A0A5K4EKB2_SCHMA Loading...

GIY-YIG homing endonuclease

AlphaFold DB , UniProt , Accession A0A5K4EKB2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 150 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	51	Low	64.3	Low	219 Å²	219	93.5 Å²	93.5	100%	1.079	50%	0.497	S	S	*	.				0	136.6	0	-82.8	177	155.9	0	0	108.3
2	S	55.1	Low	64.6	Low	102 Å²	102	97.3 Å²	97.3	71%	0.713	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-67.5	137.9	172.2	38.4	0	0	0	0	109.6	E4	S2-E4 PolarHBondContact O-N 3.16Å
3	P	63.9	Low	65	Low	74 Å²	74	93.1 Å²	93.1	48%	0.481	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-61.9	121.5	177.9	23.9	-31.6	0	0	0	110.2	W5 K17	P3-W5 VanDerWaalsContact O-CD1 3.23Å; P3-K17 HydrophobicContact CB-CD 4.35Å
4	E	66.3	Low	65.2	Low	139 Å²	139	89.6 Å²	89.6	65%	0.65	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-78.9	137.2	175.3	-64.4	-176.7	176.6	0	0	109.8	S2 C18	S2-E4 PolarHBondContact O-N 3.16Å; E4-C18 HydrophobicContact CB-CB 4.18Å; E4-C18 WeakPolarHBondContact O-CB 3.29Å; E4-C18 PolarHBondContact O-N 2.93Å
5	W	69.9	Low	65.6	Low	88 Å²	88	83.7 Å²	83.7	33%	0.333	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.5	178.9	-66.5	86.1	0	0	0	109.4	P3 K16 K17 Y34	P3-W5 VanDerWaalsContact O-CD1 3.23Å; W5-K16 VanDerWaalsContact CE3-C 3.48Å; W5-K17 HydrophobicContact CD2-CB 4.16Å; W5-K17 HydrophobicContact CD2-CG 4.44Å; W5-K17 VanDerWaalsContact CE3-CA 3.42Å; W5-K17 HydrophobicContact CE3-CB 3.74Å; W5-K17 HydrophobicContact CH2-CB 3.79Å; W5-K17 HydrophobicContact CH2-CD 4.4Å; W5-K17 HydrophobicContact CH2-CG 4.36Å; W5-K17 HydrophobicContact CZ2-CB 4.2Å; W5-K17 HydrophobicContact CZ2-CD 4.27Å; W5-K17 HydrophobicContact CZ2-CG 4.3Å; W5-K17 HydrophobicContact CZ3-CB 3.53Å; W5-K17 HydrophobicContact CZ3-CG 4.45Å; W5-K17 VanDerWaalsContact CZ3-N 3.31Å; W5-Y34 HydrophobicContact CD2-CG 4.21Å; W5-Y34 HydrophobicContact CE3-CG 4.25Å; W5-Y34 HydrophobicContact CZ3-CG 4.48Å
6	S	66.6	Low	66	Low	52 Å²	52	82.9 Å²	82.9	36%	0.364	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	121.8	170.3	58.7	0	0	0	0	109.6	G15 K16	S6-G15 CarbonylContact O-C 3.51Å; S6-G15 WeakPolarHBondContact O-CA 3.46Å; S6-K16 PolarHBondContact N-O 3.27Å; S6-K16 PolarHBondContact O-N 3.29Å; S6-K16 PolarHBondContact OG-O 3.12Å
7	I	67.6	Low	66.3	Low	64 Å²	64	83.1 Å²	83.1	33%	0.328	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	134.6	175.8	-55.5	168.1	0	0	0	108.2	T9 L36 H42	I7-T9 PolarHBondContact O-N 3.18Å; I7-L36 HydrophobicContact CD1-CD1 3.6Å; I7-L36 HydrophobicContact CD1-CD2 4.31Å; I7-L36 HydrophobicContact CG1-CD1 4.16Å; I7-H42 HydrophobicContact CG2-CB 4.44Å
8	Y	67.3	Low	66.4	Low	99 Å²	99	80.3 Å²	80.3	39%	0.388	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-75.7	121.5	177.7	-59.6	-71.7	0	0	0	110.8	N10 Y12 T14 K16	Y8-N10 PolarHBondContact O-N 3.22Å; Y8-Y12 HydrophobicContact CG-CD2 4.41Å; Y8-T14 VanDerWaalsContact CD2-O 3.31Å; Y8-T14 WeakPolarHBondContact CD2-O 3.43Å; Y8-K16 HydrophobicContact CE2-CG 4.29Å; Y8-K16 WeakPolarHBondContact OH-CD 3.45Å; Y8-K16 WeakPolarHBondContact OH-CG 3.27Å
9	T	65.5	Low	66.3	Low	62 Å²	62	79.4 Å²	79.4	38%	0.38	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-2.2	-178.6	56.4	0	0	0	0	115.2	I7 G11 H42 R44	I7-T9 PolarHBondContact O-N 3.18Å; T9-G11 PolarHBondContact O-N 3.15Å; T9-H42 CarbonylContact C-O 3.39Å; T9-R44 PolarHBondContact O-N 3.25Å
10	N	68	Low	66.2	Low	119 Å²	119	81.6 Å²	81.6	64%	0.636	42%	0.421	S	S	*	.	B	Isolated β-bridge	trans	-89.1	10.8	-175.4	-65.2	0.5	0	0	0	112.2	Y8 Y12	Y8-N10 PolarHBondContact O-N 3.22Å; N10-Y12 HydrophobicContact CB-CD2 3.99Å; N10-Y12 HydrophobicContact CB-CE2 3.83Å
11	G	65.9	Low	66.2	Low	11 Å²	11	84.5 Å²	84.5	11%	0.113	44%	0.438	C	S	.	.	T	Hydrogen-bonded Turn	trans	85.9	20	178	0	0	0	0	0	115.5	T9 T41 H42	T9-G11 PolarHBondContact O-N 3.15Å; G11-T41 WeakPolarHBondContact O-CB 3.5Å; G11-T41 VanDerWaalsContact O-CG2 3.31Å; G11-T41 WeakPolarHBondContact O-CG2 3.38Å; G11-H42 PolarHBondContact N-O 3.42Å
12	Y	67.7	Low	66.9	Low	138 Å²	138	77.8 Å²	77.8	54%	0.541	42%	0.424	S	S	.	.			trans	-73.7	138.4	168.6	-65.4	-83.6	0	0	0	108.6	Y8 N10 T14	Y8-Y12 HydrophobicContact CG-CD2 4.41Å; N10-Y12 HydrophobicContact CB-CD2 3.99Å; N10-Y12 HydrophobicContact CB-CE2 3.83Å; Y12-T14 PolarHBondContact O-N 3.48Å
13	A	70	Confident	67.4	Low	43 Å²	43	78.5 Å²	78.5	36%	0.355	42%	0.419	S	S	.	.	S	Bend	trans	-77.3	-4.1	171.8	0	0	0	0	0	112.1	L36	A13-L36 PolarHBondContact O-N 3.26Å
14	T	68.1	Low	67.5	Low	44 Å²	44	80.8 Å²	80.8	27%	0.27	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	142.7	-177.5	53.6	0	0	0	0	111.4	Y8 Y12 Y34 I35	Y8-T14 VanDerWaalsContact CD2-O 3.31Å; Y8-T14 WeakPolarHBondContact CD2-O 3.43Å; Y12-T14 PolarHBondContact O-N 3.48Å; T14-Y34 CarbonylContact C-O 3.53Å; T14-Y34 VanDerWaalsContact CA-O 3.29Å; T14-Y34 WeakPolarHBondContact CA-O 3.41Å; T14-I35 HydrophobicContact CG2-CG1 3.86Å
15	G	71.5	Confident	67.5	Low	1 Å²	1	77.9 Å²	77.9	1%	0.01	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	162.4	172.9	0	0	0	0	0	111.3	S6 E33 Y34	S6-G15 CarbonylContact O-C 3.51Å; S6-G15 WeakPolarHBondContact O-CA 3.46Å; G15-E33 WeakPolarHBondContact O-CA 3.27Å; G15-Y34 PolarHBondContact N-O 2.88Å; G15-Y34 PolarHBondContact O-N 3.34Å
16	K	72.2	Confident	67.4	Low	72 Å²	72	84.3 Å²	84.3	31%	0.313	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	143.1	176.4	-67.4	-163.3	-179.4	-166.2	0	111.1	W5 S6 Y8 C18	W5-K16 VanDerWaalsContact CE3-C 3.48Å; S6-K16 PolarHBondContact N-O 3.27Å; S6-K16 PolarHBondContact O-N 3.29Å; S6-K16 PolarHBondContact OG-O 3.12Å; Y8-K16 HydrophobicContact CE2-CG 4.29Å; Y8-K16 WeakPolarHBondContact OH-CD 3.45Å; Y8-K16 WeakPolarHBondContact OH-CG 3.27Å; K16-C18 PolarHBondContact O-N 3.15Å
17	K	71.4	Confident	67.8	Low	85 Å²	85	86.9 Å²	86.9	37%	0.37	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	131.2	178.2	-169.4	175	169.5	178.2	0	109.5	P3 W5 L19 C30 S32	P3-K17 HydrophobicContact CB-CD 4.35Å; W5-K17 HydrophobicContact CD2-CB 4.16Å; W5-K17 HydrophobicContact CD2-CG 4.44Å; W5-K17 VanDerWaalsContact CE3-CA 3.42Å; W5-K17 HydrophobicContact CE3-CB 3.74Å; W5-K17 HydrophobicContact CH2-CB 3.79Å; W5-K17 HydrophobicContact CH2-CD 4.4Å; W5-K17 HydrophobicContact CH2-CG 4.36Å; W5-K17 HydrophobicContact CZ2-CB 4.2Å; W5-K17 HydrophobicContact CZ2-CD 4.27Å; W5-K17 HydrophobicContact CZ2-CG 4.3Å; W5-K17 HydrophobicContact CZ3-CB 3.53Å; W5-K17 HydrophobicContact CZ3-CG 4.45Å; W5-K17 VanDerWaalsContact CZ3-N 3.31Å; K17-L19 PolarHBondContact O-N 3.39Å; K17-C30 PolarHBondContact O-SG 3.48Å; K17-S32 WeakPolarHBondContact CB-OG 3.25Å
18	C	67.3	Low	68.1	Low	34 Å²	34	87.3 Å²	87.3	23%	0.23	46%	0.457	C	S	.	.			trans	-73.1	114.4	171.3	-73.5	0	0	0	0	108.1	E4 K16 F20	E4-C18 HydrophobicContact CB-CB 4.18Å; E4-C18 WeakPolarHBondContact O-CB 3.29Å; E4-C18 PolarHBondContact O-N 2.93Å; K16-C18 PolarHBondContact O-N 3.15Å; C18-F20 HydrophobicContact CB-CD2 4.03Å; C18-F20 PolarHBondContact O-N 2.75Å
