 3.09Å; A144-L148 WeakPolarHBondContact O-CB 3.46Å; A144-L148 PolarHBondContact O-N 3.13Å
145	I	92.5	Very high	92.8	Very high	43 Å²	43	68.8 Å²	68.8	22%	0.221	37%	0.374	C	S	.	.	H	α-helix	trans	-63.1	-44.4	174.5	-68.3	168.2	0	0	0	111.1	V134 V136 D141 W143 F147 L148 N149	V134-I145 HydrophobicContact CB-CD1 3.96Å; V134-I145 HydrophobicContact CG1-CD1 3.84Å; V134-I145 HydrophobicContact CG1-CG1 4.35Å; V136-I145 HydrophobicContact CG2-CD1 3.36Å; D141-I145 WeakPolarHBondContact O-CG1 3.47Å; D141-I145 PolarHBondContact O-N 3.04Å; W143-I145 VanDerWaalsContact C-N 3.28Å; W143-I145 PolarHBondContact O-N 3.02Å; I145-F147 VanDerWaalsContact C-N 3.34Å; I145-F147 PolarHBondContact O-N 3.04Å; I145-L148 PolarHBondContact O-N 2.72Å; I145-N149 WeakPolarHBondContact O-CB 3.34Å; I145-N149 VanDerWaalsContact O-CG 3.28Å; I145-N149 PolarHBondContact O-N 3.09Å; I145-N149 PolarHBondContact O-OD1 2.87Å
146	K	92.6	Very high	93.1	Very high	23 Å²	23	65.1 Å²	65.1	10%	0.1	35%	0.349	C	S	.	.	H	α-helix	trans	-58.7	-45.5	176.2	-67.8	177.1	-176.6	-174.2	0	111.8	A142 W143 N149 I150 P167	A142-K146 WeakPolarHBondContact O-CG 3.35Å; A142-K146 PolarHBondContact O-N 3.44Å; W143-K146 HydrophobicContact CE3-CD 4.38Å; W143-K146 WeakPolarHBondContact O-CB 3.48Å; W143-K146 PolarHBondContact O-N 3.22Å; W143-K146 VanDerWaalsContact O-N 3.13Å; K146-N149 PolarHBondContact O-N 3.24Å; K146-I150 WeakPolarHBondContact O-CG1 3.17Å; K146-I150 PolarHBondContact O-N 3.15Å; K146-P167 HydrophobicContact CB-CB 4.49Å
147	F	95.3	Very high	93.4	Very high	96 Å²	96	63.5 Å²	63.5	42%	0.421	34%	0.339	S	S	.	.	H	α-helix	trans	-63.3	-41.8	176.2	-69.5	-60.7	0	0	0	112.1	W143 A144 I145 I150 L151 F169	W143-F147 HydrophobicContact CB-CD2 4.48Å; W143-F147 HydrophobicContact CB-CE2 4.14Å; W143-F147 AromaticContact CE3-CE2 3.97Å; W143-F147 HydrophobicContact CE3-CE2 3.97Å; W143-F147 AromaticContact CE3-CZ 3.97Å; W143-F147 HydrophobicContact CE3-CZ 3.97Å; W143-F147 HydrophobicContact CZ3-CZ 4.46Å; W143-F147 WeakPolarHBondContact O-CD2 3.33Å; W143-F147 PolarHBondContact O-N 3.37Å; A144-F147 PolarHBondContact O-N 3.09Å; I145-F147 VanDerWaalsContact C-N 3.34Å; I145-F147 PolarHBondContact O-N 3.04Å; F147-I150 PolarHBondContact O-N 2.73Å; F147-L151 VanDerWaalsContact O-CG 3.31Å; F147-L151 WeakPolarHBondContact O-CG 3.33Å; F147-L151 PolarHBondContact O-N 2.87Å; F147-F169 HydrophobicContact CD1-CE1 4.21Å; F147-F169 HydrophobicContact CD1-CZ 4.14Å; F147-F169 AromaticContact CE1-CE1 3.79Å; F147-F169 HydrophobicContact CE1-CE1 3.79Å; F147-F169 HydrophobicContact CE1-CE2 4.31Å; F147-F169 AromaticContact CE1-CZ 3.44Å; F147-F169 HydrophobicContact CE1-CZ 3.44Å; F147-F169 VanDerWaalsContact CE1-CZ 3.44Å; F147-F169 HydrophobicContact CZ-CZ 4.31Å
148	L	95.5	Very high	93.6	Very high	95 Å²	95	64.9 Å²	64.9	50%	0.497	34%	0.338	S	S	.	.	H	α-helix	trans	-63.2	-44.6	177.3	-176.8	59.3	0	0	0	111.2	A144 I145 I150 L151 L152	A144-L148 WeakPolarHBondContact O-CB 3.46Å; A144-L148 PolarHBondContact O-N 3.13Å; I145-L148 PolarHBondContact O-N 2.72Å; L148-I150 VanDerWaalsContact C-N 3.34Å; L148-I150 PolarHBondContact O-N 2.88Å; L148-L151 PolarHBondContact O-N 2.89Å; L148-L151 VanDerWaalsContact O-N 3.16Å; L148-L152 HydrophobicContact CD1-CD1 4.19Å; L148-L152 HydrophobicContact CD1-CG 4.21Å; L148-L152 HydrophobicContact CG-CD1 3.93Å; L148-L152 HydrophobicContact CG-CG 4.38Å; L148-L152 WeakPolarHBondContact O-CB 3.33Å; L148-L152 VanDerWaalsContact O-CG 3.27Å; L148-L152 WeakPolarHBondContact O-CG 2.94Å; L148-L152 PolarHBondContact O-N 3.4Å
149	N	93.9	Very high	93.8	Very high	66 Å²	66	66.4 Å²	66.4	35%	0.353	35%	0.351	S	S	.	.	H	α-helix	trans	-58.7	-45.7	176	-71.9	-4.2	0	0	0	110.9	I145 K146 L151 L152 L153 P167	I145-N149 WeakPolarHBondContact O-CB 3.34Å; I145-N149 VanDerWaalsContact O-CG 3.28Å; I145-N149 PolarHBondContact O-N 3.09Å; I145-N149 PolarHBondContact O-OD1 2.87Å; K146-N149 PolarHBondContact O-N 3.24Å; N149-L151 PolarHBondContact O-N 3.29Å; N149-L152 PolarHBondContact O-N 2.8Å; N149-L153 VanDerWaalsContact O-CB 3.27Å; N149-L153 WeakPolarHBondContact O-CB 3.37Å; N149-L153 WeakPolarHBondContact O-CG 3.28Å; N149-L153 PolarHBondContact O-N 3.31Å; N149-P167 HydrophobicContact CB-CG 4.04Å
150	I	95.6	Very high	94.2	Very high	26 Å²	26	67.8 Å²	67.8	13%	0.133	36%	0.359	C	S	.	.	H	α-helix	trans	-58	-47.5	175	-69.9	165.4	0	0	0	111.2	K146 F147 L148 L152 L153 I154 F166 P167 F169	K146-I150 WeakPolarHBondContact O-CG1 3.17Å; K146-I150 PolarHBondContact O-N 3.15Å; F147-I150 PolarHBondContact O-N 2.73Å; L148-I150 VanDerWaalsContact C-N 3.34Å; L148-I150 PolarHBondContact O-N 2.88Å; I150-L152 VanDerWaalsContact C-N 3.26Å; I150-L152 PolarHBondContact O-N 3.03Å; I150-L153 PolarHBondContact O-N 2.66Å; I150-I154 HydrophobicContact CG2-CD1 3.58Å; I150-I154 HydrophobicContact CG2-CG1 4.3Å; I150-I154 WeakPolarHBondContact O-CD1 3.25Å; I150-I154 VanDerWaalsContact O-CG1 3.26Å; I150-I154 WeakPolarHBondContact O-CG1 3.45Å; I150-I154 PolarHBondContact O-N 2.81Å; I150-F166 HydrophobicContact CG1-CE2 4.37Å; I150-F166 HydrophobicContact CG1-CZ 4.21Å; I150-F166 HydrophobicContact CG2-CE2 4.35Å; I150-F166 HydrophobicContact CG2-CZ 4.06Å; I150-P167 HydrophobicContact CD1-CB 4.26Å; I150-P167 WeakPolarHBondContact CD1-O 3.45Å; I150-P167 HydrophobicContact CG1-CB 4.13Å; I150-P167 HydrophobicContact CG1-CG 4.32Å; I150-P167 WeakPolarHBondContact CG1-O 2.92Å; I150-F169 HydrophobicContact CD1-CD1 4.23Å; I150-F169 HydrophobicContact CD1-CE1 3.52Å; I150-F169 HydrophobicContact CD1-CZ 4.41Å
151	L	96.5	Very high	94.4	Very high	120 Å²	120	62.2 Å²	62.2	63%	0.628	34%	0.338	S	S	*	.	H	α-helix	trans	-64.3	-30.3	-179.8	-70.6	173.4	0	0	0	113.1	F147 L148 N149 P155	F147-L151 VanDerWaalsContact O-CG 3.31Å; F147-L151 WeakPolarHBondContact O-CG 3.33Å; F147-L151 PolarHBondContact O-N 2.87Å; L148-L151 PolarHBondContact O-N 2.89Å; L148-L151 VanDerWaalsContact O-N 3.16Å; N149-L151 PolarHBondContact O-N 3.29Å; L151-P155 WeakPolarHBondContact O-CD 3.49Å
152	L	94.9	Very high	94.6	Very high	102 Å²	102	62.8 Å²	62.8	53%	0.534	34%	0.339	S	S	.	.	H	α-helix	trans	-81	-40.5	177	-68.8	173.8	0	0	0	112.2	L148 N149 I150 P155 T156	L148-L152 HydrophobicContact CD1-CD1 4.19Å; L148-L152 HydrophobicContact CD1-CG 4.21Å; L148-L152 HydrophobicContact CG-CD1 3.93Å; L148-L152 HydrophobicContact CG-CG 4.38Å; L148-L152 WeakPolarHBondContact O-CB 3.33Å; L148-L152 VanDerWaalsContact O-CG 3.27Å; L148-L152 WeakPolarHBondContact O-CG 2.94Å; L148-L152 PolarHBondContact O-N 3.4Å; N149-L152 PolarHBondContact O-N 2.8Å; I150-L152 VanDerWaalsContact C-N 3.26Å; I150-L152 PolarHBondContact O-N 3.03Å; L152-P155 WeakPolarHBondContact O-CD 3.35Å; L152-T156 PolarHBondContact O-OG1 3.27Å; L152-T156 VanDerWaalsContact O-OG1 3.12Å
