A0A077ZLJ4_TRITR Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZLJ4, Species TRITR (Trichuris trichiura, Whipworm), 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	56.8	Low	84.5	Confident	218 Å²	218	93.6 Å²	93.6	100%	1.074	48%	0.477	S	S	*	.				0	127.4	0	-69.8	-173.8	-165.3	0	0	109.3	F3	M1-F3 HydrophobicContact CB-CE2 4.4Å
2	L	70.1	Confident	84.6	Confident	156 Å²	156	86.9 Å²	86.9	82%	0.817	44%	0.444	S	S	*	.			trans	-92.7	115.8	173.8	-71.5	166.7	0	0	0	109.2
3	F	83.6	Confident	84.6	Confident	56 Å²	56	84 Å²	84	25%	0.246	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	132.8	170.6	-74.5	-91.7	0	0	0	109.2	M1 S11 C12 L17 L56	M1-F3 HydrophobicContact CB-CE2 4.4Å; F3-S11 CarbonylContact O-C 3.54Å; F3-S11 WeakPolarHBondContact O-CA 3.44Å; F3-C12 HydrophobicContact CB-CB 4.15Å; F3-C12 PolarHBondContact O-N 2.74Å; F3-L17 HydrophobicContact CB-CD1 3.82Å; F3-L17 HydrophobicContact CB-CD2 4.18Å; F3-L17 HydrophobicContact CD1-CD1 4.1Å; F3-L17 HydrophobicContact CD1-CD2 3.74Å; F3-L17 HydrophobicContact CD2-CD2 3.68Å; F3-L17 HydrophobicContact CE1-CD2 3.99Å; F3-L17 HydrophobicContact CE2-CD2 3.94Å; F3-L17 HydrophobicContact CG-CD1 4.01Å; F3-L17 HydrophobicContact CG-CD2 3.57Å; F3-L17 HydrophobicContact CG-CG 4.46Å; F3-L17 HydrophobicContact CZ-CD2 4.08Å; F3-L56 HydrophobicContact CD2-CD1 4.4Å; F3-L56 HydrophobicContact CE2-CD1 3.51Å; F3-L56 HydrophobicContact CZ-CD1 4.1Å
4	V	89.6	Confident	84.4	Confident	83 Å²	83	83.6 Å²	83.6	50%	0.503	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	128.5	176.2	179.1	0	0	0	0	109	V6 R9	V4-V6 PolarHBondContact O-N 3.08Å; V4-R9 WeakPolarHBondContact CG1-O 3.25Å
5	C	90.8	Very high	84.4	Confident	1 Å²	1	86.6 Å²	86.6	1%	0.007	45%	0.445	C	S	.	.			trans	-65.7	125.4	178.2	179.5	0	0	0	0	111.2	F7 C8 R9 N10 C12 F26 H27	C5-F7 PolarHBondContact O-N 2.86Å; C5-F7 VanDerWaalsContact O-N 3.16Å; C5-F7 PolarHBondContact SG-N 3.21Å; C5-F7 VanDerWaalsContact SG-N 3.44Å; C5-C8 VanDerWaalsContact CB-SG 3.5Å; C5-R9 WeakPolarHBondContact O-CA 3.44Å; C5-R9 PolarHBondContact O-N 2.99Å; C5-N10 PolarHBondContact N-O 2.92Å; C5-C12 VanDerWaalsContact CB-SG 3.55Å; C5-F26 VanDerWaalsContact SG-CA 3.59Å; C5-H27 VanDerWaalsContact CB-CE1 3.41Å; C5-H27 WeakPolarHBondContact CB-CE1 3.47Å; C5-H27 WeakPolarHBondContact CB-ND1 3.29Å; C5-H27 PolarHBondContact SG-N 2.94Å; C5-H27 VanDerWaalsContact SG-N 3.44Å; C5-H27 PolarHBondContact SG-ND1 3.01Å
6	V	89.9	Confident	84.6	Confident	22 Å²	22	86.9 Å²	86.9	13%	0.133	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-14.1	178.5	-65.4	0	0	0	0	114.5	V4 L20 H24 G25 F26 P39 K40	V4-V6 PolarHBondContact O-N 3.08Å; V6-L20 HydrophobicContact CG2-CD1 4.44Å; V6-H24 HydrophobicContact CG1-CB 3.76Å; V6-G25 PolarHBondContact N-O 3.19Å; V6-F26 HydrophobicContact CG2-CB 4.29Å; V6-P39 HydrophobicContact CG2-CG 4.35Å; V6-K40 HydrophobicContact CG1-CB 4.08Å; V6-K40 HydrophobicContact CG1-CD 4.17Å