19	L	64.3	Low	68.3	Low	62 Å²	62	92.9 Å²	92.9	33%	0.325	48%	0.479	S	S	.	.			trans	-81.6	55.9	177.2	-164.7	72.6	0	0	0	110.1	K17 Q25 V28	K17-L19 PolarHBondContact O-N 3.39Å; L19-Q25 HydrophobicContact CD2-CB 3.91Å; L19-Q25 HydrophobicContact CG-CB 4.43Å; L19-V28 HydrophobicContact CD2-CB 3.6Å; L19-V28 HydrophobicContact CD2-CG1 3.45Å; L19-V28 VanDerWaalsContact CD2-CG1 3.45Å
20	F	65.4	Low	68.5	Low	124 Å²	124	91.3 Å²	91.3	54%	0.544	47%	0.47	S	S	.	.			trans	-119.1	75.1	179.5	-72.8	-88.8	0	0	0	108.8	C18 G22 H24	C18-F20 HydrophobicContact CB-CD2 4.03Å; C18-F20 PolarHBondContact O-N 2.75Å; F20-G22 PolarHBondContact O-N 3.44Å; F20-G22 VanDerWaalsContact O-N 3.13Å; F20-H24 HydrophobicContact CE1-CB 4.37Å; F20-H24 AromaticContact CE1-ND1 3.21Å; F20-H24 WeakPolarHBondContact CE1-ND1 3.49Å; F20-H24 AromaticContact CZ-ND1 3.61Å
21	D	65.3	Low	68.9	Low	143 Å²	143	92 Å²	92	77%	0.765	48%	0.478	S	S	*	.	S	Bend	trans	-86.4	53.9	167.5	-131.3	4.4	0	0	0	108.9	I23	D21-I23 PolarHBondContact O-N 3Å
22	G	65.8	Low	69.5	Low	77 Å²	77	93.8 Å²	93.8	79%	0.794	49%	0.489	S	S	*	.	S	Bend	trans	72.4	-16.2	-174.6	0	0	0	0	0	116.2	F20	F20-G22 PolarHBondContact O-N 3.44Å; F20-G22 VanDerWaalsContact O-N 3.13Å
23	I	65.9	Low	70.1	Confident	117 Å²	117	93 Å²	93	60%	0.6	49%	0.49	S	S	*	.	S	Bend	trans	-107	125.2	178.3	-55.7	175.4	0	0	0	109.5	D21 Q25	D21-I23 PolarHBondContact O-N 3Å; I23-Q25 HydrophobicContact CG2-CG 4.33Å; I23-Q25 PolarHBondContact O-N 3.42Å; I23-Q25 VanDerWaalsContact O-N 3.09Å
24	H	66.1	Low	70.4	Confident	122 Å²	122	96.1 Å²	96.1	57%	0.565	49%	0.494	S	S	*	.			trans	-72.2	100.9	177.4	-177.8	49.2	0	0	0	111.2	F20 R26	F20-H24 HydrophobicContact CE1-CB 4.37Å; F20-H24 AromaticContact CE1-ND1 3.21Å; F20-H24 WeakPolarHBondContact CE1-ND1 3.49Å; F20-H24 AromaticContact CZ-ND1 3.61Å; H24-R26 PolarHBondContact O-N 3.31Å
25	Q	66.8	Low	70.7	Confident	79 Å²	79	99.4 Å²	99.4	37%	0.369	51%	0.508	S	S	.	.			trans	-98.2	61.5	-179	-64.5	-172.2	14.8	0	0	112.3	L19 I23 S27 V28	L19-Q25 HydrophobicContact CD2-CB 3.91Å; L19-Q25 HydrophobicContact CG-CB 4.43Å; I23-Q25 HydrophobicContact CG2-CG 4.33Å; I23-Q25 PolarHBondContact O-N 3.42Å; I23-Q25 VanDerWaalsContact O-N 3.09Å; Q25-S27 PolarHBondContact O-N 3.09Å; Q25-S27 VanDerWaalsContact O-N 3.09Å; Q25-V28 HydrophobicContact CB-CB 4.1Å; Q25-V28 HydrophobicContact CB-CG2 3.94Å; Q25-V28 PolarHBondContact O-N 3.47Å; Q25-V28 VanDerWaalsContact O-N 3.11Å
26	R	67.4	Low	70.6	Confident	223 Å²	223	100.4 Å²	100.4	84%	0.842	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-35	-172.7	-164.4	178.9	-165.3	-178.8	7	115.3	H24	H24-R26 PolarHBondContact O-N 3.31Å
27	S	75.2	Confident	70.5	Confident	105 Å²	105	108.3 Å²	108.3	73%	0.734	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-4.8	-174.8	49.5	0	0	0	0	114.2	Q25	Q25-S27 PolarHBondContact O-N 3.09Å; Q25-S27 VanDerWaalsContact O-N 3.09Å
28	V	74	Confident	70.4	Confident	74 Å²	74	107.9 Å²	107.9	45%	0.448	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-93.2	122.8	-176	-176.6	0	0	0	0	109.4	L19 Q25	L19-V28 HydrophobicContact CD2-CB 3.6Å; L19-V28 HydrophobicContact CD2-CG1 3.45Å; L19-V28 VanDerWaalsContact CD2-CG1 3.45Å; Q25-V28 HydrophobicContact CB-CB 4.1Å; Q25-V28 HydrophobicContact CB-CG2 3.94Å; Q25-V28 PolarHBondContact O-N 3.47Å; Q25-V28 VanDerWaalsContact O-N 3.11Å
29	Y	70.5	Confident	70.2	Confident	216 Å²	216	109.7 Å²	109.7	85%	0.847	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-80.9	127.8	177.6	-68.6	-79.9	0	0	0	110.8
30	C	70.5	Confident	70	Confident	29 Å²	29	113.5 Å²	113.5	20%	0.196	58%	0.582	C	S	.	*	P	Polyproline II helix	trans	-88.7	120	171.2	-179.5	0	0	0	0	110.3	K17 S32	K17-C30 PolarHBondContact O-SG 3.48Å; C30-S32 PolarHBondContact SG-OG 2.97Å
31	T	76.2	Confident	69.8	Low	133 Å²	133	111.4 Å²	111.4	82%	0.816	58%	0.579	S	S	*	*			trans	-95.8	-12	174.6	52.7	0	0	0	0	113.2	E33	T31-E33 PolarHBondContact O-N 2.68Å
32	S	78.7	Confident	69.6	Low	49 Å²	49	108.5 Å²	108.5	34%	0.343	56%	0.561	S	S	.	*			trans	-76	120	178.2	65.4	0	0	0	0	110.8	K17 C30	K17-S32 WeakPolarHBondContact CB-OG 3.25Å; C30-S32 PolarHBondContact SG-OG 2.97Å
33	E	79.1	Confident	69.4	Low	121 Å²	121	111.3 Å²	111.3	57%	0.565	55%	0.551	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-108.3	147.1	176.8	-61.1	-172.1	163.8	0	0	110.2	G15 T31	G15-E33 WeakPolarHBondContact O-CA 3.27Å; T31-E33 PolarHBondContact O-N 2.68Å
34	Y	76.7	Confident	69.2	Low	108 Å²	108	113.7 Å²	113.7	42%	0.424	55%	0.553	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.6	129.5	173.7	178.2	-103.4	0	0	0	109.3	W5 T14 G15 L36	W5-Y34 HydrophobicContact CD2-CG 4.21Å; W5-Y34 HydrophobicContact CE3-CG 4.25Å; W5-Y34 HydrophobicContact CZ3-CG 4.48Å; T14-Y34 CarbonylContact C-O 3.53Å; T14-Y34 VanDerWaalsContact CA-O 3.29Å; T14-Y34 WeakPolarHBondContact CA-O 3.41Å; G15-Y34 PolarHBondContact N-O 2.88Å; G15-Y34 PolarHBondContact O-N 3.34Å; Y34-L36 HydrophobicContact CD1-CD1 4.02Å; Y34-L36 HydrophobicContact CE1-CD1 3.74Å
35	I	75	Confident	69.1	Low	113 Å²	113	116.9 Å²	116.9	58%	0.579	56%	0.559	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.4	121.7	177.3	-60.1	161.2	0	0	0	108	T14 R37	T14-I35 HydrophobicContact CG2-CG1 3.86Å; I35-R37 PolarHBondContact O-N 2.98Å
36	L	68.6	Low	69	Low	22 Å²	22	123 Å²	123	12%	0.115	58%	0.579	C	S	.	*			trans	-66.4	117.4	173.1	-122.3	75.3	0	0	0	109.2	I7 A13 Y34 D38 H42	I7-L36 HydrophobicContact CD1-CD1 3.6Å; I7-L36 HydrophobicContact CD1-CD2 4.31Å; I7-L36 HydrophobicContact CG1-CD1 4.16Å; A13-L36 PolarHBondContact O-N 3.26Å; Y34-L36 HydrophobicContact CD1-CD1 4.02Å; Y34-L36 HydrophobicContact CE1-CD1 3.74Å; L36-D38 WeakPolarHBondContact CB-OD1 3.12Å; L36-D38 VanDerWaalsContact CD2-OD1 3.26Å; L36-D38 WeakPolarHBondContact CD2-OD1 3.41Å; L36-D38 WeakPolarHBondContact CD2-OD2 3.39Å; L36-D38 VanDerWaalsContact CG-OD1 3.3Å; L36-D38 WeakPolarHBondContact CG-OD1 3.48Å; L36-H42 WeakPolarHBondContact CD2-CE1 3.3Å; L36-H42 WeakPolarHBondContact CD2-NE2 3.47Å
37	R	70.3	Confident	69	Low	238 Å²	238	120.3 Å²	120.3	90%	0.898	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.8	-10.1	-177	-69.7	-168.6	179.2	-165	0.3	114.2	I35 G39	I35-R37 PolarHBondContact O-N 2.98Å; R37-G39 PolarHBondContact O-N 3.02Å
38	D	70.3	Confident	68.5	Low	77 Å²	77	120 Å²	120	41%	0.412	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.6	-5.7	-177.7	58.8	-9.8	0	0	0	113.2	L36 F40 H42	L36-D38 WeakPolarHBondContact CB-OD1 3.12Å; L36-D38 VanDerWaalsContact CD2-OD1 3.26Å; L36-D38 WeakPolarHBondContact CD2-OD1 3.41Å; L36-D38 WeakPolarHBondContact CD2-OD2 3.39Å; L36-D38 VanDerWaalsContact CG-OD1 3.3Å; L36-D38 WeakPolarHBondContact CG-OD1 3.48Å; D38-F40 HydrophobicContact CB-CD2 4.14Å; D38-F40 WeakPolarHBondContact O-CD2 3.33Å; D38-F40 PolarHBondContact O-N 3.1Å; D38-F40 VanDerWaalsContact O-N 3.07Å; D38-H42 IonicContact OD2-CE1 3.96Å; D38-H42 PolarHBondContact OD2-CE1 3.23Å
39	G	62.9	Low	68	Low	71 Å²	71	120.6 Å²	120.6	73%	0.732	58%	0.575	S	S	*	*			trans	71	-1.1	178	0	0	0	0	0	113.7	R37 T41	R37-G39 PolarHBondContact O-N 3.02Å; G39-T41 PolarHBondContact O-N 3.33Å