153	L	96.1	Very high	95	Very high	16 Å²	16	62.2 Å²	62.2	8%	0.084	33%	0.334	C	S	.	.	H	α-helix	trans	-75.6	-31	-175.8	-69.2	174.9	0	0	0	113.1	H129 N149 I150 T156 L157 I163 F166	H129-L153 VanDerWaalsContact CE1-CD2 3.44Å; H129-L153 WeakPolarHBondContact CE1-CD2 3.41Å; H129-L153 WeakPolarHBondContact NE2-CD2 3.34Å; N149-L153 VanDerWaalsContact O-CB 3.27Å; N149-L153 WeakPolarHBondContact O-CB 3.37Å; N149-L153 WeakPolarHBondContact O-CG 3.28Å; N149-L153 PolarHBondContact O-N 3.31Å; I150-L153 PolarHBondContact O-N 2.66Å; L153-T156 PolarHBondContact O-N 3.22Å; L153-L157 WeakPolarHBondContact O-CB 3.46Å; L153-L157 PolarHBondContact O-N 3.39Å; L153-I163 HydrophobicContact CB-CD1 3.87Å; L153-I163 HydrophobicContact CD2-CB 4.41Å; L153-I163 HydrophobicContact CD2-CG2 4.28Å; L153-F166 HydrophobicContact CB-CD2 3.84Å; L153-F166 HydrophobicContact CB-CE2 4.08Å; L153-F166 HydrophobicContact CD1-CD2 3.84Å
154	I	95.8	Very high	95.2	Very high	70 Å²	70	60.9 Å²	60.9	36%	0.359	33%	0.329	S	S	.	.	H	α-helix	trans	-59.4	-52	179.2	-72.8	165.2	0	0	0	111.9	I150 T156 L157 Q158 F166	I150-I154 HydrophobicContact CG2-CD1 3.58Å; I150-I154 HydrophobicContact CG2-CG1 4.3Å; I150-I154 WeakPolarHBondContact O-CD1 3.25Å; I150-I154 VanDerWaalsContact O-CG1 3.26Å; I150-I154 WeakPolarHBondContact O-CG1 3.45Å; I150-I154 PolarHBondContact O-N 2.81Å; I154-T156 VanDerWaalsContact C-N 3.32Å; I154-T156 PolarHBondContact O-N 2.95Å; I154-L157 PolarHBondContact O-N 3.48Å; I154-Q158 WeakPolarHBondContact O-CG 3.25Å; I154-Q158 PolarHBondContact O-N 2.93Å; I154-F166 HydrophobicContact CG1-CE2 4.1Å; I154-F166 HydrophobicContact CG1-CZ 4.26Å
155	P	96.2	Very high	95.2	Very high	67 Å²	67	60.3 Å²	60.3	44%	0.435	32%	0.317	S	S	.	.	H	α-helix	trans	-59.1	-40.9	174.6	-25.5	34.3	0	0	0	113.1	L151 L152 L157 Q158 S159	L151-P155 WeakPolarHBondContact O-CD 3.49Å; L152-P155 WeakPolarHBondContact O-CD 3.35Å; P155-L157 PolarHBondContact O-N 3.31Å; P155-Q158 WeakPolarHBondContact O-CB 3.42Å; P155-Q158 PolarHBondContact O-N 3.12Å; P155-Q158 VanDerWaalsContact O-N 3.13Å; P155-S159 PolarHBondContact O-N 3.11Å; P155-S159 PolarHBondContact O-OG 2.87Å; P155-S159 VanDerWaalsContact O-OG 3.09Å
156	T	95.4	Very high	95.4	Very high	36 Å²	36	59 Å²	59	22%	0.221	31%	0.31	C	S	.	.	H	α-helix	trans	-60.6	-45.5	177.6	-55.2	0	0	0	0	111.3	L152 L153 I154 Q158 S159 E160 I163	L152-T156 PolarHBondContact O-OG1 3.27Å; L152-T156 VanDerWaalsContact O-OG1 3.12Å; L153-T156 PolarHBondContact O-N 3.22Å; I154-T156 VanDerWaalsContact C-N 3.32Å; I154-T156 PolarHBondContact O-N 2.95Å; T156-Q158 VanDerWaalsContact C-N 3.29Å; T156-Q158 PolarHBondContact O-N 3.2Å; T156-S159 PolarHBondContact O-N 3.2Å; T156-S159 PolarHBondContact O-OG 3.1Å; T156-E160 HydrophobicContact CG2-CB 4.49Å; T156-E160 HydrophobicContact CG2-CG 4.22Å; T156-E160 WeakPolarHBondContact O-CB 3.4Å; T156-E160 PolarHBondContact O-N 3.24Å; T156-I163 HydrophobicContact CG2-CG2 3.9Å
157	L	96.4	Very high	95.5	Very high	12 Å²	12	58.4 Å²	58.4	6%	0.063	31%	0.309	C	S	.	.	H	α-helix	trans	-59.3	-40.5	174.1	175.5	58.4	0	0	0	111.5	L153 I154 P155 G161 I163 L184 Y186 L192	L153-L157 WeakPolarHBondContact O-CB 3.46Å; L153-L157 PolarHBondContact O-N 3.39Å; I154-L157 PolarHBondContact O-N 3.48Å; P155-L157 PolarHBondContact O-N 3.31Å; L157-G161 WeakPolarHBondContact O-CA 3.45Å; L157-G161 PolarHBondContact O-N 3.4Å; L157-I163 HydrophobicContact CB-CD1 3.98Å; L157-I163 HydrophobicContact CB-CG1 4.09Å; L157-I163 HydrophobicContact CB-CG2 3.87Å; L157-I163 HydrophobicContact CD1-CG1 4.2Å; L157-I163 HydrophobicContact CD2-CD1 4.12Å; L157-I163 HydrophobicContact CD2-CG1 4.38Å; L157-I163 HydrophobicContact CG-CG1 4.45Å; L157-L184 HydrophobicContact CD2-CB 4.39Å; L157-Y186 HydrophobicContact CD1-CD2 4.36Å; L157-Y186 HydrophobicContact CD1-CE2 4.13Å; L157-Y186 HydrophobicContact CG-CE2 4.08Å; L157-Y186 WeakPolarHBondContact O-CE2 3.44Å; L157-L192 HydrophobicContact CD1-CD1 4.17Å; L157-L192 HydrophobicContact CD2-CD1 3.96Å
158	Q	95.4	Very high	95.5	Very high	137 Å²	137	54.3 Å²	54.3	64%	0.64	29%	0.291	S	S	*	.	H	α-helix	trans	-67.8	-35.3	178.1	-70.6	176.2	-15.9	0	0	113.2	I154 P155 T156	I154-Q158 WeakPolarHBondContact O-CG 3.25Å; I154-Q158 PolarHBondContact O-N 2.93Å; P155-Q158 WeakPolarHBondContact O-CB 3.42Å; P155-Q158 PolarHBondContact O-N 3.12Å; P155-Q158 VanDerWaalsContact O-N 3.13Å; T156-Q158 VanDerWaalsContact C-N 3.29Å; T156-Q158 PolarHBondContact O-N 3.2Å
159	S	94.8	Very high	95.5	Very high	92 Å²	92	53.3 Å²	53.3	64%	0.643	28%	0.283	S	S	*	.	H	α-helix	trans	-88.4	-42.3	-177.6	55.1	0	0	0	0	114	P155 T156	P155-S159 PolarHBondContact O-N 3.11Å; P155-S159 PolarHBondContact O-OG 2.87Å; P155-S159 VanDerWaalsContact O-OG 3.09Å; T156-S159 PolarHBondContact O-N 3.2Å; T156-S159 PolarHBondContact O-OG 3.1Å
160	E	94.4	Very high	95.6	Very high	111 Å²	111	50.9 Å²	50.9	52%	0.519	27%	0.273	S	S	.	.	H	α-helix	trans	-99.7	-14.7	-173.5	-58.6	-175.3	-164.7	0	0	112.4	T156 H162	T156-E160 HydrophobicContact CG2-CB 4.49Å; T156-E160 HydrophobicContact CG2-CG 4.22Å; T156-E160 WeakPolarHBondContact O-CB 3.4Å; T156-E160 PolarHBondContact O-N 3.24Å; E160-H162 PolarHBondContact O-N 3.1Å; E160-H162 PolarHBondContact O-ND1 3.2Å
161	G	95	Very high	95.6	Very high	20 Å²	20	55.7 Å²	55.7	21%	0.206	30%	0.296	C	S	.	.	S	Bend	trans	77.4	3.5	174.2	0	0	0	0	0	115.3	L157 H185 Y186	L157-G161 WeakPolarHBondContact O-CA 3.45Å; L157-G161 PolarHBondContact O-N 3.4Å; G161-H185 CarbonylContact O-C 3.51Å; G161-H185 WeakPolarHBondContact O-CA 3.41Å; G161-H185 WeakPolarHBondContact O-CB 3.09Å; G161-Y186 PolarHBondContact O-N 2.91Å
162	H	95.4	Very high	95.3	Very high	65 Å²	65	50.4 Å²	50.4	30%	0.301	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158	147.4	177.5	67.1	-58.8	0	0	0	111.3	L128 E160 L184 H185	L128-H162 WeakPolarHBondContact CD2-NE2 3.41Å; E160-H162 PolarHBondContact O-N 3.1Å; E160-H162 PolarHBondContact O-ND1 3.2Å; H162-L184 CarbonylContact C-O 3.59Å; H162-L184 VanDerWaalsContact CA-O 3.25Å; H162-L184 WeakPolarHBondContact CA-O 3.45Å; H162-H185 HydrophobicContact CB-CB 3.57Å
163	I	97.1	Very high	95.1	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	163.6	175.1	56.7	168.6	0	0	0	109.8	L153 T156 L157 F166 E183 L184	L153-I163 HydrophobicContact CB-CD1 3.87Å; L153-I163 HydrophobicContact CD2-CB 4.41Å; L153-I163 HydrophobicContact CD2-CG2 4.28Å; T156-I163 HydrophobicContact CG2-CG2 3.9Å; L157-I163 HydrophobicContact CB-CD1 3.98Å; L157-I163 HydrophobicContact CB-CG1 4.09Å; L157-I163 HydrophobicContact CB-CG2 3.87Å; L157-I163 HydrophobicContact CD1-CG1 4.2Å; L157-I163 HydrophobicContact CD2-CD1 4.12Å; L157-I163 HydrophobicContact CD2-CG1 4.38Å; L157-I163 HydrophobicContact CG-CG1 4.45Å; I163-F166 HydrophobicContact CD1-CB 3.94Å; I163-F166 HydrophobicContact CD1-CD2 3.34Å; I163-F166 HydrophobicContact CD1-CE2 4.1Å; I163-F166 HydrophobicContact CD1-CG 3.91Å; I163-E183 WeakPolarHBondContact O-CA 3.34Å; I163-L184 HydrophobicContact CD1-CB 4.35Å; I163-L184 HydrophobicContact CD1-CD1 4.23Å; I163-L184 HydrophobicContact CG1-CB 3.87Å; I163-L184 PolarHBondContact N-O 3.31Å; I163-L184 PolarHBondContact O-N 3.35Å