7	F	88.7	Confident	84.8	Confident	48 Å²	48	81.8 Å²	81.8	21%	0.211	42%	0.418	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-53.3	179.8	-64.8	-70.4	0	0	0	112.8	C5 F26 C30 T32 P39 F45	C5-F7 PolarHBondContact O-N 2.86Å; C5-F7 VanDerWaalsContact O-N 3.16Å; C5-F7 PolarHBondContact SG-N 3.21Å; C5-F7 VanDerWaalsContact SG-N 3.44Å; F7-F26 HydrophobicContact CD2-CB 3.57Å; F7-F26 HydrophobicContact CD2-CD2 4.03Å; F7-F26 AromaticContact CD2-CG 3.96Å; F7-F26 HydrophobicContact CD2-CG 3.96Å; F7-F26 HydrophobicContact CE2-CB 3.82Å; F7-F26 HydrophobicContact CE2-CD1 4.32Å; F7-F26 AromaticContact CE2-CD2 3.8Å; F7-F26 HydrophobicContact CE2-CD2 3.8Å; F7-F26 HydrophobicContact CE2-CE2 4.46Å; F7-F26 AromaticContact CE2-CG 3.74Å; F7-F26 HydrophobicContact CE2-CG 3.74Å; F7-C30 HydrophobicContact CB-CB 4.11Å; F7-C30 HydrophobicContact CD2-CB 4.3Å; F7-T32 HydrophobicContact CD1-CG2 4.06Å; F7-T32 HydrophobicContact CE1-CG2 4.25Å; F7-T32 HydrophobicContact CG-CG2 4.47Å; F7-P39 HydrophobicContact CD1-CG 3.49Å; F7-P39 VanDerWaalsContact CD1-CG 3.49Å; F7-P39 HydrophobicContact CE1-CG 3.4Å; F7-P39 VanDerWaalsContact CE1-CG 3.4Å; F7-P39 HydrophobicContact CG-CG 4.39Å; F7-P39 HydrophobicContact CZ-CG 4.23Å; F7-F45 HydrophobicContact CZ-CZ 4.5Å
8	C	90.2	Very high	85.1	Confident	49 Å²	49	77.4 Å²	77.4	33%	0.331	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.3	-11	-176.9	69.5	0	0	0	0	114	C5 N10 H27 C30	C5-C8 VanDerWaalsContact CB-SG 3.5Å; C8-N10 PolarHBondContact O-N 3.01Å; C8-N10 PolarHBondContact SG-N 2.99Å; C8-H27 PolarHBondContact SG-CE1 3.28Å; C8-H27 PolarHBondContact SG-ND1 3.06Å; C8-C30 VanDerWaalsContact SG-SG 3.66Å
9	R	89.2	Confident	85.4	Confident	211 Å²	211	75.3 Å²	75.3	80%	0.796	39%	0.385	S	S	*	.			trans	63.8	11.8	-177.2	-53	-177.9	177.4	-173.9	-0.9	115.6	V4 C5	V4-R9 WeakPolarHBondContact CG1-O 3.25Å; C5-R9 WeakPolarHBondContact O-CA 3.44Å; C5-R9 PolarHBondContact O-N 2.99Å
10	N	90.3	Very high	85.6	Confident	105 Å²	105	71.7 Å²	71.7	56%	0.561	37%	0.367	S	S	*	.	S	Bend	trans	-85.6	160.8	170.6	-63	-20.8	0	0	0	111.2	C5 C8	C5-N10 PolarHBondContact N-O 2.92Å; C8-N10 PolarHBondContact O-N 3.01Å; C8-N10 PolarHBondContact SG-N 2.99Å
11	S	90	Very high	85.6	Confident	81 Å²	81	77.9 Å²	77.9	57%	0.566	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	137.4	172.8	48.4	0	0	0	0	111.3	F3 H27	F3-S11 CarbonylContact O-C 3.54Å; F3-S11 WeakPolarHBondContact O-CA 3.44Å; S11-H27 PolarHBondContact O-CE1 3.44Å; S11-H27 PolarHBondContact O-NE2 3.21Å
12	C	86	Confident	87.1	Confident	13 Å²	13	69.2 Å²	69.2	9%	0.088	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	125.6	173	-61.9	0	0	0	0	109.9	F3 C5 L17 H27	F3-C12 HydrophobicContact CB-CB 4.15Å; F3-C12 PolarHBondContact O-N 2.74Å; C5-C12 VanDerWaalsContact CB-SG 3.55Å; C12-L17 HydrophobicContact CB-CB 4.48Å; C12-L17 HydrophobicContact CB-CD1 3.96Å; C12-H27 WeakPolarHBondContact CA-NE2 3.47Å
13	A	84.7	Confident	88	Confident	49 Å²	49	64.1 Å²	64.1	41%	0.405	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-64.1	151.1	160.1	0	0	0	0	0	109.7	E15 E16 L17	A13-E15 PolarHBondContact O-N 2.86Å; A13-E16 PolarHBondContact O-N 2.96Å; A13-E16 VanDerWaalsContact O-N 3.11Å; A13-L17 PolarHBondContact O-N 3.28Å; A13-L17 VanDerWaalsContact O-N 3.08Å
14	K	82.4	Confident	88.3	Confident	78 Å²	78	63.4 Å²	63.4	34%	0.339	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-59.5	-37.5	-177.9	179.6	-179.1	170.6	-177.3	0	111.3	E16 L17 L56	K14-E16 PolarHBondContact O-N 3.18Å; K14-L17 PolarHBondContact O-N 2.66Å; K14-L56 HydrophobicContact CD-CB 4.37Å; K14-L56 HydrophobicContact CG-CD1 4.43Å; K14-L56 PolarHBondContact NZ-O 3.13Å