40	F	60.2	Low	67.5	Low	143 Å²	143	115.5 Å²	115.5	63%	0.627	56%	0.559	S	S	*	*			trans	-89.2	105	178.7	-73.9	-78.8	0	0	0	109.8	D38 H42	D38-F40 HydrophobicContact CB-CD2 4.14Å; D38-F40 WeakPolarHBondContact O-CD2 3.33Å; D38-F40 PolarHBondContact O-N 3.1Å; D38-F40 VanDerWaalsContact O-N 3.07Å; F40-H42 PolarHBondContact O-N 3.03Å; F40-H42 PolarHBondContact O-ND1 3.46Å; F40-H42 VanDerWaalsContact O-ND1 3.11Å
41	T	60.6	Low	67.1	Low	80 Å²	80	122.1 Å²	122.1	49%	0.491	59%	0.587	S	S	.	*			trans	-62.2	110	161.9	53.9	0	0	0	0	107.8	G11 G39 K43	G11-T41 WeakPolarHBondContact O-CB 3.5Å; G11-T41 VanDerWaalsContact O-CG2 3.31Å; G11-T41 WeakPolarHBondContact O-CG2 3.38Å; G39-T41 PolarHBondContact O-N 3.33Å; T41-K43 PolarHBondContact O-N 3.02Å
42	H	61.5	Low	66.4	Low	82 Å²	82	119.1 Å²	119.1	38%	0.38	56%	0.564	S	S	.	*			trans	-72	65.6	176.3	-70.7	9.4	0	0	0	109.6	I7 T9 G11 L36 D38 F40	I7-H42 HydrophobicContact CG2-CB 4.44Å; T9-H42 CarbonylContact C-O 3.39Å; G11-H42 PolarHBondContact N-O 3.42Å; L36-H42 WeakPolarHBondContact CD2-CE1 3.3Å; L36-H42 WeakPolarHBondContact CD2-NE2 3.47Å; D38-H42 IonicContact OD2-CE1 3.96Å; D38-H42 PolarHBondContact OD2-CE1 3.23Å; F40-H42 PolarHBondContact O-N 3.03Å; F40-H42 PolarHBondContact O-ND1 3.46Å; F40-H42 VanDerWaalsContact O-ND1 3.11Å
43	K	60.2	Low	65.8	Low	135 Å²	135	123.6 Å²	123.6	59%	0.587	58%	0.584	S	S	*	*	B	Isolated β-bridge	trans	-76.1	129.5	165.3	-73.9	-173.5	179.3	177.2	0	107.1	T41 R45	T41-K43 PolarHBondContact O-N 3.02Å; K43-R45 PolarHBondContact O-N 3.43Å
44	R	61.8	Low	65	Low	168 Å²	168	122 Å²	122	63%	0.634	59%	0.586	S	S	*	*			trans	-52.2	118.9	161.7	-87	-178.9	179.5	169.3	0.4	108.5	T9 R46 I49	T9-R44 PolarHBondContact O-N 3.25Å; R44-R46 PolarHBondContact O-N 3.12Å; R44-I49 HydrophobicContact CB-CD1 3.82Å; R44-I49 HydrophobicContact CG-CD1 4.13Å
45	R	65.6	Low	64.2	Low	188 Å²	188	122.4 Å²	122.4	71%	0.709	59%	0.594	S	S	*	*			trans	-70	83.2	175.4	-64.8	-171.4	-177.4	-166.6	1.8	108.8	K43 D47 T48 I49	K43-R45 PolarHBondContact O-N 3.43Å; R45-D47 PolarHBondContact O-N 3.17Å; R45-D47 VanDerWaalsContact O-N 3.12Å; R45-T48 WeakPolarHBondContact CB-OG1 3.33Å; R45-T48 PolarHBondContact O-N 3.33Å; R45-I49 WeakPolarHBondContact O-CG1 3.47Å; R45-I49 PolarHBondContact O-N 3.09Å; R45-I49 VanDerWaalsContact O-N 3.08Å
46	R	64.7	Low	63.6	Low	207 Å²	207	126.9 Å²	126.9	78%	0.781	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.7	-35.7	-176.3	-82.3	-169.2	-79.5	162.5	-5.1	112.4	R44 T48 I49	R44-R46 PolarHBondContact O-N 3.12Å; R46-T48 VanDerWaalsContact C-N 3.28Å; R46-T48 PolarHBondContact O-N 3.26Å; R46-I49 PolarHBondContact O-N 3.05Å
47	D	66.3	Low	63	Low	167 Å²	167	132 Å²	132	89%	0.893	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-21.8	-177.8	-47.6	-30.6	0	0	0	112.7	R45	R45-D47 PolarHBondContact O-N 3.17Å; R45-D47 VanDerWaalsContact O-N 3.12Å
48	T	65.7	Low	62.4	Low	99 Å²	99	126 Å²	126	61%	0.607	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	-19.2	177.1	-34.1	0	0	0	0	112.1	R45 R46 E50	R45-T48 WeakPolarHBondContact CB-OG1 3.33Å; R45-T48 PolarHBondContact O-N 3.33Å; R46-T48 VanDerWaalsContact C-N 3.28Å; R46-T48 PolarHBondContact O-N 3.26Å; T48-E50 PolarHBondContact O-N 3.34Å
49	I	62.9	Low	61.8	Low	86 Å²	86	127.8 Å²	127.8	44%	0.441	63%	0.633	S	S	.	*	S	Bend	trans	-75.7	109.5	179.3	-66	163.8	0	0	0	108.1	R44 R45 R46 Q51	R44-I49 HydrophobicContact CB-CD1 3.82Å; R44-I49 HydrophobicContact CG-CD1 4.13Å; R45-I49 WeakPolarHBondContact O-CG1 3.47Å; R45-I49 PolarHBondContact O-N 3.09Å; R45-I49 VanDerWaalsContact O-N 3.08Å; R46-I49 PolarHBondContact O-N 3.05Å; I49-Q51 PolarHBondContact O-N 3.2Å
50	E	60.3	Low	61.9	Low	109 Å²	109	129.9 Å²	129.9	51%	0.509	62%	0.622	S	S	.	*			trans	-62.3	102.6	168.4	-67.2	-174.3	176.1	0	0	109.3	T48 H52 N53 S54	T48-E50 PolarHBondContact O-N 3.34Å; E50-H52 PolarHBondContact O-N 3.48Å; E50-N53 PolarHBondContact O-N 2.92Å; E50-S54 VanDerWaalsContact OE2-CA 3.23Å; E50-S54 WeakPolarHBondContact OE2-CA 3.38Å; E50-S54 WeakPolarHBondContact OE2-CB 3.4Å; E50-S54 PolarHBondContact OE2-N 3.24Å; E50-S54 PolarHBondContact OE2-OG 2.98Å
51	Q	61.1	Low	61.9	Low	168 Å²	168	129.9 Å²	129.9	79%	0.785	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-20.7	-176.5	-66.9	-172.1	-19.4	0	0	113.5	I49	I49-Q51 PolarHBondContact O-N 3.2Å
52	H	61.7	Low	61.7	Low	70 Å²	70	129.6 Å²	129.6	32%	0.324	65%	0.649	S	S	.	*	T	Hydrogen-bonded Turn	trans	-125.4	21	-174.2	-79.4	-84	0	0	0	113.8	E50 S54 I55	E50-H52 PolarHBondContact O-N 3.48Å; H52-S54 VanDerWaalsContact C-N 3.31Å; H52-S54 PolarHBondContact O-N 2.96Å; H52-I55 HydrophobicContact CB-CB 4.22Å; H52-I55 WeakPolarHBondContact O-CB 3.36Å; H52-I55 WeakPolarHBondContact O-CG1 3.45Å; H52-I55 PolarHBondContact O-N 3.43Å
53	N	65.6	Low	61.7	Low	143 Å²	143	129.2 Å²	129.2	77%	0.765	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	44.3	55.8	-179.7	-66.3	-22.1	0	0	0	111.9	E50 I55	E50-N53 PolarHBondContact O-N 2.92Å; N53-I55 PolarHBondContact O-N 2.91Å; N53-I55 VanDerWaalsContact O-N 3.1Å
54	S	62.5	Low	61.5	Low	87 Å²	87	128.1 Å²	128.1	61%	0.608	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	62.8	10.2	-178.9	-32.1	0	0	0	0	116.9	E50 H52 F56	E50-S54 VanDerWaalsContact OE2-CA 3.23Å; E50-S54 WeakPolarHBondContact OE2-CA 3.38Å; E50-S54 WeakPolarHBondContact OE2-CB 3.4Å; E50-S54 PolarHBondContact OE2-N 3.24Å; E50-S54 PolarHBondContact OE2-OG 2.98Å; H52-S54 VanDerWaalsContact C-N 3.31Å; H52-S54 PolarHBondContact O-N 2.96Å; S54-F56 PolarHBondContact O-N 3.49Å; S54-F56 VanDerWaalsContact O-N 3.13Å
55	I	61.3	Low	61.4	Low	118 Å²	118	124.9 Å²	124.9	61%	0.605	65%	0.648	S	S	*	*			trans	-70.9	112.8	174.1	-58.5	169.7	0	0	0	108.9	H52 N53 K57	H52-I55 HydrophobicContact CB-CB 4.22Å; H52-I55 WeakPolarHBondContact O-CB 3.36Å; H52-I55 WeakPolarHBondContact O-CG1 3.45Å; H52-I55 PolarHBondContact O-N 3.43Å; N53-I55 PolarHBondContact O-N 2.91Å; N53-I55 VanDerWaalsContact O-N 3.1Å; I55-K57 PolarHBondContact O-N 3.2Å
56	F	60.6	Low	60.9	Low	206 Å²	206	120.7 Å²	120.7	90%	0.904	63%	0.633	S	S	*	*			trans	-65.3	17.3	-166.8	-116.5	-85.1	0	0	0	117.5	S54	S54-F56 PolarHBondContact O-N 3.49Å; S54-F56 VanDerWaalsContact O-N 3.13Å
57	K	57.6	Low	60.7	Low	131 Å²	131	115.1 Å²	115.1	57%	0.57	64%	0.64	S	S	*	*			trans	-121.9	120.9	-174.5	-70.1	-173.8	-179.4	175.7	0	111.4	I55 M59	I55-K57 PolarHBondContact O-N 3.2Å; K57-M59 PolarHBondContact O-N 3.16Å
58	S	57.2	Low	60.3	Low	112 Å²	112	108.8 Å²	108.8	78%	0.783	61%	0.609	S	S	*	*			trans	-49.8	127.6	162.5	58.1	0	0	0	0	108.7	K60	S58-K60 PolarHBondContact O-N 3.05Å
59	M	58.2	Low	60.1	Low	114 Å²	114	109.3 Å²	109.3	56%	0.562	61%	0.612	S	S	*	*			trans	-34.4	110.8	179.7	-159.6	161.3	69.2	0	0	111.1	K57 D63	K57-M59 PolarHBondContact O-N 3.16Å; M59-D63 HydrophobicContact CG-CB 3.61Å