164	R	95.9	Very high	94.8	Very high	27 Å²	27	57 Å²	57	10%	0.102	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	165.6	175.3	-73.1	175.5	179.1	161.5	5.1	112.6	R124 E127 L128 H129 F166 D182 E183	R124-R164 VanDerWaalsContact C-NH1 3.31Å; R124-R164 VanDerWaalsContact CA-NH1 3.33Å; R124-R164 VanDerWaalsContact CB-NH1 3.32Å; R124-R164 WeakPolarHBondContact O-CD 3.26Å; R124-R164 PolarHBondContact O-NH1 3.49Å; E127-R164 IonicContact OE2-CZ 3.77Å; E127-R164 IonicContact OE2-NH1 3.96Å; E127-R164 PolarHBondContact OE2-NH1 3.23Å; E127-R164 IonicContact OE2-NH2 3.71Å; L128-R164 HydrophobicContact CD1-CB 4.29Å; L128-R164 HydrophobicContact CD1-CG 3.71Å; H129-R164 PolarHBondContact CE1-N 3.04Å; H129-R164 PolarHBondContact CE1-O 2.8Å; R164-F166 VanDerWaalsContact C-N 3.27Å; R164-F166 PolarHBondContact O-N 2.98Å; R164-F166 VanDerWaalsContact O-N 3.16Å; R164-D182 CarbonylContact C-O 3.53Å; R164-D182 WeakPolarHBondContact CA-O 3.49Å; R164-D182 VanDerWaalsContact CB-O 3.28Å; R164-D182 WeakPolarHBondContact CB-O 3.34Å; R164-D182 WeakPolarHBondContact CG-O 3.43Å; R164-E183 HydrophobicContact CG-CB 4.31Å; R164-E183 HydrophobicContact CG-CG 4.27Å; R164-E183 IonicContact CZ-OE2 2.76Å; R164-E183 IonicContact NE-OE2 3.61Å; R164-E183 PolarHBondContact NE-OE2 2.88Å; R164-E183 IonicContact NH2-OE2 3.3Å
165	E	94.8	Very high	94.7	Very high	42 Å²	42	55.4 Å²	55.4	20%	0.196	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	49.8	45.5	173.4	-57.7	-60.1	149.4	0	0	113.3	H121 E125 P167 V180 I181 D182	H121-E165 IonicContact ND1-OE1 2.64Å; E125-E165 HydrophobicContact CB-CG 3.93Å; E125-E165 HydrophobicContact CG-CB 4.28Å; E125-E165 HydrophobicContact CG-CG 3.78Å; E165-P167 VanDerWaalsContact O-CD 3.3Å; E165-P167 WeakPolarHBondContact O-CD 3.47Å; E165-V180 HydrophobicContact CB-CG1 4.05Å; E165-V180 VanDerWaalsContact OE2-CG1 3.29Å; E165-V180 WeakPolarHBondContact OE2-CG1 3.43Å; E165-I181 CarbonylContact C-O 3.57Å; E165-I181 WeakPolarHBondContact CA-O 3.44Å; E165-I181 PolarHBondContact N-O 3.17Å; E165-D182 PolarHBondContact N-O 2.91Å
166	F	95.6	Very high	94.6	Very high	15 Å²	15	55.1 Å²	55.1	7%	0.066	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	117.9	-176.2	-176.4	-96.6	0	0	0	110.9	I150 L153 I154 I163 R164 V168 I181 L184 F225	I150-F166 HydrophobicContact CG1-CE2 4.37Å; I150-F166 HydrophobicContact CG1-CZ 4.21Å; I150-F166 HydrophobicContact CG2-CE2 4.35Å; I150-F166 HydrophobicContact CG2-CZ 4.06Å; L153-F166 HydrophobicContact CB-CD2 3.84Å; L153-F166 HydrophobicContact CB-CE2 4.08Å; L153-F166 HydrophobicContact CD1-CD2 3.84Å; I154-F166 HydrophobicContact CG1-CE2 4.1Å; I154-F166 HydrophobicContact CG1-CZ 4.26Å; I163-F166 HydrophobicContact CD1-CB 3.94Å; I163-F166 HydrophobicContact CD1-CD2 3.34Å; I163-F166 HydrophobicContact CD1-CE2 4.1Å; I163-F166 HydrophobicContact CD1-CG 3.91Å; R164-F166 VanDerWaalsContact C-N 3.27Å; R164-F166 PolarHBondContact O-N 2.98Å; R164-F166 VanDerWaalsContact O-N 3.16Å; F166-V168 PolarHBondContact O-N 3.5Å; F166-I181 HydrophobicContact CB-CB 4.37Å; F166-I181 HydrophobicContact CD1-CD1 4.37Å; F166-I181 PolarHBondContact N-O 2.71Å; F166-I181 PolarHBondContact O-N 3.41Å; F166-L184 HydrophobicContact CB-CD1 3.73Å; F166-L184 HydrophobicContact CB-CG 4.47Å; F166-L184 HydrophobicContact CD1-CD1 3.59Å; F166-L184 HydrophobicContact CD2-CD1 4.32Å; F166-L184 HydrophobicContact CE1-CD1 4.26Å; F166-L184 HydrophobicContact CG-CD1 3.61Å; F166-F225 AromaticContact CD1-CE2 3.97Å; F166-F225 HydrophobicContact CD1-CE2 3.97Å; F166-F225 HydrophobicContact CE1-CD2 4.29Å; F166-F225 AromaticContact CE1-CE2 3.62Å; F166-F225 HydrophobicContact CE1-CE2 3.62Å; F166-F225 HydrophobicContact CZ-CE2 4.45Å
167	P	96	Very high	94.7	Very high	12 Å²	12	53.9 Å²	53.9	8%	0.078	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	134.4	178.5	-16.2	30.6	0	0	0	111	K146 N149 I150 E165	K146-P167 HydrophobicContact CB-CB 4.49Å; N149-P167 HydrophobicContact CB-CG 4.04Å; I150-P167 HydrophobicContact CD1-CB 4.26Å; I150-P167 WeakPolarHBondContact CD1-O 3.45Å; I150-P167 HydrophobicContact CG1-CB 4.13Å; I150-P167 HydrophobicContact CG1-CG 4.32Å; I150-P167 WeakPolarHBondContact CG1-O 2.92Å; E165-P167 VanDerWaalsContact O-CD 3.3Å; E165-P167 WeakPolarHBondContact O-CD 3.47Å
168	V	95.6	Very high	94.6	Very high	9 Å²	9	53.6 Å²	53.6	6%	0.055	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144.3	177.6	65.1	0	0	0	0	110.8	F166 V178 G179 I181 Y221 I224 F225	F166-V168 PolarHBondContact O-N 3.5Å; V168-V178 WeakPolarHBondContact O-CA 3.3Å; V168-G179 WeakPolarHBondContact CG1-O 3.31Å; V168-G179 PolarHBondContact N-O 3.35Å; V168-G179 PolarHBondContact O-N 3.11Å; V168-G179 VanDerWaalsContact O-O 3.05Å; V168-I181 HydrophobicContact CB-CD1 3.93Å; V168-I181 HydrophobicContact CB-CG1 4.36Å; V168-I181 HydrophobicContact CG1-CD1 3.81Å; V168-I181 HydrophobicContact CG1-CG1 3.77Å; V168-I181 HydrophobicContact CG2-CD1 4.32Å; V168-Y221 HydrophobicContact CG1-CD1 3.86Å; V168-Y221 HydrophobicContact CG1-CE1 4.3Å; V168-I224 HydrophobicContact CB-CD1 4.34Å; V168-I224 HydrophobicContact CG1-CD1 3.64Å; V168-I224 HydrophobicContact CG1-CG1 4.24Å; V168-I224 HydrophobicContact CG2-CD1 3.89Å; V168-I224 HydrophobicContact CG2-CG1 3.73Å; V168-F225 HydrophobicContact CG2-CB 4.32Å; V168-F225 HydrophobicContact CG2-CD2 4.11Å
169	F	95.7	Very high	94.6	Very high	74 Å²	74	47.1 Å²	47.1	33%	0.325	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	147.9	172	56.9	-92.1	0	0	0	109.9	W143 F147 I150 L176 L177 V178	W143-F169 HydrophobicContact CH2-CB 4.45Å; W143-F169 HydrophobicContact CH2-CG 4.49Å; W143-F169 AromaticContact CZ3-CD1 3.97Å; W143-F169 HydrophobicContact CZ3-CD1 3.97Å; W143-F169 HydrophobicContact CZ3-CE1 4.43Å; W143-F169 HydrophobicContact CZ3-CG 4.11Å; F147-F169 HydrophobicContact CD1-CE1 4.21Å; F147-F169 HydrophobicContact CD1-CZ 4.14Å; F147-F169 AromaticContact CE1-CE1 3.79Å; F147-F169 HydrophobicContact CE1-CE1 3.79Å; F147-F169 HydrophobicContact CE1-CE2 4.31Å; F147-F169 AromaticContact CE1-CZ 3.44Å; F147-F169 HydrophobicContact CE1-CZ 3.44Å; F147-F169 VanDerWaalsContact CE1-CZ 3.44Å; F147-F169 HydrophobicContact CZ-CZ 4.31Å; I150-F169 HydrophobicContact CD1-CD1 4.23Å; I150-F169 HydrophobicContact CD1-CE1 3.52Å; I150-F169 HydrophobicContact CD1-CZ 4.41Å; F169-L176 HydrophobicContact CB-CD1 4.32Å; F169-L176 HydrophobicContact CD2-CD1 4.48Å; F169-L177 CarbonylContact C-O 3.55Å; F169-L177 WeakPolarHBondContact CA-O 3.39Å; F169-L177 WeakPolarHBondContact CB-O 3.4Å; F169-V178 HydrophobicContact CB-CG2 4.11Å