60	K	63.3	Low	60.1	Low	115 Å²	115	111.1 Å²	111.1	50%	0.5	62%	0.619	S	S	.	*			trans	-68.6	150.4	177.5	-71.6	-178.1	175.5	-177.4	0	109.1	S58 G62 D63	S58-K60 PolarHBondContact O-N 3.05Å; K60-G62 PolarHBondContact O-N 3.4Å; K60-D63 PolarHBondContact N-OD2 3.43Å; K60-D63 WeakPolarHBondContact O-CB 3.44Å; K60-D63 PolarHBondContact O-N 3.2Å
61	P	60.3	Low	60.3	Low	143 Å²	143	114 Å²	114	93%	0.929	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.1	111.8	167	-20.3	31.2	0	0	0	109.4
62	G	57	Low	60.5	Low	73 Å²	73	106.4 Å²	106.4	75%	0.753	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	107.4	-11.7	-174.6	0	0	0	0	0	115.4	K60 K64	K60-G62 PolarHBondContact O-N 3.4Å; G62-K64 PolarHBondContact O-N 2.96Å
63	D	61.5	Low	60.5	Low	74 Å²	74	106.4 Å²	106.4	40%	0.396	60%	0.598	S	S	.	*			trans	-61.5	119.9	164.9	-81.8	-17.8	0	0	0	107.8	M59 K60 S65	M59-D63 HydrophobicContact CG-CB 3.61Å; K60-D63 PolarHBondContact N-OD2 3.43Å; K60-D63 WeakPolarHBondContact O-CB 3.44Å; K60-D63 PolarHBondContact O-N 3.2Å; D63-S65 PolarHBondContact O-N 3.46Å
64	K	56.6	Low	60.5	Low	113 Å²	113	103 Å²	103	49%	0.491	58%	0.58	S	S	.	*			trans	-71.5	131.8	-178.9	-60.9	-177.7	178.3	166.9	0	108.2	G62 Y66 S72	G62-K64 PolarHBondContact O-N 2.96Å; K64-Y66 HydrophobicContact CB-CD2 3.5Å; K64-Y66 VanDerWaalsContact CB-CD2 3.5Å; K64-Y66 HydrophobicContact CB-CE2 3.84Å; K64-Y66 HydrophobicContact CD-CD2 4.05Å; K64-Y66 HydrophobicContact CD-CE2 4.09Å; K64-Y66 HydrophobicContact CG-CD2 4.31Å; K64-Y66 HydrophobicContact CG-CE2 4.32Å; K64-Y66 PolarHBondContact O-N 2.9Å; K64-S72 PolarHBondContact NZ-OG 2.95Å
65	S	58.6	Low	60.6	Low	100 Å²	100	102.1 Å²	102.1	70%	0.699	57%	0.565	S	S	*	*	S	Bend	trans	-64.8	11.7	178.7	37.9	0	0	0	0	114.9	D63	D63-S65 PolarHBondContact O-N 3.46Å
66	Y	56.4	Low	60.8	Low	99 Å²	99	103.6 Å²	103.6	39%	0.388	56%	0.564	S	S	.	*			trans	-92.4	117.8	-177.1	-50.1	-63.9	0	0	0	110	K64 S68 P73	K64-Y66 HydrophobicContact CB-CD2 3.5Å; K64-Y66 VanDerWaalsContact CB-CD2 3.5Å; K64-Y66 HydrophobicContact CB-CE2 3.84Å; K64-Y66 HydrophobicContact CD-CD2 4.05Å; K64-Y66 HydrophobicContact CD-CE2 4.09Å; K64-Y66 HydrophobicContact CG-CD2 4.31Å; K64-Y66 HydrophobicContact CG-CE2 4.32Å; K64-Y66 PolarHBondContact O-N 2.9Å; Y66-S68 WeakPolarHBondContact CB-O 3.3Å; Y66-S68 PolarHBondContact O-N 3.06Å; Y66-S68 VanDerWaalsContact O-N 3.1Å; Y66-P73 VanDerWaalsContact CE2-CD 3.45Å; Y66-P73 HydrophobicContact CE2-CG 4.38Å
67	G	59.9	Low	61.1	Low	90 Å²	90	100 Å²	100	93%	0.928	55%	0.548	S	S	*	.	S	Bend	trans	-63.3	-11.2	174.5	0	0	0	0	0	114.5
68	S	58.1	Low	61.2	Low	35 Å²	35	100.1 Å²	100.1	25%	0.245	55%	0.553	C	S	.	*	S	Bend	trans	-135.7	141.3	169.4	179	0	0	0	0	110.7	Y66 E70 Y71	Y66-S68 WeakPolarHBondContact CB-O 3.3Å; Y66-S68 PolarHBondContact O-N 3.06Å; Y66-S68 VanDerWaalsContact O-N 3.1Å; S68-E70 PolarHBondContact O-N 2.93Å; S68-E70 PolarHBondContact OG-OE1 3.24Å; S68-Y71 PolarHBondContact O-N 3.39Å
69	V	62.4	Low	61.2	Low	110 Å²	110	102.3 Å²	102.3	67%	0.667	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-59.1	-29.1	-178.5	-176.8	0	0	0	0	111.7	Y71 S72 F75	V69-Y71 PolarHBondContact O-N 2.98Å; V69-S72 WeakPolarHBondContact O-CB 3.34Å; V69-S72 PolarHBondContact O-N 3.31Å; V69-S72 VanDerWaalsContact O-N 3.13Å; V69-F75 HydrophobicContact CB-CE2 4.49Å; V69-F75 HydrophobicContact CG1-CD2 3.75Å; V69-F75 HydrophobicContact CG1-CE2 3.88Å; V69-F75 WeakPolarHBondContact O-CD2 3.35Å
70	E	62.2	Low	61	Low	124 Å²	124	98.9 Å²	98.9	58%	0.579	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-60.1	-31	-179.3	-55.5	170.8	-107.1	0	0	113	S68 S72 F75	S68-E70 PolarHBondContact O-N 2.93Å; S68-E70 PolarHBondContact OG-OE1 3.24Å; E70-S72 VanDerWaalsContact C-N 3.29Å; E70-S72 PolarHBondContact O-N 3.02Å; E70-F75 HydrophobicContact CB-CD1 4.48Å; E70-F75 HydrophobicContact CB-CE1 4.35Å; E70-F75 HydrophobicContact CG-CE1 4.33Å; E70-F75 HydrophobicContact CG-CZ 4.23Å
71	Y	64.1	Low	60.9	Low	168 Å²	168	98.8 Å²	98.8	66%	0.659	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-84.8	-1.8	-178	-58.6	-60.5	0	0	0	113.3	S68 V69	S68-Y71 PolarHBondContact O-N 3.39Å; V69-Y71 PolarHBondContact O-N 2.98Å
72	S	64.5	Low	60.7	Low	10 Å²	10	95.7 Å²	95.7	7%	0.07	54%	0.536	C	S	.	.	S	Bend	trans	-65.1	132.7	174.4	134.9	0	0	0	0	110.2	K64 V69 E70 N74 F75	K64-S72 PolarHBondContact NZ-OG 2.95Å; V69-S72 WeakPolarHBondContact O-CB 3.34Å; V69-S72 PolarHBondContact O-N 3.31Å; V69-S72 VanDerWaalsContact O-N 3.13Å; E70-S72 VanDerWaalsContact C-N 3.29Å; E70-S72 PolarHBondContact O-N 3.02Å; S72-N74 PolarHBondContact O-N 3.21Å; S72-N74 PolarHBondContact OG-N 3.46Å; S72-F75 VanDerWaalsContact O-CB 3.25Å; S72-F75 WeakPolarHBondContact O-CB 3.19Å; S72-F75 PolarHBondContact O-N 2.96Å; S72-F75 PolarHBondContact OG-N 3.3Å
73	P	63.2	Low	60.9	Low	70 Å²	70	95.5 Å²	95.5	46%	0.455	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-17.8	-179.2	-26.4	32	0	0	0	115	Y66 Y76	Y66-P73 VanDerWaalsContact CE2-CD 3.45Å; Y66-P73 HydrophobicContact CE2-CG 4.38Å; P73-Y76 WeakPolarHBondContact O-CE1 3.23Å; P73-Y76 PolarHBondContact O-OH 2.94Å
74	N	65.1	Low	61	Low	72 Å²	72	101.1 Å²	101.1	39%	0.385	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	10.9	179.7	-64.8	-32.3	0	0	0	112.5	S72 Y76 K77	S72-N74 PolarHBondContact O-N 3.21Å; S72-N74 PolarHBondContact OG-N 3.46Å; N74-Y76 PolarHBondContact O-N 2.8Å; N74-K77 HydrophobicContact CB-CB 4.44Å; N74-K77 HydrophobicContact CB-CD 4.09Å; N74-K77 HydrophobicContact CB-CG 4.39Å; N74-K77 WeakPolarHBondContact O-CB 3.11Å; N74-K77 PolarHBondContact O-N 3.04Å; N74-K77 WeakPolarHBondContact OD1-CD 3.35Å; N74-K77 VanDerWaalsContact OD1-CE 3.3Å; N74-K77 WeakPolarHBondContact OD1-CE 3.33Å; N74-K77 PolarHBondContact OD1-NZ 2.96Å
75	F	64.8	Low	61.2	Low	67 Å²	67	100.4 Å²	100.4	29%	0.294	55%	0.547	S	S	.	.	G	3₁₀ helix	trans	-55.6	-41	-177.9	176.8	-112.8	0	0	0	111.9	V69 E70 S72 K77	V69-F75 HydrophobicContact CB-CE2 4.49Å; V69-F75 HydrophobicContact CG1-CD2 3.75Å; V69-F75 HydrophobicContact CG1-CE2 3.88Å; V69-F75 WeakPolarHBondContact O-CD2 3.35Å; E70-F75 HydrophobicContact CB-CD1 4.48Å; E70-F75 HydrophobicContact CB-CE1 4.35Å; E70-F75 HydrophobicContact CG-CE1 4.33Å; E70-F75 HydrophobicContact CG-CZ 4.23Å; S72-F75 VanDerWaalsContact O-CB 3.25Å; S72-F75 WeakPolarHBondContact O-CB 3.19Å; S72-F75 PolarHBondContact O-N 2.96Å; S72-F75 PolarHBondContact OG-N 3.3Å; F75-K77 VanDerWaalsContact C-N 3.25Å; F75-K77 PolarHBondContact O-N 2.93Å
76	Y	64.7	Low	61.3	Low	149 Å²	149	104.7 Å²	104.7	58%	0.584	55%	0.548	S	S	*	.	G	3₁₀ helix	trans	-72.5	-10.3	177.5	56.8	-94.7	0	0	0	114.6	P73 N74	P73-Y76 WeakPolarHBondContact O-CE1 3.23Å; P73-Y76 PolarHBondContact O-OH 2.94Å; N74-Y76 PolarHBondContact O-N 2.8Å
77	K	67.3	Low	61.5	Low	130 Å²	130	109.2 Å²	109.2	57%	0.565	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-86.7	-29.3	-172.6	-65.9	-173.1	-177.9	165.2	0	113.8	N74 F75	N74-K77 HydrophobicContact CB-CB 4.44Å; N74-K77 HydrophobicContact CB-CD 4.09Å; N74-K77 HydrophobicContact CB-CG 4.39Å; N74-K77 WeakPolarHBondContact O-CB 3.11Å; N74-K77 PolarHBondContact O-N 3.04Å; N74-K77 WeakPolarHBondContact OD1-CD 3.35Å; N74-K77 VanDerWaalsContact OD1-CE 3.3Å; N74-K77 WeakPolarHBondContact OD1-CE 3.33Å; N74-K77 PolarHBondContact OD1-NZ 2.96Å; F75-K77 VanDerWaalsContact C-N 3.25Å; F75-K77 PolarHBondContact O-N 2.93Å