170	G	95.4	Very high	94.7	Very high	15 Å²	15	44.4 Å²	44.4	16%	0.155	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	166.6	-179.4	0	0	0	0	0	110.7	L177	G170-L177 PolarHBondContact N-O 3.27Å; G170-L177 WeakPolarHBondContact O-CB 3.4Å; G170-L177 PolarHBondContact O-N 3.09Å
171	E	94.6	Very high	94.7	Very high	128 Å²	128	39.1 Å²	39.1	60%	0.598	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	136	178	-176.9	-102.8	138.3	0	0	110.2	G174	E171-G174 WeakPolarHBondContact OE1-CA 3.46Å; E171-G174 PolarHBondContact OE1-N 3.03Å
172	G	91.2	Very high	94.7	Very high	9 Å²	9	38.7 Å²	38.7	9%	0.093	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	125.1	172.6	0	0	0	0	0	110.3	G174 V175	G172-G174 PolarHBondContact O-N 3.02Å; G172-V175 PolarHBondContact N-O 3.17Å; G172-V175 PolarHBondContact O-N 3.3Å
173	E	90	Very high	94.8	Very high	191 Å²	191	37.1 Å²	37.1	89%	0.893	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.6	37.1	178.6	-59.5	-72.2	174.8	0	0	113.5	V175	E173-V175 VanDerWaalsContact C-N 3.33Å
174	G	90.9	Very high	94.8	Very high	65 Å²	65	37.2 Å²	37.2	67%	0.67	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	80	7.6	-179.1	0	0	0	0	0	114.9	E171 G172	E171-G174 WeakPolarHBondContact OE1-CA 3.46Å; E171-G174 PolarHBondContact OE1-N 3.03Å; G172-G174 PolarHBondContact O-N 3.02Å
175	V	92.8	Very high	94.8	Very high	37 Å²	37	38 Å²	38	22%	0.224	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	136.9	-179.1	-175.1	0	0	0	0	110.4	M73 L81 G172 E173 L177	M73-V175 HydrophobicContact CE-CG1 3.87Å; M73-V175 HydrophobicContact SD-CG1 4.26Å; L81-V175 HydrophobicContact CD1-CG1 3.79Å; L81-V175 HydrophobicContact CG-CG1 3.89Å; G172-V175 PolarHBondContact N-O 3.17Å; G172-V175 PolarHBondContact O-N 3.3Å; E173-V175 VanDerWaalsContact C-N 3.33Å; V175-L177 PolarHBondContact O-N 3.18Å
176	L	94.9	Very high	94.9	Very high	60 Å²	60	40.7 Å²	40.7	31%	0.314	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	125.2	173.7	-177.5	66.8	0	0	0	109.7	Y80 L81 W143 F169 V178	Y80-L176 CarbonylContact C-O 3.5Å; Y80-L176 WeakPolarHBondContact CA-O 3.43Å; Y80-L176 WeakPolarHBondContact CB-O 3.31Å; L81-L176 PolarHBondContact N-O 3.4Å; W143-L176 HydrophobicContact CH2-CD2 3.87Å; W143-L176 HydrophobicContact CZ2-CD2 4.06Å; F169-L176 HydrophobicContact CB-CD1 4.32Å; F169-L176 HydrophobicContact CD2-CD1 4.48Å; L176-V178 HydrophobicContact CD2-CG2 4.41Å; L176-V178 HydrophobicContact CG-CG2 4.19Å
177	L	95.8	Very high	94.9	Very high	10 Å²	10	41.3 Å²	41.3	5%	0.052	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	139.9	172.7	-57.5	-173	0	0	0	109.1	L81 L86 F169 G170 V175 I224	L81-L177 HydrophobicContact CB-CD2 3.8Å; L81-L177 HydrophobicContact CD1-CD2 4.37Å; L81-L177 CarbonylContact O-C 3.49Å; L81-L177 WeakPolarHBondContact O-CA 3.4Å; L86-L177 HydrophobicContact CD1-CD1 4.47Å; L86-L177 HydrophobicContact CD1-CD2 3.66Å; F169-L177 CarbonylContact C-O 3.55Å; F169-L177 WeakPolarHBondContact CA-O 3.39Å; F169-L177 WeakPolarHBondContact CB-O 3.4Å; G170-L177 PolarHBondContact N-O 3.27Å; G170-L177 WeakPolarHBondContact O-CB 3.4Å; G170-L177 PolarHBondContact O-N 3.09Å; V175-L177 PolarHBondContact O-N 3.18Å; L177-I224 HydrophobicContact CB-CG2 3.93Å; L177-I224 HydrophobicContact CD1-CG2 3.68Å; L177-I224 HydrophobicContact CG-CG2 4.35Å
178	V	96	Very high	94.8	Very high	6 Å²	6	46.3 Å²	46.3	4%	0.036	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	145.7	-179.6	-177.1	0	0	0	0	109.2	Y80 L81 Y82 V83 W143 V168 F169 L176	Y80-V178 HydrophobicContact CD2-CB 3.94Å; Y80-V178 HydrophobicContact CD2-CG2 3.5Å; Y80-V178 HydrophobicContact CE2-CB 4.36Å; Y80-V178 HydrophobicContact CE2-CG2 4.1Å; Y80-V178 HydrophobicContact CG-CG2 3.92Å; L81-V178 PolarHBondContact O-N 3.36Å; Y82-V178 VanDerWaalsContact CA-O 3.3Å; Y82-V178 WeakPolarHBondContact CA-O 3.19Å; Y82-V178 HydrophobicContact CD1-CB 4.43Å; Y82-V178 HydrophobicContact CE1-CB 4.47Å; Y82-V178 HydrophobicContact CE1-CG1 4.44Å; V83-V178 PolarHBondContact N-O 3.36Å; W143-V178 HydrophobicContact CH2-CG2 3.89Å; W143-V178 HydrophobicContact CZ2-CG2 4.29Å; V168-V178 WeakPolarHBondContact O-CA 3.3Å; F169-V178 HydrophobicContact CB-CG2 4.11Å; L176-V178 HydrophobicContact CD2-CG2 4.41Å; L176-V178 HydrophobicContact CG-CG2 4.19Å
179	G	95.1	Very high	94.8	Very high	2 Å²	2	54.2 Å²	54.2	2%	0.021	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	-175.4	166.8	0	0	0	0	0	111.8	V168	V168-G179 WeakPolarHBondContact CG1-O 3.31Å; V168-G179 PolarHBondContact N-O 3.35Å; V168-G179 PolarHBondContact O-N 3.11Å; V168-G179 VanDerWaalsContact O-O 3.05Å
180	V	95.5	Very high	94.7	Very high	35 Å²	35	53.2 Å²	53.2	21%	0.212	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	133.2	176.2	-174.5	0	0	0	0	108.8	D22 E165 Y221	D22-V180 WeakPolarHBondContact OD1-CB 3.23Å; D22-V180 WeakPolarHBondContact OD1-CG2 3.33Å; D22-V180 PolarHBondContact OD1-N 3.23Å; D22-V180 VanDerWaalsContact OD1-N 3.1Å; E165-V180 HydrophobicContact CB-CG1 4.05Å; E165-V180 VanDerWaalsContact OE2-CG1 3.29Å; E165-V180 WeakPolarHBondContact OE2-CG1 3.43Å; V180-Y221 WeakPolarHBondContact O-CE1 3.44Å; V180-Y221 PolarHBondContact O-OH 3.29Å; V180-Y221 VanDerWaalsContact O-OH 3.13Å
181	I	96.1	Very high	94.6	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	119.5	177.5	-64	168.2	0	0	0	108.1	E165 F166 V168 E183 L184 L194 Y221 F225	E165-I181 CarbonylContact C-O 3.57Å; E165-I181 WeakPolarHBondContact CA-O 3.44Å; E165-I181 PolarHBondContact N-O 3.17Å; F166-I181 HydrophobicContact CB-CB 4.37Å; F166-I181 HydrophobicContact CD1-CD1 4.37Å; F166-I181 PolarHBondContact N-O 2.71Å; F166-I181 PolarHBondContact O-N 3.41Å; V168-I181 HydrophobicContact CB-CD1 3.93Å; V168-I181 HydrophobicContact CB-CG1 4.36Å; V168-I181 HydrophobicContact CG1-CD1 3.81Å; V168-I181 HydrophobicContact CG1-CG1 3.77Å; V168-I181 HydrophobicContact CG2-CD1 4.32Å; I181-E183 VanDerWaalsContact C-N 3.33Å; I181-E183 PolarHBondContact O-N 3.38Å; I181-L184 HydrophobicContact CD1-CD1 4.37Å; I181-L184 HydrophobicContact CD1-CD2 4.4Å; I181-L184 HydrophobicContact CG2-CD1 4.5Å; I181-L184 HydrophobicContact CG2-CD2 3.93Å; I181-L184 HydrophobicContact CG2-CG 3.8Å; I181-L194 HydrophobicContact CB-CD1 4.2Å; I181-L194 HydrophobicContact CD1-CD1 3.52Å; I181-L194 HydrophobicContact CG1-CD1 3.7Å; I181-L194 HydrophobicContact CG2-CD1 3.46Å; I181-L194 VanDerWaalsContact CG2-CD1 3.46Å; I181-L194 HydrophobicContact CG2-CD2 4.16Å; I181-L194 HydrophobicContact CG2-CG 3.43Å; I181-L194 VanDerWaalsContact CG2-CG 3.43Å; I181-Y221 HydrophobicContact CG1-CD1 3.87Å; I181-Y221 HydrophobicContact CG1-CE1 4.42Å; I181-Y221 HydrophobicContact CG1-CG 3.98Å; I181-F225 HydrophobicContact CD1-CD2 3.62Å; I181-F225 HydrophobicContact CD1-CE2 4.19Å; I181-F225 HydrophobicContact CD1-CG 4.42Å
182	D	95.3	Very high	94.6	Very high	11 Å²	11	54.6 Å²	54.6	6%	0.059	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.4	-45.1	-177	-68.8	-21.3	0	0	0	112.9	H121 R164 E165 E196 L197	H121-D182 IonicContact CE1-OD1 2.71Å; H121-D182 PolarHBondContact CE1-OD1 3.37Å; H121-D182 IonicContact CE1-OD2 3.58Å; H121-D182 PolarHBondContact CE1-OD2 3.3Å; H121-D182 VanDerWaalsContact CE1-OD2 3.3Å; H121-D182 IonicContact ND1-OD1 3.3Å; H121-D182 PolarHBondContact ND1-OD1 3.45Å; H121-D182 IonicContact ND1-OD2 3.68Å; R164-D182 CarbonylContact C-O 3.53Å; R164-D182 WeakPolarHBondContact CA-O 3.49Å; R164-D182 VanDerWaalsContact CB-O 3.28Å; R164-D182 WeakPolarHBondContact CB-O 3.34Å; R164-D182 WeakPolarHBondContact CG-O 3.43Å; E165-D182 PolarHBondContact N-O 2.91Å; D182-E196 VanDerWaalsContact OD2-CD 3.24Å; D182-L197 PolarHBondContact OD2-N 2.85Å
183	E	96	Very high	94.9	Very high	32 Å²	32	58.8 Å²	58.8	15%	0.15	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	134.2	-178.4	-172.1	175.5	122.9	0	0	112.4	R124 I163 R164 I181 H185 A195	R124-E183 IonicContact CZ-OE2 2.59Å; R124-E183 IonicContact NH2-OE2 3.96Å; R124-E183 PolarHBondContact NH2-OE2 3.34Å; I163-E183 WeakPolarHBondContact O-CA 3.34Å; R164-E183 HydrophobicContact CG-CB 4.31Å; R164-E183 HydrophobicContact CG-CG 4.27Å; R164-E183 IonicContact CZ-OE2 2.76Å; R164-E183 IonicContact NE-OE2 3.61Å; R164-E183 PolarHBondContact NE-OE2 2.88Å; R164-E183 IonicContact NH2-OE2 3.3Å; I181-E183 VanDerWaalsContact C-N 3.33Å; I181-E183 PolarHBondContact O-N 3.38Å; E183-H185 IonicContact OE1-CE1 2.73Å; E183-H185 IonicContact OE1-ND1 3.96Å; E183-H185 PolarHBondContact OE1-ND1 2.64Å; E183-A195 HydrophobicContact CB-CB 4.23Å; E183-A195 PolarHBondContact N-O 2.94Å; E183-A195 VanDerWaalsContact N-O 3.16Å; E183-A195 PolarHBondContact O-N 3.11Å
184	L	96.8	Very high	95.2	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	131.2	169.5	-70.9	172	0	0	0	108.9	L157 H162 I163 F166 I181 L192 E193 L194 F225	L157-L184 HydrophobicContact CD2-CB 4.39Å; H162-L184 CarbonylContact C-O 3.59Å; H162-L184 VanDerWaalsContact CA-O 3.25Å; H162-L184 WeakPolarHBondContact CA-O 3.45Å; I163-L184 HydrophobicContact CD1-CB 4.35Å; I163-L184 HydrophobicContact CD1-CD1 4.23Å; I163-L184 HydrophobicContact CG1-CB 3.87Å; I163-L184 PolarHBondContact N-O 3.31Å; I163-L184 PolarHBondContact O-N 3.35Å; F166-L184 HydrophobicContact CB-CD1 3.73Å; F166-L184 HydrophobicContact CB-CG 4.47Å; F166-L184 HydrophobicContact CD1-CD1 3.59Å; F166-L184 HydrophobicContact CD2-CD1 4.32Å; F166-L184 HydrophobicContact CE1-CD1 4.26Å; F166-L184 HydrophobicContact CG-CD1 3.61Å; I181-L184 HydrophobicContact CD1-CD1 4.37Å; I181-L184 HydrophobicContact CD1-CD2 4.4Å; I181-L184 HydrophobicContact CG2-CD1 4.5Å; I181-L184 HydrophobicContact CG2-CD2 3.93Å; I181-L184 HydrophobicContact CG2-CG 3.8Å; L184-L192 HydrophobicContact CB-CD1 4.44Å; L184-E193 WeakPolarHBondContact CA-O 3.18Å; L184-L194 HydrophobicContact CD2-CB 3.91Å; L184-L194 HydrophobicContact CD2-CD1 4.19Å; L184-L194 HydrophobicContact CD2-CG 4.12Å; L184-F225 HydrophobicContact CD1-CE2 3.61Å; L184-F225 HydrophobicContact CD1-CZ 3.96Å; L184-F225 HydrophobicContact CD2-CE2 4.41Å; L184-F225 HydrophobicContact CD2-CZ 4.47Å
185	H	96.9	Very high	95.4	Very high	44 Å²	44	50.1 Å²	50.1	20%	0.204	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	158.1	176.5	68.1	-92.3	0	0	0	113	G161 H162 E183 E193	G161-H185 CarbonylContact O-C 3.51Å; G161-H185 WeakPolarHBondContact O-CA 3.41Å; G161-H185 WeakPolarHBondContact O-CB 3.09Å; H162-H185 HydrophobicContact CB-CB 3.57Å; E183-H185 IonicContact OE1-CE1 2.73Å; E183-H185 IonicContact OE1-ND1 3.96Å; E183-H185 PolarHBondContact OE1-ND1 2.64Å; H185-E193 PolarHBondContact N-O 3.27Å; H185-E193 IonicContact NE2-OE2 2.65Å; H185-E193 PolarHBondContact O-N 3.05Å
186	Y	97.3	Very high	95.4	Very high	97 Å²	97	50.3 Å²	50.3	38%	0.38	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	132.3	172.3	-67.1	-63.1	0	0	0	111.3	L157 G161 E191 L192	L157-Y186 HydrophobicContact CD1-CD2 4.36Å; L157-Y186 HydrophobicContact CD1-CE2 4.13Å; L157-Y186 HydrophobicContact CG-CE2 4.08Å; L157-Y186 WeakPolarHBondContact O-CE2 3.44Å; G161-Y186 PolarHBondContact O-N 2.91Å; Y186-E191 CarbonylContact C-O 3.58Å; Y186-E191 WeakPolarHBondContact CA-O 3.36Å; Y186-L192 HydrophobicContact CD1-CB 4.15Å; Y186-L192 HydrophobicContact CD1-CD1 4.05Å; Y186-L192 HydrophobicContact CE1-CB 3.98Å; Y186-L192 HydrophobicContact CE1-CD1 3.85Å; Y186-L192 HydrophobicContact CE1-CG 4.45Å
187	T	95.9	Very high	95.3	Very high	28 Å²	28	50 Å²	50	17%	0.172	28%	0.278	C	S	.	.			trans	-70.9	169.1	170.6	69.2	0	0	0	0	111.3	K189 G190 E191 E193	T187-K189 PolarHBondContact O-N 3.43Å; T187-K189 PolarHBondContact OG1-N 3.49Å; T187-G190 PolarHBondContact O-N 3.02Å; T187-E191 HydrophobicContact CG2-CB 4.43Å; T187-E191 PolarHBondContact N-O 2.92Å; T187-E191 PolarHBondContact OG1-N 3.2Å; T187-E191 PolarHBondContact OG1-O 3.48Å; T187-E193 HydrophobicContact CG2-CB 4.12Å; T187-E193 HydrophobicContact CG2-CG 3.44Å; T187-E193 VanDerWaalsContact CG2-CG 3.44Å; T187-E193 WeakPolarHBondContact CG2-OE1 3.46Å; T187-E193 WeakPolarHBondContact CG2-OE2 3.34Å
188	A	93.6	Very high	95.1	Very high	118 Å²	118	53.1 Å²	53.1	98%	0.975	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-16.3	171.9	0	0	0	0	0	114
189	K	95.4	Very high	94.7	Very high	174 Å²	174	55.5 Å²	55.5	76%	0.757	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-5	175.4	-61	178.4	-174.3	168.7	0	113.3	T187 E191	T187-K189 PolarHBondContact O-N 3.43Å; T187-K189 PolarHBondContact OG1-N 3.49Å; K189-E191 VanDerWaalsContact C-N 3.34Å; K189-E191 HydrophobicContact CB-CG 4.23Å
190	G	92.6	Very high	94.2	Very high	53 Å²	53	60 Å²	60	55%	0.546	32%	0.322	S	S	.	.	S	Bend	trans	79.5	13.7	-173.4	0	0	0	0	0	114.1	T187	T187-G190 PolarHBondContact O-N 3.02Å
191	E	94.3	Very high	93.7	Very high	104 Å²	104	67.4 Å²	67.4	49%	0.486	35%	0.346	S	S	.	.			trans	-81.3	137.3	173.7	-62.4	170.1	157.1	0	0	108.7	Y186 T187 K189	Y186-E191 CarbonylContact C-O 3.58Å; Y186-E191 WeakPolarHBondContact CA-O 3.36Å; T187-E191 HydrophobicContact CG2-CB 4.43Å; T187-E191 PolarHBondContact N-O 2.92Å; T187-E191 PolarHBondContact OG1-N 3.2Å; T187-E191 PolarHBondContact OG1-O 3.48Å; K189-E191 VanDerWaalsContact C-N 3.34Å; K189-E191 HydrophobicContact CB-CG 4.23Å
192	L	95.3	Very high	93.2	Very high	68 Å²	68	75.6 Å²	75.6	36%	0.356	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	120.4	175.3	-174.4	66.3	0	0	0	109.3	L157 L184 Y186 F225	L157-L192 HydrophobicContact CD1-CD1 4.17Å; L157-L192 HydrophobicContact CD2-CD1 3.96Å; L184-L192 HydrophobicContact CB-CD1 4.44Å; Y186-L192 HydrophobicContact CD1-CB 4.15Å; Y186-L192 HydrophobicContact CD1-CD1 4.05Å; Y186-L192 HydrophobicContact CE1-CB 3.98Å; Y186-L192 HydrophobicContact CE1-CD1 3.85Å; Y186-L192 HydrophobicContact CE1-CG 4.45Å; L192-F225 HydrophobicContact CD2-CE1 3.53Å; L192-F225 HydrophobicContact CD2-CZ 3.74Å