78	I	60.8	Low	61.5	Low	135 Å²	135	108.5 Å²	108.5	69%	0.692	56%	0.563	S	S	*	*	S	Bend	trans	-111.7	100.5	-176.7	-59.9	169.3	0	0	0	108	S80	I78-S80 PolarHBondContact O-N 2.82Å
79	N	56.9	Low	61.3	Low	158 Å²	158	111.9 Å²	111.9	85%	0.845	58%	0.577	S	S	*	*			trans	40.2	44.2	166.9	-61.7	-21	0	0	0	114.5	S81	N79-S81 PolarHBondContact O-N 2.78Å
80	S	54.3	Low	61.1	Low	41 Å²	41	115 Å²	115	29%	0.287	59%	0.589	S	S	.	*			trans	-48.6	112.1	173.2	164.5	0	0	0	0	107.5	I78 V82	I78-S80 PolarHBondContact O-N 2.82Å; S80-V82 PolarHBondContact O-N 3.13Å; S80-V82 VanDerWaalsContact O-N 3.12Å; S80-V82 PolarHBondContact OG-N 3.48Å; S80-V82 PolarHBondContact OG-O 2.56Å
81	S	60.3	Low	60.7	Low	113 Å²	113	114.7 Å²	114.7	79%	0.79	60%	0.595	S	S	*	*	S	Bend	trans	-60	-18.7	174.6	41.8	0	0	0	0	111.1	N79	N79-S81 PolarHBondContact O-N 2.78Å
82	V	56.7	Low	60.5	Low	79 Å²	79	112.3 Å²	112.3	48%	0.479	59%	0.59	S	S	.	*	S	Bend	trans	-82.2	124	172	-169.4	0	0	0	0	109.5	S80	S80-V82 PolarHBondContact O-N 3.13Å; S80-V82 VanDerWaalsContact O-N 3.12Å; S80-V82 PolarHBondContact OG-N 3.48Å; S80-V82 PolarHBondContact OG-O 2.56Å
83	P	61.3	Low	60.2	Low	69 Å²	69	119 Å²	119	45%	0.448	62%	0.623	S	S	.	*	P	Polyproline II helix	trans	-59.4	142.1	177.4	22.4	-30.4	0	0	0	110.6	V85 H92	P83-V85 PolarHBondContact O-N 3.02Å; P83-H92 VanDerWaalsContact CG-NE2 3.34Å; P83-H92 WeakPolarHBondContact CG-NE2 3.38Å
84	K	62.2	Low	60	Low	191 Å²	191	119.9 Å²	119.9	83%	0.83	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-52.4	118.7	174.2	-73.3	-177.5	178.3	179	0	108.9	R86	K84-R86 PolarHBondContact O-N 3.3Å
85	V	61.1	Low	59.6	Low	99 Å²	99	125.4 Å²	125.4	60%	0.6	65%	0.65	S	S	*	*			trans	-60.9	106.4	177.2	177.7	0	0	0	0	108.3	P83 F87	P83-V85 PolarHBondContact O-N 3.02Å; V85-F87 HydrophobicContact CB-CE2 4.27Å; V85-F87 HydrophobicContact CB-CZ 4.36Å; V85-F87 HydrophobicContact CG1-CD1 3.88Å; V85-F87 HydrophobicContact CG1-CD2 3.93Å; V85-F87 HydrophobicContact CG1-CE1 3.6Å; V85-F87 HydrophobicContact CG1-CE2 3.65Å; V85-F87 HydrophobicContact CG1-CG 4.05Å; V85-F87 HydrophobicContact CG1-CZ 3.48Å; V85-F87 VanDerWaalsContact CG1-CZ 3.48Å; V85-F87 PolarHBondContact O-N 3.05Å
86	R	61.4	Low	59.4	Low	190 Å²	190	130.7 Å²	130.7	72%	0.717	68%	0.675	S	S	*	*			trans	-90.5	88.3	170.9	-68	-173.9	-177.9	-172.7	0.5	107.8	K84 G88 L89	K84-R86 PolarHBondContact O-N 3.3Å; R86-G88 PolarHBondContact O-N 3.1Å; R86-G88 VanDerWaalsContact O-N 3.15Å; R86-L89 HydrophobicContact CB-CB 4.49Å; R86-L89 PolarHBondContact O-N 2.92Å
87	F	60	Low	59.1	Low	193 Å²	193	130.1 Å²	130.1	85%	0.846	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.4	119.9	170.6	-62.8	-75.8	0	0	0	108.8	V85	V85-F87 HydrophobicContact CB-CE2 4.27Å; V85-F87 HydrophobicContact CB-CZ 4.36Å; V85-F87 HydrophobicContact CG1-CD1 3.88Å; V85-F87 HydrophobicContact CG1-CD2 3.93Å; V85-F87 HydrophobicContact CG1-CE1 3.6Å; V85-F87 HydrophobicContact CG1-CE2 3.65Å; V85-F87 HydrophobicContact CG1-CG 4.05Å; V85-F87 HydrophobicContact CG1-CZ 3.48Å; V85-F87 VanDerWaalsContact CG1-CZ 3.48Å; V85-F87 PolarHBondContact O-N 3.05Å
88	G	60.4	Low	59	Low	76 Å²	76	132.2 Å²	132.2	78%	0.784	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	100.9	-4.6	173.6	0	0	0	0	0	117.5	R86	R86-G88 PolarHBondContact O-N 3.1Å; R86-G88 VanDerWaalsContact O-N 3.15Å
89	L	54.1	Low	59.1	Low	105 Å²	105	130.9 Å²	130.9	55%	0.55	69%	0.691	S	S	.	*			trans	-114.7	106.2	172.7	-75.4	167.5	0	0	0	110.3	R86 T91	R86-L89 HydrophobicContact CB-CB 4.49Å; R86-L89 PolarHBondContact O-N 2.92Å; L89-T91 PolarHBondContact O-N 3.24Å
90	I	56.9	Low	59.2	Low	177 Å²	177	127.5 Å²	127.5	91%	0.908	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	32.1	-175	-51.5	163.6	0	0	0	111.9
91	T	55.4	Low	59.6	Low	116 Å²	116	137.1 Å²	137.1	71%	0.712	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.1	14.4	-177.7	56.4	0	0	0	0	114.2	L89 I93	L89-T91 PolarHBondContact O-N 3.24Å; T91-I93 PolarHBondContact O-N 2.77Å; T91-I93 VanDerWaalsContact O-N 3.11Å
92	H	58.4	Low	59.9	Low	118 Å²	118	139.3 Å²	139.3	55%	0.546	70%	0.703	S	S	.	*			trans	-77.3	95.4	167.4	161.7	-91.6	0	0	0	109.4	P83 P94	P83-H92 VanDerWaalsContact CG-NE2 3.34Å; P83-H92 WeakPolarHBondContact CG-NE2 3.38Å; H92-P94 WeakPolarHBondContact O-CD 3.39Å
93	I	59.9	Low	60.6	Low	150 Å²	150	141.8 Å²	141.8	77%	0.769	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-72.6	116	157.6	-59.8	172	0	0	0	105.6	T91 K95	T91-I93 PolarHBondContact O-N 2.77Å; T91-I93 VanDerWaalsContact O-N 3.11Å; I93-K95 PolarHBondContact O-N 3.18Å
94	P	57.2	Low	60.6	Low	89 Å²	89	144.1 Å²	144.1	58%	0.578	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-59.1	123.8	178	22.4	-30.3	0	0	0	109.1	H92 Q96	H92-P94 WeakPolarHBondContact O-CD 3.39Å; P94-Q96 PolarHBondContact O-N 2.9Å
95	K	58.1	Low	60.6	Low	188 Å²	188	139.6 Å²	139.6	82%	0.817	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-62.1	134.7	169.6	-74.5	-176	176.3	-177.1	0	108.1	I93 I97	I93-K95 PolarHBondContact O-N 3.18Å; K95-I97 PolarHBondContact O-N 2.89Å
96	Q	61.1	Low	60.6	Low	179 Å²	179	139.7 Å²	139.7	84%	0.836	73%	0.728	S	S	*	*			trans	-62.4	104.3	175.9	-160.1	172.4	-1.6	0	0	107.7	P94 E98	P94-Q96 PolarHBondContact O-N 2.9Å; Q96-E98 PolarHBondContact O-N 2.93Å; Q96-E98 VanDerWaalsContact O-N 3.08Å
97	I	56.9	Low	60.6	Low	137 Å²	137	136.8 Å²	136.8	70%	0.703	73%	0.726	S	S	*	*			trans	-73.6	103.6	177.9	-56.8	173.4	0	0	0	105.8	K95 V99	K95-I97 PolarHBondContact O-N 2.89Å; I97-V99 HydrophobicContact CG2-CG2 3.69Å; I97-V99 PolarHBondContact O-N 3.18Å
98	E	65.4	Low	60.6	Low	173 Å²	173	133.8 Å²	133.8	81%	0.808	72%	0.717	S	S	*	*			trans	-72	81.7	167.6	-66.3	-177.7	-174.3	0	0	107.8	Q96 P100	Q96-E98 PolarHBondContact O-N 2.93Å; Q96-E98 VanDerWaalsContact O-N 3.08Å; E98-P100 WeakPolarHBondContact O-CD 3.38Å
99	V	63.7	Low	60.6	Low	107 Å²	107	136.1 Å²	136.1	65%	0.648	71%	0.708	S	S	*	*			trans	-66.1	116.5	168.4	-178.5	0	0	0	0	106.4	I97 R101	I97-V99 HydrophobicContact CG2-CG2 3.69Å; I97-V99 PolarHBondContact O-N 3.18Å; V99-R101 PolarHBondContact O-N 3.08Å
100	P	57.6	Low	61.3	Low	88 Å²	88	133.1 Å²	133.1	57%	0.571	70%	0.696	S	S	*	*			trans	-61.7	114.1	175.9	-16.7	30.2	0	0	0	108	E98 F102	E98-P100 WeakPolarHBondContact O-CD 3.38Å; P100-F102 HydrophobicContact CB-CE2 4.03Å; P100-F102 HydrophobicContact CB-CZ 4.06Å; P100-F102 WeakPolarHBondContact O-CD2 3.38Å; P100-F102 PolarHBondContact O-N 3.39Å; P100-F102 VanDerWaalsContact O-N 3.1Å
101	R	63.8	Low	62.1	Low	242 Å²	242	130.4 Å²	130.4	91%	0.913	69%	0.688	S	S	*	*			trans	-75.1	99.4	172.8	-67.5	-177.1	-175.1	158.8	1.2	107.1	V99	V99-R101 PolarHBondContact O-N 3.08Å
102	F	67.4	Low	63.3	Low	160 Å²	160	131.1 Å²	131.1	70%	0.702	68%	0.683	S	S	*	*			trans	-70.2	140.6	166.9	-61.7	-78.6	0	0	0	108.6	P100 V104	P100-F102 HydrophobicContact CB-CE2 4.03Å; P100-F102 HydrophobicContact CB-CZ 4.06Å; P100-F102 WeakPolarHBondContact O-CD2 3.38Å; P100-F102 PolarHBondContact O-N 3.39Å; P100-F102 VanDerWaalsContact O-N 3.1Å; F102-V104 PolarHBondContact O-N 3.43Å