193	E	96.4	Very high	92.8	Very high	97 Å²	97	81.7 Å²	81.7	45%	0.453	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.2	176.1	-82	-175.7	-179	0	0	110.8	L184 H185 T187	L184-E193 WeakPolarHBondContact CA-O 3.18Å; H185-E193 PolarHBondContact N-O 3.27Å; H185-E193 IonicContact NE2-OE2 2.65Å; H185-E193 PolarHBondContact O-N 3.05Å; T187-E193 HydrophobicContact CG2-CB 4.12Å; T187-E193 HydrophobicContact CG2-CG 3.44Å; T187-E193 VanDerWaalsContact CG2-CG 3.44Å; T187-E193 WeakPolarHBondContact CG2-OE1 3.46Å; T187-E193 WeakPolarHBondContact CG2-OE2 3.34Å
194	L	96.4	Very high	92.5	Very high	42 Å²	42	85.7 Å²	85.7	22%	0.22	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.7	172.1	-177.7	154.5	0	0	0	108.6	I181 L184 V218 Y221	I181-L194 HydrophobicContact CB-CD1 4.2Å; I181-L194 HydrophobicContact CD1-CD1 3.52Å; I181-L194 HydrophobicContact CG1-CD1 3.7Å; I181-L194 HydrophobicContact CG2-CD1 3.46Å; I181-L194 VanDerWaalsContact CG2-CD1 3.46Å; I181-L194 HydrophobicContact CG2-CD2 4.16Å; I181-L194 HydrophobicContact CG2-CG 3.43Å; I181-L194 VanDerWaalsContact CG2-CG 3.43Å; L184-L194 HydrophobicContact CD2-CB 3.91Å; L184-L194 HydrophobicContact CD2-CD1 4.19Å; L184-L194 HydrophobicContact CD2-CG 4.12Å; L194-V218 HydrophobicContact CD2-CG1 4.15Å; L194-V218 HydrophobicContact CD2-CG2 4.44Å; L194-Y221 HydrophobicContact CD1-CG 4.4Å; L194-Y221 HydrophobicContact CD2-CD2 4.47Å
195	A	94.9	Very high	92.2	Very high	33 Å²	33	92.7 Å²	92.7	27%	0.273	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	133.8	176.4	0	0	0	0	0	110.8	E183	E183-A195 HydrophobicContact CB-CB 4.23Å; E183-A195 PolarHBondContact N-O 2.94Å; E183-A195 VanDerWaalsContact N-O 3.16Å; E183-A195 PolarHBondContact O-N 3.11Å
196	E	93.7	Very high	91.9	Very high	40 Å²	40	92.2 Å²	92.2	19%	0.187	48%	0.475	C	S	.	.			trans	-108.9	125	175	-179.8	76.2	-175.6	0	0	108.9	D182 K198 Q217 V218 Y221	D182-E196 VanDerWaalsContact OD2-CD 3.24Å; E196-K198 HydrophobicContact CG-CD 4.37Å; E196-K198 HydrophobicContact CG-CG 4.47Å; E196-K198 VanDerWaalsContact OE1-CE 3.25Å; E196-K198 WeakPolarHBondContact OE1-CE 3.01Å; E196-K198 IonicContact OE1-NZ 3.34Å; E196-K198 PolarHBondContact OE1-NZ 3.09Å; E196-Q217 PolarHBondContact OE1-NE2 3.31Å; E196-V218 HydrophobicContact CB-CG2 3.69Å; E196-V218 HydrophobicContact CG-CG2 4.37Å; E196-Y221 WeakPolarHBondContact OE2-CE2 3.4Å
197	L	92.8	Very high	91.6	Very high	54 Å²	54	93.4 Å²	93.4	28%	0.283	49%	0.487	S	S	.	.			trans	-93.8	127.7	174.6	177.8	66	0	0	0	110.1	I120 H121 D182	I120-L197 HydrophobicContact CG2-CD2 4.33Å; H121-L197 PolarHBondContact CE1-O 3.08Å; H121-L197 PolarHBondContact NE2-O 3.06Å; D182-L197 PolarHBondContact OD2-N 2.85Å
198	K	90.3	Very high	91.5	Very high	76 Å²	76	98.4 Å²	98.4	33%	0.33	51%	0.508	S	S	.	.			trans	-117.6	124	168.5	-63	-58.2	-174.3	-161.5	0	111.1	E196 Q217	E196-K198 HydrophobicContact CG-CD 4.37Å; E196-K198 HydrophobicContact CG-CG 4.47Å; E196-K198 VanDerWaalsContact OE1-CE 3.25Å; E196-K198 WeakPolarHBondContact OE1-CE 3.01Å; E196-K198 IonicContact OE1-NZ 3.34Å; E196-K198 PolarHBondContact OE1-NZ 3.09Å; K198-Q217 VanDerWaalsContact CE-OE1 3.29Å
199	T	88.8	Confident	91.3	Very high	56 Å²	56	94.8 Å²	94.8	34%	0.344	48%	0.479	S	S	.	.			trans	-86	148.6	175.8	61.5	0	0	0	0	111.2	G117 I120	G117-T199 WeakPolarHBondContact CA-OG1 3.5Å; I120-T199 HydrophobicContact CB-CG2 4.09Å; I120-T199 HydrophobicContact CD1-CG2 3.84Å; I120-T199 HydrophobicContact CG2-CG2 3.93Å
200	R	84.1	Confident	91.1	Very high	95 Å²	95	89.6 Å²	89.6	36%	0.358	46%	0.457	S	S	.	.			trans	-144.1	137.2	-177.2	-65.7	178.5	176.8	-95.6	-14.6	110.9	R202 P206 D214	R200-R202 VanDerWaalsContact C-N 3.29Å; R200-R202 PolarHBondContact O-N 2.78Å; R200-P206 VanDerWaalsContact NH1-CA 3.31Å; R200-P206 VanDerWaalsContact NH2-CG 3.34Å; R200-D214 IonicContact NH2-OD2 3.03Å
201	R	84.1	Confident	91.1	Very high	191 Å²	191	90.9 Å²	90.9	72%	0.721	45%	0.448	S	S	*	.	S	Bend	trans	-64.9	-30.8	176.2	-175.3	176.6	177	-175.9	3.6	113.6	E109	E109-R201 IonicContact OE1-NH1 2.76Å; E109-R201 PolarHBondContact OE1-NH1 3.31Å
202	R	85.7	Confident	91.1	Very high	172 Å²	172	92.9 Å²	92.9	65%	0.649	46%	0.455	S	S	*	.	S	Bend	trans	-114.1	140.1	-178.9	-63.9	-176.5	-176.8	179.2	3.2	109.4	R200 M204	R200-R202 VanDerWaalsContact C-N 3.29Å; R200-R202 PolarHBondContact O-N 2.78Å; R202-M204 HydrophobicContact CB-CE 3.94Å; R202-M204 HydrophobicContact CB-CG 4.35Å; R202-M204 HydrophobicContact CG-CE 4.42Å; R202-M204 PolarHBondContact O-N 3.13Å
203	P	87.7	Confident	91	Very high	140 Å²	140	91.6 Å²	91.6	91%	0.909	45%	0.446	S	S	*	.	S	Bend	trans	-78	58	178	35.2	-37	0	0	0	110.4
204	M	89.4	Confident	90.9	Very high	116 Å²	116	88.2 Å²	88.2	57%	0.571	43%	0.431	S	S	*	.			trans	-124.7	146.3	178.9	-63.4	-172.8	-51	0	0	109.1	R202	R202-M204 HydrophobicContact CB-CE 3.94Å; R202-M204 HydrophobicContact CB-CG 4.35Å; R202-M204 HydrophobicContact CG-CE 4.42Å; R202-M204 PolarHBondContact O-N 3.13Å
205	L	90.4	Very high	90.8	Very high	149 Å²	149	89.9 Å²	89.9	78%	0.78	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-61.7	152	176.8	-69.5	177.2	0	0	0	111.5
206	P	90.4	Very high	90.9	Very high	33 Å²	33	91.6 Å²	91.6	21%	0.214	45%	0.447	C	S	.	.	P	Polyproline II helix	trans	-55.4	146.7	172.8	-17.6	25.8	0	0	0	113.1	R200 Q210 K211	R200-P206 VanDerWaalsContact NH1-CA 3.31Å; R200-P206 VanDerWaalsContact NH2-CG 3.34Å; P206-Q210 HydrophobicContact CB-CB 4.22Å; P206-K211 HydrophobicContact CB-CD 4.49Å; P206-K211 HydrophobicContact CB-CG 3.61Å; P206-K211 HydrophobicContact CG-CG 4.15Å; P206-K211 WeakPolarHBondContact O-CE 3.45Å
207	L	91.6	Very high	91	Very high	122 Å²	122	89.8 Å²	89.8	64%	0.639	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-65.3	148.6	161	-66	169.2	0	0	0	109.2	A209 Q210 K211	L207-A209 PolarHBondContact O-N 3.18Å; L207-Q210 HydrophobicContact CB-CG 4.42Å; L207-Q210 WeakPolarHBondContact O-CA 3.32Å; L207-Q210 WeakPolarHBondContact O-CB 3.44Å; L207-Q210 PolarHBondContact O-N 3.25Å; L207-K211 PolarHBondContact O-N 3.5Å
208	E	93.8	Very high	91.2	Very high	133 Å²	133	89.6 Å²	89.6	62%	0.621	44%	0.439	S	S	*	.	H	α-helix	trans	-51.5	-37.6	179.2	-67	-51.1	117.8	0	0	113.1	Q210 K211 K212	E208-Q210 PolarHBondContact O-N 2.92Å; E208-K211 WeakPolarHBondContact O-CB 3.45Å; E208-K211 PolarHBondContact O-N 3.38Å; E208-K211 WeakPolarHBondContact OE1-CE 3.37Å; E208-K211 IonicContact OE1-NZ 3.72Å; E208-K211 PolarHBondContact OE1-NZ 3.39Å; E208-K212 PolarHBondContact O-N 3.38Å
209	A	90.3	Very high	91.5	Very high	43 Å²	43	89 Å²	89	36%	0.355	45%	0.445	S	S	.	.	H	α-helix	trans	-64.7	-42.1	-180	0	0	0	0	0	110.2	W91 L207 K212 K213	W91-A209 HydrophobicContact CE3-CB 4.49Å; W91-A209 HydrophobicContact CH2-CB 3.19Å; W91-A209 VanDerWaalsContact CZ3-CA 3.41Å; W91-A209 HydrophobicContact CZ3-CB 3.17Å; W91-A209 WeakPolarHBondContact CZ3-O 3.31Å; L207-A209 PolarHBondContact O-N 3.18Å; A209-K212 PolarHBondContact O-N 3.18Å; A209-K213 PolarHBondContact O-N 2.9Å