103	P	70.4	Confident	64.4	Low	131 Å²	131	129.6 Å²	129.6	85%	0.851	68%	0.676	S	S	*	*			trans	-63	102.9	172.7	26.5	-32.3	0	0	0	108.1	S105	P103-S105 PolarHBondContact O-N 2.96Å
104	V	60.6	Low	65.5	Low	118 Å²	118	126.7 Å²	126.7	72%	0.715	66%	0.659	S	S	*	*			trans	-84	112.2	170.4	-177.1	0	0	0	0	105.9	F102	F102-V104 PolarHBondContact O-N 3.43Å
105	S	63.6	Low	67.1	Low	95 Å²	95	129.3 Å²	129.3	66%	0.664	66%	0.658	S	S	*	*			trans	-54.9	125.8	166.7	43.6	0	0	0	0	107.7	P103 I107	P103-S105 PolarHBondContact O-N 2.96Å; S105-I107 PolarHBondContact O-N 3.12Å
106	P	59.4	Low	68.7	Low	101 Å²	101	123.8 Å²	123.8	66%	0.656	64%	0.637	S	S	*	*			trans	-56.4	120.5	179.8	23.8	-32.4	0	0	0	107.6	I108	P106-I108 HydrophobicContact CB-CG1 4.01Å; P106-I108 HydrophobicContact CG-CD1 4.31Å; P106-I108 HydrophobicContact CG-CG1 4.28Å; P106-I108 PolarHBondContact O-N 2.83Å
107	I	61.3	Low	70.1	Confident	130 Å²	130	120 Å²	120	67%	0.667	62%	0.62	S	S	*	*			trans	-70.8	81.4	170.6	-60.4	172.1	0	0	0	104.8	S105 Q109	S105-I107 PolarHBondContact O-N 3.12Å; I107-Q109 HydrophobicContact CG2-CB 4.3Å; I107-Q109 HydrophobicContact CG2-CG 3.65Å; I107-Q109 PolarHBondContact O-N 2.79Å
108	I	60.4	Low	71.9	Confident	130 Å²	130	118.2 Å²	118.2	67%	0.667	61%	0.612	S	S	*	*			trans	-78.9	72.1	167.5	-51.2	174.5	0	0	0	104.9	P106 S110	P106-I108 HydrophobicContact CB-CG1 4.01Å; P106-I108 HydrophobicContact CG-CD1 4.31Å; P106-I108 HydrophobicContact CG-CG1 4.28Å; P106-I108 PolarHBondContact O-N 2.83Å; I108-S110 PolarHBondContact O-N 3.07Å
109	Q	61.6	Low	73.4	Confident	125 Å²	125	113 Å²	113	58%	0.584	59%	0.589	S	S	*	*			trans	-69.8	81.4	153.4	-77.2	173.4	13.4	0	0	104.8	I107	I107-Q109 HydrophobicContact CG2-CB 4.3Å; I107-Q109 HydrophobicContact CG2-CG 3.65Å; I107-Q109 PolarHBondContact O-N 2.79Å
110	S	67.7	Low	74.9	Confident	42 Å²	42	115.3 Å²	115.3	29%	0.294	59%	0.59	S	S	.	*			trans	-63.7	144	168.7	57.2	0	0	0	0	107	I108 E112 H113 E114	I108-S110 PolarHBondContact O-N 3.07Å; S110-E112 PolarHBondContact O-N 3Å; S110-H113 WeakPolarHBondContact O-CA 3.39Å; S110-H113 WeakPolarHBondContact O-CB 3.43Å; S110-H113 PolarHBondContact O-N 3.07Å; S110-H113 PolarHBondContact OG-N 2.85Å; S110-E114 PolarHBondContact O-N 3.48Å
111	T	75.2	Confident	76.8	Confident	120 Å²	120	116.5 Å²	116.5	74%	0.736	59%	0.591	S	S	*	*	H	α-helix	trans	-51	-29.5	170.8	48.5	0	0	0	0	111.7	Y115	T111-Y115 VanDerWaalsContact O-CB 3.3Å; T111-Y115 WeakPolarHBondContact O-CB 3.31Å; T111-Y115 PolarHBondContact O-N 3.1Å
112	E	80.4	Confident	78.4	Confident	131 Å²	131	109.4 Å²	109.4	61%	0.612	57%	0.571	S	S	*	*	H	α-helix	trans	-64.8	-39.5	172	-171.7	178.3	-168.7	0	0	113.4	S110 N116	S110-E112 PolarHBondContact O-N 3Å; E112-N116 WeakPolarHBondContact O-CB 3.26Å; E112-N116 PolarHBondContact O-N 3.47Å; E112-N116 PolarHBondContact O-ND2 2.99Å
113	H	81.7	Confident	79.7	Confident	85 Å²	85	107.1 Å²	107.1	39%	0.394	57%	0.565	S	S	.	*	H	α-helix	trans	-66.1	-44.7	175.7	178.6	-89	0	0	0	111.5	S110 N116 Q117	S110-H113 WeakPolarHBondContact O-CA 3.39Å; S110-H113 WeakPolarHBondContact O-CB 3.43Å; S110-H113 PolarHBondContact O-N 3.07Å; S110-H113 PolarHBondContact OG-N 2.85Å; H113-N116 PolarHBondContact O-N 3.23Å; H113-Q117 PolarHBondContact CE1-NE2 2.95Å; H113-Q117 WeakPolarHBondContact O-CG 3.33Å; H113-Q117 PolarHBondContact O-N 2.73Å
114	E	82.7	Confident	81	Confident	90 Å²	90	106.8 Å²	106.8	42%	0.421	55%	0.551	S	S	.	*	H	α-helix	trans	-59.7	-49	174.9	-65.8	-179.2	164.5	0	0	110.8	S110 N116 Q117 D118	S110-E114 PolarHBondContact O-N 3.48Å; E114-N116 VanDerWaalsContact C-N 3.3Å; E114-N116 PolarHBondContact O-N 3.11Å; E114-Q117 WeakPolarHBondContact O-CB 3.3Å; E114-Q117 PolarHBondContact O-N 3.43Å; E114-D118 PolarHBondContact O-N 3.18Å
115	Y	90	Very high	82.7	Confident	144 Å²	144	106.3 Å²	106.3	57%	0.565	54%	0.541	S	S	*	.	H	α-helix	trans	-55.9	-43.4	175.8	179.4	-104	0	0	0	112.6	T111 Q117 D118 L119	T111-Y115 VanDerWaalsContact O-CB 3.3Å; T111-Y115 WeakPolarHBondContact O-CB 3.31Å; T111-Y115 PolarHBondContact O-N 3.1Å; Y115-Q117 VanDerWaalsContact C-N 3.33Å; Y115-Q117 PolarHBondContact O-N 3.22Å; Y115-D118 PolarHBondContact O-N 3.43Å; Y115-L119 HydrophobicContact CD1-CD1 3.86Å; Y115-L119 HydrophobicContact CD1-CG 4.38Å; Y115-L119 HydrophobicContact CE1-CD1 3.29Å; Y115-L119 HydrophobicContact CE1-CG 4.01Å; Y115-L119 HydrophobicContact CE2-CD1 4.46Å; Y115-L119 HydrophobicContact CE2-CG 4.37Å; Y115-L119 WeakPolarHBondContact O-CB 3.21Å; Y115-L119 WeakPolarHBondContact O-CG 3.35Å; Y115-L119 PolarHBondContact O-N 2.83Å
116	N	91.6	Very high	84.2	Confident	71 Å²	71	106.4 Å²	106.4	38%	0.38	53%	0.533	S	S	.	.	H	α-helix	trans	-67.1	-31.8	176.9	-77.6	-43.9	0	0	0	113.1	E112 H113 E114 K120	E112-N116 WeakPolarHBondContact O-CB 3.26Å; E112-N116 PolarHBondContact O-N 3.47Å; E112-N116 PolarHBondContact O-ND2 2.99Å; H113-N116 PolarHBondContact O-N 3.23Å; E114-N116 VanDerWaalsContact C-N 3.3Å; E114-N116 PolarHBondContact O-N 3.11Å; N116-K120 VanDerWaalsContact O-CG 3.3Å; N116-K120 WeakPolarHBondContact O-CG 3.41Å; N116-K120 PolarHBondContact O-N 3.1Å
117	Q	91.3	Very high	85.9	Confident	101 Å²	101	111 Å²	111	47%	0.472	54%	0.537	S	S	.	.	H	α-helix	trans	-70.3	-44.8	174	-74	-174.3	-32.3	0	0	111.3	H113 E114 Y115 L119 K120 L121	H113-Q117 PolarHBondContact CE1-NE2 2.95Å; H113-Q117 WeakPolarHBondContact O-CG 3.33Å; H113-Q117 PolarHBondContact O-N 2.73Å; E114-Q117 WeakPolarHBondContact O-CB 3.3Å; E114-Q117 PolarHBondContact O-N 3.43Å; Y115-Q117 VanDerWaalsContact C-N 3.33Å; Y115-Q117 PolarHBondContact O-N 3.22Å; Q117-L119 VanDerWaalsContact C-N 3.34Å; Q117-L119 PolarHBondContact O-N 3.31Å; Q117-K120 WeakPolarHBondContact O-CB 3.35Å; Q117-K120 PolarHBondContact O-N 2.9Å; Q117-K120 VanDerWaalsContact O-N 3.16Å; Q117-L121 PolarHBondContact O-N 3.43Å
118	D	94.2	Very high	87.5	Confident	99 Å²	99	110.5 Å²	110.5	53%	0.529	53%	0.532	S	S	.	.	H	α-helix	trans	-61	-43.8	177	-72.5	-12.6	0	0	0	111.4	E114 Y115 K120 L121 L122	E114-D118 PolarHBondContact O-N 3.18Å; Y115-D118 PolarHBondContact O-N 3.43Å; D118-K120 VanDerWaalsContact C-N 3.32Å; D118-K120 PolarHBondContact O-N 2.96Å; D118-L121 PolarHBondContact O-N 3.42Å; D118-L122 PolarHBondContact O-N 2.82Å
119	L	96.2	Very high	89	Confident	63 Å²	63	109 Å²	109	33%	0.33	53%	0.525	S	S	.	.	H	α-helix	trans	-59.8	-40.9	174.5	-77.8	-177.1	0	0	0	112.6	Y115 Q117 L121 L122 L123	Y115-L119 HydrophobicContact CD1-CD1 3.86Å; Y115-L119 HydrophobicContact CD1-CG 4.38Å; Y115-L119 HydrophobicContact CE1-CD1 3.29Å; Y115-L119 HydrophobicContact CE1-CG 4.01Å; Y115-L119 HydrophobicContact CE2-CD1 4.46Å; Y115-L119 HydrophobicContact CE2-CG 4.37Å; Y115-L119 WeakPolarHBondContact O-CB 3.21Å; Y115-L119 WeakPolarHBondContact O-CG 3.35Å; Y115-L119 PolarHBondContact O-N 2.83Å; Q117-L119 VanDerWaalsContact C-N 3.34Å; Q117-L119 PolarHBondContact O-N 3.31Å; L119-L121 VanDerWaalsContact C-N 3.33Å; L119-L121 PolarHBondContact O-N 3.42Å; L119-L122 PolarHBondContact O-N 3.28Å; L119-L123 WeakPolarHBondContact O-CB 3.14Å; L119-L123 WeakPolarHBondContact O-CG 3.31Å; L119-L123 PolarHBondContact O-N 3.36Å