210	Q	90.2	Very high	91.9	Very high	65 Å²	65	87.3 Å²	87.3	30%	0.304	43%	0.434	S	S	.	.	H	α-helix	trans	-66.9	-41.2	172.5	-65.1	174.4	-41.3	0	0	111.7	P206 L207 E208 K212 K213 D214	P206-Q210 HydrophobicContact CB-CB 4.22Å; L207-Q210 HydrophobicContact CB-CG 4.42Å; L207-Q210 WeakPolarHBondContact O-CA 3.32Å; L207-Q210 WeakPolarHBondContact O-CB 3.44Å; L207-Q210 PolarHBondContact O-N 3.25Å; E208-Q210 PolarHBondContact O-N 2.92Å; Q210-K212 PolarHBondContact O-N 3.38Å; Q210-K213 WeakPolarHBondContact O-CB 3.44Å; Q210-K213 PolarHBondContact O-N 2.8Å; Q210-K213 VanDerWaalsContact O-N 3.1Å; Q210-D214 VanDerWaalsContact O-CG 3.27Å; Q210-D214 PolarHBondContact O-N 3.07Å
211	K	92.7	Very high	92.5	Very high	80 Å²	80	82.9 Å²	82.9	35%	0.348	42%	0.417	S	S	.	.	H	α-helix	trans	-57.7	-40.1	175.1	-59.7	-177.5	-175	163.3	0	111.6	P206 L207 E208 K213 D214 C215	P206-K211 HydrophobicContact CB-CD 4.49Å; P206-K211 HydrophobicContact CB-CG 3.61Å; P206-K211 HydrophobicContact CG-CG 4.15Å; P206-K211 WeakPolarHBondContact O-CE 3.45Å; L207-K211 PolarHBondContact O-N 3.5Å; E208-K211 WeakPolarHBondContact O-CB 3.45Å; E208-K211 PolarHBondContact O-N 3.38Å; E208-K211 WeakPolarHBondContact OE1-CE 3.37Å; E208-K211 IonicContact OE1-NZ 3.72Å; E208-K211 PolarHBondContact OE1-NZ 3.39Å; K211-K213 VanDerWaalsContact C-N 3.35Å; K211-D214 PolarHBondContact O-N 3.39Å; K211-C215 WeakPolarHBondContact O-CB 3.36Å; K211-C215 PolarHBondContact O-N 2.65Å
212	K	94.3	Very high	93.1	Very high	146 Å²	146	79.1 Å²	79.1	64%	0.635	41%	0.406	S	S	*	.	H	α-helix	trans	-63.3	-41.4	177.1	-170.9	-178.4	178.9	-170.8	0	111.6	E208 A209 Q210 F216	E208-K212 PolarHBondContact O-N 3.38Å; A209-K212 PolarHBondContact O-N 3.18Å; Q210-K212 PolarHBondContact O-N 3.38Å; K212-F216 WeakPolarHBondContact O-CB 3.45Å; K212-F216 PolarHBondContact O-N 3.36Å
213	K	93.8	Very high	93.6	Very high	41 Å²	41	77 Å²	77	18%	0.178	40%	0.399	C	S	.	.	H	α-helix	trans	-61.3	-51.6	173.9	-173.2	-167.2	70	66.7	0	111.3	A87 W91 A209 Q210 K211 F216 Q217	A87-K213 HydrophobicContact CB-CG 4.25Å; A87-K213 WeakPolarHBondContact O-CG 3.3Å; W91-K213 HydrophobicContact CB-CB 4.33Å; W91-K213 HydrophobicContact CB-CD 3.78Å; W91-K213 HydrophobicContact CB-CG 3.92Å; W91-K213 HydrophobicContact CE3-CB 4.21Å; W91-K213 HydrophobicContact CG-CD 4.09Å; A209-K213 PolarHBondContact O-N 2.9Å; Q210-K213 WeakPolarHBondContact O-CB 3.44Å; Q210-K213 PolarHBondContact O-N 2.8Å; Q210-K213 VanDerWaalsContact O-N 3.1Å; K211-K213 VanDerWaalsContact C-N 3.35Å; K213-F216 WeakPolarHBondContact O-CB 3.39Å; K213-F216 PolarHBondContact O-N 2.88Å; K213-Q217 PolarHBondContact O-N 2.8Å
214	D	92.9	Very high	93.9	Very high	25 Å²	25	71.1 Å²	71.1	13%	0.134	36%	0.359	C	S	.	.	H	α-helix	trans	-67.2	-38.4	-176.2	-59.7	-25.3	0	0	0	111	R200 Q210 K211 F216 Q217 V218	R200-D214 IonicContact NH2-OD2 3.03Å; Q210-D214 VanDerWaalsContact O-CG 3.27Å; Q210-D214 PolarHBondContact O-N 3.07Å; K211-D214 PolarHBondContact O-N 3.39Å; D214-F216 VanDerWaalsContact C-N 3.33Å; D214-F216 PolarHBondContact O-N 3.21Å; D214-Q217 WeakPolarHBondContact O-CB 3.33Å; D214-Q217 PolarHBondContact O-N 3.37Å; D214-V218 WeakPolarHBondContact O-CG2 3.44Å; D214-V218 PolarHBondContact O-N 3.43Å
215	C	96.1	Very high	94.1	Very high	78 Å²	78	69.1 Å²	69.1	53%	0.527	35%	0.348	S	S	.	.	H	α-helix	trans	-61.4	-40.2	172.5	-178.7	0	0	0	0	112.1	K211 V218 S219	K211-C215 WeakPolarHBondContact O-CB 3.36Å; K211-C215 PolarHBondContact O-N 2.65Å; C215-V218 PolarHBondContact O-N 2.89Å; C215-S219 WeakPolarHBondContact O-CB 3.44Å; C215-S219 PolarHBondContact O-N 3.02Å; C215-S219 PolarHBondContact O-OG 3.12Å
216	F	96.5	Very high	93.9	Very high	68 Å²	68	69.4 Å²	69.4	30%	0.298	35%	0.35	S	S	.	.	H	α-helix	trans	-65.2	-40.5	175.5	-179.3	-100.5	0	0	0	111.9	L86 A87 N90 K212 K213 D214 S219 L220	L86-F216 HydrophobicContact CB-CE1 4.27Å; A87-F216 HydrophobicContact CB-CD1 4.25Å; N90-F216 HydrophobicContact CB-CD1 3.83Å; N90-F216 HydrophobicContact CB-CE1 3.81Å; N90-F216 HydrophobicContact CB-CG 4.31Å; N90-F216 HydrophobicContact CB-CZ 4.34Å; K212-F216 WeakPolarHBondContact O-CB 3.45Å; K212-F216 PolarHBondContact O-N 3.36Å; K213-F216 WeakPolarHBondContact O-CB 3.39Å; K213-F216 PolarHBondContact O-N 2.88Å; D214-F216 VanDerWaalsContact C-N 3.33Å; D214-F216 PolarHBondContact O-N 3.21Å; F216-S219 PolarHBondContact O-N 3.07Å; F216-L220 HydrophobicContact CD1-CD1 3.94Å; F216-L220 HydrophobicContact CD1-CG 4.39Å; F216-L220 HydrophobicContact CE1-CD1 3.41Å; F216-L220 VanDerWaalsContact CE1-CD1 3.41Å; F216-L220 HydrophobicContact CE1-CG 4.04Å; F216-L220 HydrophobicContact CZ-CD1 3.85Å; F216-L220 HydrophobicContact CZ-CD2 4.28Å; F216-L220 HydrophobicContact CZ-CG 4.1Å; F216-L220 WeakPolarHBondContact O-CG 3.46Å; F216-L220 PolarHBondContact O-N 3.33Å
217	Q	96.3	Very high	94.1	Very high	2 Å²	2	71.2 Å²	71.2	1%	0.009	36%	0.357	C	S	.	.	H	α-helix	trans	-59	-51.1	174.7	-162.6	-170.7	-28.1	0	0	111.3	V83 A87 E196 K198 K213 D214 S219 L220 Y221	V83-Q217 HydrophobicContact CG1-CG 3.68Å; A87-Q217 HydrophobicContact CB-CB 3.83Å; A87-Q217 HydrophobicContact CB-CG 4.06Å; E196-Q217 PolarHBondContact OE1-NE2 3.31Å; K198-Q217 VanDerWaalsContact CE-OE1 3.29Å; K213-Q217 PolarHBondContact O-N 2.8Å; D214-Q217 WeakPolarHBondContact O-CB 3.33Å; D214-Q217 PolarHBondContact O-N 3.37Å; Q217-S219 VanDerWaalsContact C-N 3.3Å; Q217-S219 PolarHBondContact O-N 2.95Å; Q217-L220 WeakPolarHBondContact O-CB 3.45Å; Q217-L220 PolarHBondContact O-N 3.11Å; Q217-L220 VanDerWaalsContact O-N 3.15Å; Q217-Y221 HydrophobicContact CG-CD2 4.34Å; Q217-Y221 HydrophobicContact CG-CE2 3.66Å; Q217-Y221 PolarHBondContact NE2-OH 3.33Å; Q217-Y221 WeakPolarHBondContact O-CD2 3.24Å; Q217-Y221 PolarHBondContact O-N 3.17Å
218	V	96.8	Very high	94.3	Very high	50 Å²	50	68.5 Å²	68.5	30%	0.303	34%	0.342	S	S	.	.	H	α-helix	trans	-60.8	-39	176.7	171.4	0	0	0	0	111.9	L194 E196 D214 C215 L220 Y221 K222	L194-V218 HydrophobicContact CD2-CG1 4.15Å; L194-V218 HydrophobicContact CD2-CG2 4.44Å; E196-V218 HydrophobicContact CB-CG2 3.69Å; E196-V218 HydrophobicContact CG-CG2 4.37Å; D214-V218 WeakPolarHBondContact O-CG2 3.44Å; D214-V218 PolarHBondContact O-N 3.43Å; C215-V218 PolarHBondContact O-N 2.89Å; V218-L220 VanDerWaalsContact C-N 3.33Å; V218-L220 PolarHBondContact O-N 2.94Å; V218-Y221 PolarHBondContact O-N 3.27Å; V218-K222 WeakPolarHBondContact O-CB 3.41Å; V218-K222 PolarHBondContact O-N 3.45Å