120	K	96.5	Very high	90.6	Very high	155 Å²	155	110.1 Å²	110.1	67%	0.674	54%	0.535	S	S	*	.	H	α-helix	trans	-64.3	-38.5	176.9	-77.8	173.5	-177.7	176.8	0	112	N116 Q117 D118 K124	N116-K120 VanDerWaalsContact O-CG 3.3Å; N116-K120 WeakPolarHBondContact O-CG 3.41Å; N116-K120 PolarHBondContact O-N 3.1Å; Q117-K120 WeakPolarHBondContact O-CB 3.35Å; Q117-K120 PolarHBondContact O-N 2.9Å; Q117-K120 VanDerWaalsContact O-N 3.16Å; D118-K120 VanDerWaalsContact C-N 3.32Å; D118-K120 PolarHBondContact O-N 2.96Å; K120-K124 PolarHBondContact O-N 3.13Å; K120-K124 VanDerWaalsContact O-N 3.17Å
121	L	96.7	Very high	91.7	Very high	113 Å²	113	110.9 Å²	110.9	59%	0.592	55%	0.55	S	S	*	*	H	α-helix	trans	-65.8	-46.9	176.3	-72.1	172.3	0	0	0	111.2	Q117 D118 L119 L123 K124 E125	Q117-L121 PolarHBondContact O-N 3.43Å; D118-L121 PolarHBondContact O-N 3.42Å; L119-L121 VanDerWaalsContact C-N 3.33Å; L119-L121 PolarHBondContact O-N 3.42Å; L121-L123 PolarHBondContact O-N 2.84Å; L121-K124 WeakPolarHBondContact O-CB 3.34Å; L121-K124 PolarHBondContact O-N 3.46Å; L121-K124 VanDerWaalsContact O-N 3.12Å; L121-E125 PolarHBondContact O-N 3.19Å
122	L	96.9	Very high	92.7	Very high	93 Å²	93	113.6 Å²	113.6	49%	0.487	55%	0.547	S	S	.	.	H	α-helix	trans	-58	-45.8	176	-87.8	168	0	0	0	112.5	D118 L119 K124 E125 L126	D118-L122 PolarHBondContact O-N 2.82Å; L119-L122 PolarHBondContact O-N 3.28Å; L122-K124 PolarHBondContact O-N 3.21Å; L122-E125 PolarHBondContact O-N 2.91Å; L122-L126 WeakPolarHBondContact O-CG 3.44Å; L122-L126 PolarHBondContact O-N 2.94Å
123	L	96.4	Very high	93.2	Very high	112 Å²	112	115.6 Å²	115.6	59%	0.586	55%	0.554	S	S	*	*	H	α-helix	trans	-63.1	-32.7	177.8	-74	173.6	0	0	0	112.7	L119 L121 R127	L119-L123 WeakPolarHBondContact O-CB 3.14Å; L119-L123 WeakPolarHBondContact O-CG 3.31Å; L119-L123 PolarHBondContact O-N 3.36Å; L121-L123 PolarHBondContact O-N 2.84Å; L123-R127 PolarHBondContact O-N 3.25Å
124	K	96.1	Very high	93.7	Very high	124 Å²	124	116.1 Å²	116.1	54%	0.539	57%	0.565	S	S	.	*	H	α-helix	trans	-69.7	-46.2	175	-177.5	-175.9	170.6	-168.5	0	110.8	K120 L121 L122 L126 R127 E128	K120-K124 PolarHBondContact O-N 3.13Å; K120-K124 VanDerWaalsContact O-N 3.17Å; L121-K124 WeakPolarHBondContact O-CB 3.34Å; L121-K124 PolarHBondContact O-N 3.46Å; L121-K124 VanDerWaalsContact O-N 3.12Å; L122-K124 PolarHBondContact O-N 3.21Å; K124-L126 VanDerWaalsContact C-N 3.35Å; K124-L126 PolarHBondContact O-N 3.03Å; K124-R127 WeakPolarHBondContact O-CB 3.41Å; K124-R127 PolarHBondContact O-N 3.44Å; K124-E128 WeakPolarHBondContact CE-OE1 3.38Å; K124-E128 IonicContact NZ-OE1 3.47Å; K124-E128 PolarHBondContact O-N 2.88Å
125	E	96.5	Very high	94.1	Very high	108 Å²	108	116 Å²	116	51%	0.505	58%	0.578	S	S	.	*	H	α-helix	trans	-59.7	-44.7	177.4	-174.2	176.9	-172.2	0	0	111.5	L121 L122 R127 E128 L129	L121-E125 PolarHBondContact O-N 3.19Å; L122-E125 PolarHBondContact O-N 2.91Å; E125-R127 VanDerWaalsContact C-N 3.3Å; E125-R127 PolarHBondContact O-N 2.84Å; E125-E128 WeakPolarHBondContact O-CB 3.3Å; E125-E128 PolarHBondContact O-N 3.19Å; E125-E128 VanDerWaalsContact O-N 3.09Å; E125-L129 HydrophobicContact CG-CD1 4.33Å; E125-L129 WeakPolarHBondContact O-CG 3.29Å; E125-L129 PolarHBondContact O-N 3.08Å
126	L	96	Very high	94.1	Very high	98 Å²	98	113.1 Å²	113.1	51%	0.513	58%	0.577	S	S	.	*	H	α-helix	trans	-58.2	-41.5	175.5	-73.6	174.2	0	0	0	112.4	L122 K124 E128 L129 D130	L122-L126 WeakPolarHBondContact O-CG 3.44Å; L122-L126 PolarHBondContact O-N 2.94Å; K124-L126 VanDerWaalsContact C-N 3.35Å; K124-L126 PolarHBondContact O-N 3.03Å; L126-E128 VanDerWaalsContact C-N 3.32Å; L126-E128 PolarHBondContact O-N 2.99Å; L126-L129 PolarHBondContact O-N 2.87Å; L126-D130 PolarHBondContact O-N 2.92Å
127	R	94.7	Very high	94.1	Very high	196 Å²	196	113.1 Å²	113.1	74%	0.74	58%	0.58	S	S	*	*	H	α-helix	trans	-66.1	-35	176.6	-169.9	-175.5	-60	179.6	1.1	112.5	L123 K124 E125 L129	L123-R127 PolarHBondContact O-N 3.25Å; K124-R127 WeakPolarHBondContact O-CB 3.41Å; K124-R127 PolarHBondContact O-N 3.44Å; E125-R127 VanDerWaalsContact C-N 3.3Å; E125-R127 PolarHBondContact O-N 2.84Å; R127-L129 VanDerWaalsContact C-N 3.34Å
128	E	94.1	Very high	94.1	Very high	120 Å²	120	115 Å²	115	56%	0.561	59%	0.593	S	S	*	*	H	α-helix	trans	-69.2	-35.4	174.9	-70.6	176.9	-175.4	0	0	111.2	K124 E125 L126 G131 W132	K124-E128 WeakPolarHBondContact CE-OE1 3.38Å; K124-E128 IonicContact NZ-OE1 3.47Å; K124-E128 PolarHBondContact O-N 2.88Å; E125-E128 WeakPolarHBondContact O-CB 3.3Å; E125-E128 PolarHBondContact O-N 3.19Å; E125-E128 VanDerWaalsContact O-N 3.09Å; L126-E128 VanDerWaalsContact C-N 3.32Å; L126-E128 PolarHBondContact O-N 2.99Å; E128-G131 PolarHBondContact O-N 2.83Å; E128-W132 PolarHBondContact O-N 3.12Å
129	L	93.5	Very high	93.9	Very high	98 Å²	98	115.2 Å²	115.2	51%	0.513	60%	0.598	S	S	.	*	H	α-helix	trans	-68.8	-36.3	175.6	-71.4	171.5	0	0	0	113.1	E125 L126 R127 G131 W132	E125-L129 HydrophobicContact CG-CD1 4.33Å; E125-L129 WeakPolarHBondContact O-CG 3.29Å; E125-L129 PolarHBondContact O-N 3.08Å; L126-L129 PolarHBondContact O-N 2.87Å; R127-L129 VanDerWaalsContact C-N 3.34Å; L129-G131 PolarHBondContact O-N 2.94Å; L129-W132 VanDerWaalsContact O-CB 3.25Å; L129-W132 WeakPolarHBondContact O-CB 3.25Å; L129-W132 PolarHBondContact O-N 2.87Å
130	D	94.3	Very high	93.6	Very high	149 Å²	149	117.4 Å²	117.4	80%	0.797	61%	0.606	S	S	*	*	H	α-helix	trans	-59.2	-32.6	175.7	-80.6	-14.6	0	0	0	112.6	L126	L126-D130 PolarHBondContact O-N 2.92Å
131	G	91.2	Very high	93.2	Very high	59 Å²	59	112.4 Å²	112.4	61%	0.608	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-2.4	177.1	0	0	0	0	0	114.3	E128 L129 K133	E128-G131 PolarHBondContact O-N 2.83Å; L129-G131 PolarHBondContact O-N 2.94Å; G131-K133 PolarHBondContact O-N 3.26Å
132	W	95.1	Very high	92.7	Very high	177 Å²	177	112.6 Å²	112.6	67%	0.67	59%	0.589	S	S	*	*			trans	-69.6	129.6	-174	-173.9	89.7	0	0	0	110.7	E128 L129 P134	E128-W132 PolarHBondContact O-N 3.12Å; L129-W132 VanDerWaalsContact O-CB 3.25Å; L129-W132 WeakPolarHBondContact O-CB 3.25Å; L129-W132 PolarHBondContact O-N 2.87Å; W132-P134 HydrophobicContact CH2-CB 4.09Å; W132-P134 HydrophobicContact CZ3-CB 4.24Å
133	K	91	Very high	92.2	Very high	173 Å²	173	112.9 Å²	112.9	75%	0.752	60%	0.599	S	S	*	*			trans	-116.6	143.4	171.9	-66.8	-177	-178.5	179.9	0	108.5	G131	G131-K133 PolarHBondContact O-N 3.26Å
134	P	92.8	Very high	91.5	Very high	96 Å²	96	111.7 Å²	111.7	62%	0.623	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-58.7	151.3	173.6	27.2	-34.7	0	0	0	109.9	W132	W132-P134 HydrophobicContact CH2-CB 4.09Å; W132-P134 HydrophobicContact CZ3-CB 4.24Å
135	A	91.3	Very high	90.9	Very high	86 Å²	86	109.5 Å²	109.5	71%	0.711	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-57.3	138	174.7	0	0	0	0	0	109.8