219	S	96.6	Very high	94.3	Very high	63 Å²	63	64.9 Å²	64.9	44%	0.441	33%	0.326	S	S	.	.	H	α-helix	trans	-64.7	-38.3	176.8	-58.8	0	0	0	0	111.9	C215 F216 Q217 Y223	C215-S219 WeakPolarHBondContact O-CB 3.44Å; C215-S219 PolarHBondContact O-N 3.02Å; C215-S219 PolarHBondContact O-OG 3.12Å; F216-S219 PolarHBondContact O-N 3.07Å; Q217-S219 VanDerWaalsContact C-N 3.3Å; Q217-S219 PolarHBondContact O-N 2.95Å; S219-Y223 WeakPolarHBondContact O-CB 3.37Å; S219-Y223 PolarHBondContact O-N 3.16Å
220	L	96.7	Very high	94.5	Very high	22 Å²	22	66.2 Å²	66.2	12%	0.115	33%	0.325	C	S	.	.	H	α-helix	trans	-66.1	-46.8	174.6	-77.1	177.6	0	0	0	111.4	V83 L86 F216 Q217 V218 K222 Y223 I224	V83-L220 HydrophobicContact CG1-CB 3.78Å; V83-L220 HydrophobicContact CG1-CD1 4.08Å; V83-L220 HydrophobicContact CG2-CB 4.32Å; L86-L220 HydrophobicContact CB-CD1 3.72Å; L86-L220 HydrophobicContact CD1-CD1 4Å; F216-L220 HydrophobicContact CD1-CD1 3.94Å; F216-L220 HydrophobicContact CD1-CG 4.39Å; F216-L220 HydrophobicContact CE1-CD1 3.41Å; F216-L220 VanDerWaalsContact CE1-CD1 3.41Å; F216-L220 HydrophobicContact CE1-CG 4.04Å; F216-L220 HydrophobicContact CZ-CD1 3.85Å; F216-L220 HydrophobicContact CZ-CD2 4.28Å; F216-L220 HydrophobicContact CZ-CG 4.1Å; F216-L220 WeakPolarHBondContact O-CG 3.46Å; F216-L220 PolarHBondContact O-N 3.33Å; Q217-L220 WeakPolarHBondContact O-CB 3.45Å; Q217-L220 PolarHBondContact O-N 3.11Å; Q217-L220 VanDerWaalsContact O-N 3.15Å; V218-L220 VanDerWaalsContact C-N 3.33Å; V218-L220 PolarHBondContact O-N 2.94Å; L220-K222 VanDerWaalsContact C-N 3.31Å; L220-K222 PolarHBondContact O-N 3.12Å; L220-Y223 WeakPolarHBondContact O-CB 3.45Å; L220-Y223 PolarHBondContact O-N 2.87Å; L220-Y223 VanDerWaalsContact O-N 3.12Å; L220-I224 WeakPolarHBondContact O-CG1 3.37Å; L220-I224 PolarHBondContact O-N 3.25Å
221	Y	97.2	Very high	94.8	Very high	1 Å²	1	66.3 Å²	66.3	0%	0.004	33%	0.326	C	S	.	.	H	α-helix	trans	-57.2	-46.3	175.6	-68.7	-51.2	0	0	0	111.6	D22 V83 V168 V180 I181 L194 E196 Q217 V218 Y223 I224 F225	D22-Y221 PolarHBondContact OD2-OH 3.25Å; V83-Y221 HydrophobicContact CB-CD1 4.17Å; V83-Y221 HydrophobicContact CB-CE1 3.62Å; V83-Y221 HydrophobicContact CG1-CD1 3.87Å; V83-Y221 HydrophobicContact CG1-CD2 4.32Å; V83-Y221 HydrophobicContact CG1-CE1 3.54Å; V83-Y221 HydrophobicContact CG1-CE2 4.02Å; V83-Y221 HydrophobicContact CG1-CG 4.23Å; V83-Y221 HydrophobicContact CG2-CD1 3.97Å; V83-Y221 HydrophobicContact CG2-CE1 3.82Å; V168-Y221 HydrophobicContact CG1-CD1 3.86Å; V168-Y221 HydrophobicContact CG1-CE1 4.3Å; V180-Y221 WeakPolarHBondContact O-CE1 3.44Å; V180-Y221 PolarHBondContact O-OH 3.29Å; V180-Y221 VanDerWaalsContact O-OH 3.13Å; I181-Y221 HydrophobicContact CG1-CD1 3.87Å; I181-Y221 HydrophobicContact CG1-CE1 4.42Å; I181-Y221 HydrophobicContact CG1-CG 3.98Å; L194-Y221 HydrophobicContact CD1-CG 4.4Å; L194-Y221 HydrophobicContact CD2-CD2 4.47Å; E196-Y221 WeakPolarHBondContact OE2-CE2 3.4Å; Q217-Y221 HydrophobicContact CG-CD2 4.34Å; Q217-Y221 HydrophobicContact CG-CE2 3.66Å; Q217-Y221 PolarHBondContact NE2-OH 3.33Å; Q217-Y221 WeakPolarHBondContact O-CD2 3.24Å; Q217-Y221 PolarHBondContact O-N 3.17Å; V218-Y221 PolarHBondContact O-N 3.27Å; Y221-Y223 VanDerWaalsContact C-N 3.33Å; Y221-Y223 PolarHBondContact O-N 2.84Å; Y221-I224 HydrophobicContact CD1-CD1 4.41Å; Y221-I224 WeakPolarHBondContact O-CG1 3.1Å; Y221-I224 PolarHBondContact O-N 3.23Å; Y221-F225 WeakPolarHBondContact O-CB 3.38Å; Y221-F225 PolarHBondContact O-N 3.37Å
222	K	95.9	Very high	94.9	Very high	112 Å²	112	65.4 Å²	65.4	49%	0.487	32%	0.324	S	S	.	.	H	α-helix	trans	-58.2	-45.6	174.9	179.9	124.2	-179	59.2	0	111.8	V218 L220 I224 F225 D226	V218-K222 WeakPolarHBondContact O-CB 3.41Å; V218-K222 PolarHBondContact O-N 3.45Å; L220-K222 VanDerWaalsContact C-N 3.31Å; L220-K222 PolarHBondContact O-N 3.12Å; K222-I224 VanDerWaalsContact C-N 3.35Å; K222-I224 PolarHBondContact O-N 2.94Å; K222-F225 PolarHBondContact O-N 3.45Å; K222-D226 IonicContact NZ-OD1 3.34Å; K222-D226 PolarHBondContact NZ-OD1 3.03Å; K222-D226 IonicContact NZ-OD2 3.37Å; K222-D226 PolarHBondContact NZ-OD2 3.47Å; K222-D226 PolarHBondContact O-N 3.1Å
223	Y	95.7	Very high	95	Very high	129 Å²	129	59.6 Å²	59.6	51%	0.506	30%	0.302	S	S	.	.	H	α-helix	trans	-60.8	-40.1	-179.7	171.9	-103.5	0	0	0	113.3	S219 L220 Y221	S219-Y223 WeakPolarHBondContact O-CB 3.37Å; S219-Y223 PolarHBondContact O-N 3.16Å; L220-Y223 WeakPolarHBondContact O-CB 3.45Å; L220-Y223 PolarHBondContact O-N 2.87Å; L220-Y223 VanDerWaalsContact O-N 3.12Å; Y221-Y223 VanDerWaalsContact C-N 3.33Å; Y221-Y223 PolarHBondContact O-N 2.84Å
224	I	95.5	Very high	95.1	Very high	15 Å²	15	61.1 Å²	61.1	8%	0.077	31%	0.312	C	S	.	.	H	α-helix	trans	-86.3	-13.4	-179.5	64.9	177.3	0	0	0	113.6	V83 V168 L177 L220 Y221 K222	V83-I224 HydrophobicContact CG2-CD1 3.8Å; V168-I224 HydrophobicContact CB-CD1 4.34Å; V168-I224 HydrophobicContact CG1-CD1 3.64Å; V168-I224 HydrophobicContact CG1-CG1 4.24Å; V168-I224 HydrophobicContact CG2-CD1 3.89Å; V168-I224 HydrophobicContact CG2-CG1 3.73Å; L177-I224 HydrophobicContact CB-CG2 3.93Å; L177-I224 HydrophobicContact CD1-CG2 3.68Å; L177-I224 HydrophobicContact CG-CG2 4.35Å; L220-I224 WeakPolarHBondContact O-CG1 3.37Å; L220-I224 PolarHBondContact O-N 3.25Å; Y221-I224 HydrophobicContact CD1-CD1 4.41Å; Y221-I224 WeakPolarHBondContact O-CG1 3.1Å; Y221-I224 PolarHBondContact O-N 3.23Å; K222-I224 VanDerWaalsContact C-N 3.35Å; K222-I224 PolarHBondContact O-N 2.94Å
225	F	92.8	Very high	95.3	Very high	74 Å²	74	64.1 Å²	64.1	33%	0.325	33%	0.327	S	S	.	.	H	α-helix	trans	-90.4	-30.7	178.7	-169.5	-83.5	0	0	0	112.6	F166 V168 I181 L184 L192 Y221 K222	F166-F225 AromaticContact CD1-CE2 3.97Å; F166-F225 HydrophobicContact CD1-CE2 3.97Å; F166-F225 HydrophobicContact CE1-CD2 4.29Å; F166-F225 AromaticContact CE1-CE2 3.62Å; F166-F225 HydrophobicContact CE1-CE2 3.62Å; F166-F225 HydrophobicContact CZ-CE2 4.45Å; V168-F225 HydrophobicContact CG2-CB 4.32Å; V168-F225 HydrophobicContact CG2-CD2 4.11Å; I181-F225 HydrophobicContact CD1-CD2 3.62Å; I181-F225 HydrophobicContact CD1-CE2 4.19Å; I181-F225 HydrophobicContact CD1-CG 4.42Å; L184-F225 HydrophobicContact CD1-CE2 3.61Å; L184-F225 HydrophobicContact CD1-CZ 3.96Å; L184-F225 HydrophobicContact CD2-CE2 4.41Å; L184-F225 HydrophobicContact CD2-CZ 4.47Å; L192-F225 HydrophobicContact CD2-CE1 3.53Å; L192-F225 HydrophobicContact CD2-CZ 3.74Å; Y221-F225 WeakPolarHBondContact O-CB 3.38Å; Y221-F225 PolarHBondContact O-N 3.37Å; K222-F225 PolarHBondContact O-N 3.45Å
226	D	87.1	Confident	95.2	Very high	155 Å²	155	62.8 Å²	62.8	83%	0.829	31%	0.308	S	S	*	.			trans	-75.6	0	175.9	-72.2	-13.6	0	0	0	112.8	K222	K222-D226 IonicContact NZ-OD1 3.34Å; K222-D226 PolarHBondContact NZ-OD1 3.03Å; K222-D226 IonicContact NZ-OD2 3.37Å; K222-D226 PolarHBondContact NZ-OD2 3.47Å; K222-D226 PolarHBondContact O-N 3.1Å

Retrieved 226 of 226 residues in 41.9 ms (Link to these results)

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