136	P	90.2	Very high	90	Very high	84 Å²	84	114 Å²	114	55%	0.545	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-60.7	145.8	178.6	25.9	-33.8	0	0	0	110.1	E140 T141	P136-E140 VanDerWaalsContact CA-OE2 3.27Å; P136-E140 WeakPolarHBondContact CA-OE2 3.47Å; P136-E140 HydrophobicContact CB-CB 4.23Å; P136-E140 WeakPolarHBondContact CB-OE2 3.34Å; P136-T141 HydrophobicContact CB-CG2 4.13Å; P136-T141 HydrophobicContact CG-CG2 3.84Å
137	T	91.4	Very high	89.1	Confident	71 Å²	71	117.5 Å²	117.5	44%	0.436	63%	0.626	S	S	.	*	P	Polyproline II helix	trans	-66.6	153.3	178	56.8	0	0	0	0	110.5	T139 E140 T141	T137-T139 PolarHBondContact O-N 2.89Å; T137-T139 VanDerWaalsContact O-N 3.1Å; T137-T139 PolarHBondContact OG1-OG1 2.9Å; T137-E140 PolarHBondContact N-OE2 3.31Å; T137-E140 WeakPolarHBondContact O-CB 3.21Å; T137-E140 PolarHBondContact O-N 3.28Å; T137-E140 VanDerWaalsContact OG1-CD 3.28Å; T137-E140 VanDerWaalsContact OG1-CG 3.29Å; T137-E140 WeakPolarHBondContact OG1-CG 3.34Å; T137-E140 PolarHBondContact OG1-OE2 3.43Å; T137-T141 PolarHBondContact O-N 3.18Å
138	L	91.1	Very high	88	Confident	142 Å²	142	113.4 Å²	113.4	74%	0.743	63%	0.628	S	S	*	*	H	α-helix	trans	-52.7	-37.4	178.2	-73.9	169.9	0	0	0	111.9	T141 I142	L138-T141 WeakPolarHBondContact CA-OG1 3.34Å; L138-T141 PolarHBondContact O-N 3.13Å; L138-T141 PolarHBondContact O-OG1 2.87Å; L138-I142 VanDerWaalsContact O-CG1 3.27Å; L138-I142 WeakPolarHBondContact O-CG1 2.88Å; L138-I142 PolarHBondContact O-N 3.3Å
139	T	90.9	Very high	86.9	Confident	103 Å²	103	119.2 Å²	119.2	63%	0.632	65%	0.645	S	S	*	*	H	α-helix	trans	-62.9	-42.7	176.4	43.3	0	0	0	0	113.4	T137 I142 S143	T137-T139 PolarHBondContact O-N 2.89Å; T137-T139 VanDerWaalsContact O-N 3.1Å; T137-T139 PolarHBondContact OG1-OG1 2.9Å; T139-I142 PolarHBondContact O-N 3.5Å; T139-S143 PolarHBondContact O-N 3.11Å; T139-S143 VanDerWaalsContact O-N 3.09Å; T139-S143 PolarHBondContact O-OG 3.37Å
140	E	88.5	Confident	85.6	Confident	108 Å²	108	127.7 Å²	127.7	51%	0.505	68%	0.678	S	S	.	*	H	α-helix	trans	-64.5	-42.7	174.6	-72	166.3	166.3	0	0	110.8	P136 T137 I142 S143 S144	P136-E140 VanDerWaalsContact CA-OE2 3.27Å; P136-E140 WeakPolarHBondContact CA-OE2 3.47Å; P136-E140 HydrophobicContact CB-CB 4.23Å; P136-E140 WeakPolarHBondContact CB-OE2 3.34Å; T137-E140 PolarHBondContact N-OE2 3.31Å; T137-E140 WeakPolarHBondContact O-CB 3.21Å; T137-E140 PolarHBondContact O-N 3.28Å; T137-E140 VanDerWaalsContact OG1-CD 3.28Å; T137-E140 VanDerWaalsContact OG1-CG 3.29Å; T137-E140 WeakPolarHBondContact OG1-CG 3.34Å; T137-E140 PolarHBondContact OG1-OE2 3.43Å; E140-I142 PolarHBondContact O-N 2.95Å; E140-S143 PolarHBondContact O-N 2.82Å; E140-S143 PolarHBondContact O-OG 3.06Å; E140-S144 PolarHBondContact O-N 3.09Å; E140-S144 VanDerWaalsContact O-N 3.15Å
141	T	88.6	Confident	85.1	Confident	51 Å²	51	126.7 Å²	126.7	31%	0.313	67%	0.672	S	S	.	*	H	α-helix	trans	-61.4	-46.9	178.1	63.2	0	0	0	0	111.5	P136 T137 L138 S143 S144 V145	P136-T141 HydrophobicContact CB-CG2 4.13Å; P136-T141 HydrophobicContact CG-CG2 3.84Å; T137-T141 PolarHBondContact O-N 3.18Å; L138-T141 WeakPolarHBondContact CA-OG1 3.34Å; L138-T141 PolarHBondContact O-N 3.13Å; L138-T141 PolarHBondContact O-OG1 2.87Å; T141-S143 PolarHBondContact O-N 2.96Å; T141-S144 PolarHBondContact O-N 3Å; T141-S144 PolarHBondContact O-OG 3.4Å; T141-V145 WeakPolarHBondContact O-CG2 3.41Å; T141-V145 PolarHBondContact O-N 3.11Å
142	I	87	Confident	84.8	Confident	116 Å²	116	130.2 Å²	130.2	60%	0.595	68%	0.675	S	S	*	*	H	α-helix	trans	-63.4	-42.8	-179	-68	164.2	0	0	0	111.3	L138 T139 E140 S144 V145	L138-I142 VanDerWaalsContact O-CG1 3.27Å; L138-I142 WeakPolarHBondContact O-CG1 2.88Å; L138-I142 PolarHBondContact O-N 3.3Å; T139-I142 PolarHBondContact O-N 3.5Å; E140-I142 PolarHBondContact O-N 2.95Å; I142-S144 VanDerWaalsContact C-N 3.29Å; I142-S144 PolarHBondContact O-N 2.96Å; I142-V145 PolarHBondContact O-N 3.46Å
143	S	84.7	Confident	84.2	Confident	99 Å²	99	127.6 Å²	127.6	69%	0.692	68%	0.675	S	S	*	*	H	α-helix	trans	-67	-27.9	179.9	61.3	0	0	0	0	113.7	T139 E140 T141	T139-S143 PolarHBondContact O-N 3.11Å; T139-S143 VanDerWaalsContact O-N 3.09Å; T139-S143 PolarHBondContact O-OG 3.37Å; E140-S143 PolarHBondContact O-N 2.82Å; E140-S143 PolarHBondContact O-OG 3.06Å; T141-S143 PolarHBondContact O-N 2.96Å
144	S	83.2	Confident	83.9	Confident	88 Å²	88	124.9 Å²	124.9	62%	0.615	67%	0.671	S	S	*	*	H	α-helix	trans	-75.1	-23.7	178	76	0	0	0	0	114	E140 T141 I142 K146	E140-S144 PolarHBondContact O-N 3.09Å; E140-S144 VanDerWaalsContact O-N 3.15Å; T141-S144 PolarHBondContact O-N 3Å; T141-S144 PolarHBondContact O-OG 3.4Å; I142-S144 VanDerWaalsContact C-N 3.29Å; I142-S144 PolarHBondContact O-N 2.96Å; S144-K146 PolarHBondContact O-N 3.15Å; S144-K146 VanDerWaalsContact O-N 3.15Å
145	V	83.2	Confident	83.3	Confident	78 Å²	78	126.8 Å²	126.8	47%	0.473	67%	0.674	S	S	.	*			trans	-77.4	104.5	-177.2	-178.8	0	0	0	0	109.8	T141 I142 F147	T141-V145 WeakPolarHBondContact O-CG2 3.41Å; T141-V145 PolarHBondContact O-N 3.11Å; I142-V145 PolarHBondContact O-N 3.46Å; V145-F147 HydrophobicContact CB-CE2 4.41Å; V145-F147 HydrophobicContact CG1-CD1 4.5Å; V145-F147 HydrophobicContact CG1-CD2 4.39Å; V145-F147 HydrophobicContact CG1-CE1 4.22Å; V145-F147 HydrophobicContact CG1-CE2 4.1Å; V145-F147 HydrophobicContact CG1-CZ 4.01Å; V145-F147 PolarHBondContact O-N 3.37Å
146	K	77.5	Confident	82.8	Confident	203 Å²	203	129.5 Å²	129.5	88%	0.883	67%	0.671	S	S	*	*			trans	-76.4	103.9	167.8	-68.1	-172.6	-178.1	-178.9	0	109.3	S144 S148	S144-K146 PolarHBondContact O-N 3.15Å; S144-K146 VanDerWaalsContact O-N 3.15Å; K146-S148 PolarHBondContact O-N 3.09Å; K146-S148 VanDerWaalsContact O-N 3.12Å
147	F	76.8	Confident	82.2	Confident	170 Å²	170	132.7 Å²	132.7	75%	0.746	68%	0.68	S	S	*	*			trans	-67.6	108.5	168.8	-67.4	-81.6	0	0	0	109.2	V145 R149	V145-F147 HydrophobicContact CB-CE2 4.41Å; V145-F147 HydrophobicContact CG1-CD1 4.5Å; V145-F147 HydrophobicContact CG1-CD2 4.39Å; V145-F147 HydrophobicContact CG1-CE1 4.22Å; V145-F147 HydrophobicContact CG1-CE2 4.1Å; V145-F147 HydrophobicContact CG1-CZ 4.01Å; V145-F147 PolarHBondContact O-N 3.37Å; F147-R149 PolarHBondContact O-N 3.11Å
148	S	72.6	Confident	81.5	Confident	111 Å²	111	137.5 Å²	137.5	78%	0.776	70%	0.699	S	S	*	*			trans	-64.9	114.9	168.1	-171.9	0	0	0	0	108	K146 K150	K146-S148 PolarHBondContact O-N 3.09Å; K146-S148 VanDerWaalsContact O-N 3.12Å; S148-K150 PolarHBondContact O-N 2.9Å
149	R	70.9	Confident	80.7	Confident	241 Å²	241	137.1 Å²	137.1	91%	0.909	70%	0.695	S	S	*	*			trans	-64.3	123.3	167.8	-73.4	-176.6	177.9	178.5	-0.8	107.5	F147	F147-R149 PolarHBondContact O-N 3.11Å
150	K	65.1	Low	79.8	Confident	277 Å²	277	140.2 Å²	140.2	100%	1.204	70%	0.701	S	S	*	*			trans	-75.7	0	166	-79.3	-173.9	176.7	-178.8	0	109.8	S148	S148-K150 PolarHBondContact O-N 2.9Å

Retrieved 150 of 150 residues in 85.8 ms (Link to these results)

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