15	E	84	Confident	88.3	Confident	129 Å²	129	59.8 Å²	59.8	60%	0.603	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-65.9	-29.9	-179	-60.7	68.6	-145.8	0	0	111.7	A13 R28	A13-E15 PolarHBondContact O-N 2.86Å; E15-R28 PolarHBondContact O-NH1 2.85Å; E15-R28 PolarHBondContact O-NH2 2.89Å
16	E	86.7	Confident	88.3	Confident	92 Å²	92	59.9 Å²	59.9	43%	0.43	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-97.5	-5	179.7	-62.6	-162.9	154.5	0	0	113.5	A13 K14 S18 H27 R28	A13-E16 PolarHBondContact O-N 2.96Å; A13-E16 VanDerWaalsContact O-N 3.11Å; K14-E16 PolarHBondContact O-N 3.18Å; E16-S18 PolarHBondContact O-N 3.36Å; E16-H27 CarbonylContact O-C 3.4Å; E16-H27 WeakPolarHBondContact O-CA 3.39Å; E16-H27 IonicContact OE2-CD2 2.62Å; E16-H27 PolarHBondContact OE2-CD2 3.11Å; E16-R28 PolarHBondContact O-N 2.92Å
17	L	89.6	Confident	88.3	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	127	-176	-176	65.4	0	0	0	111.5	F3 C12 A13 K14 V54	F3-L17 HydrophobicContact CB-CD1 3.82Å; F3-L17 HydrophobicContact CB-CD2 4.18Å; F3-L17 HydrophobicContact CD1-CD1 4.1Å; F3-L17 HydrophobicContact CD1-CD2 3.74Å; F3-L17 HydrophobicContact CD2-CD2 3.68Å; F3-L17 HydrophobicContact CE1-CD2 3.99Å; F3-L17 HydrophobicContact CE2-CD2 3.94Å; F3-L17 HydrophobicContact CG-CD1 4.01Å; F3-L17 HydrophobicContact CG-CD2 3.57Å; F3-L17 HydrophobicContact CG-CG 4.46Å; F3-L17 HydrophobicContact CZ-CD2 4.08Å; C12-L17 HydrophobicContact CB-CB 4.48Å; C12-L17 HydrophobicContact CB-CD1 3.96Å; A13-L17 PolarHBondContact O-N 3.28Å; A13-L17 VanDerWaalsContact O-N 3.08Å; K14-L17 PolarHBondContact O-N 2.66Å; L17-V54 HydrophobicContact CD2-CB 4.27Å; L17-V54 HydrophobicContact CD2-CG1 4.49Å; L17-V54 HydrophobicContact CD2-CG2 4.19Å; L17-V54 HydrophobicContact CG-CG2 4.14Å
18	S	90.1	Very high	88.2	Confident	3 Å²	3	62 Å²	62	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	152.5	164	-65	0	0	0	0	110.2	E16 G25 F26 R28 V51 E52	E16-S18 PolarHBondContact O-N 3.36Å; S18-G25 CarbonylContact O-C 3.56Å; S18-G25 VanDerWaalsContact O-CA 3.25Å; S18-G25 WeakPolarHBondContact O-CA 3.45Å; S18-F26 PolarHBondContact N-O 3.44Å; S18-F26 WeakPolarHBondContact O-CD1 3.23Å; S18-F26 PolarHBondContact O-N 3.5Å; S18-R28 WeakPolarHBondContact OG-CG 3.39Å; S18-V51 CarbonylContact C-O 3.47Å; S18-V51 VanDerWaalsContact CA-O 3.22Å; S18-V51 WeakPolarHBondContact CA-O 3.26Å; S18-V51 WeakPolarHBondContact CB-O 3.39Å; S18-E52 WeakPolarHBondContact OG-CA 3.5Å; S18-E52 PolarHBondContact OG-O 3.34Å
19	L	89.9	Confident	88.1	Confident	37 Å²	37	64.2 Å²	64.2	19%	0.194	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.7	178.8	-64.2	167.8	0	0	0	111	G23 V51 V54	L19-G23 WeakPolarHBondContact CD2-O 3.2Å; L19-V51 HydrophobicContact CB-CB 4.31Å; L19-V51 PolarHBondContact N-O 3.49Å; L19-V51 PolarHBondContact O-N 2.94Å; L19-V54 HydrophobicContact CD1-CB 4.48Å; L19-V54 HydrophobicContact CD1-CG1 4.07Å; L19-V54 HydrophobicContact CD1-CG2 3.52Å; L19-V54 HydrophobicContact CG-CG2 3.63Å
20	L	88.7	Confident	88	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.016	30%	0.301	C	S	.	.			trans	-74.3	158.5	162.3	-61	177.9	0	0	0	109.5	V6 C22 G23 H24 F26 C38 F45 V50	V6-L20 HydrophobicContact CG2-CD1 4.44Å; L20-C22 VanDerWaalsContact CB-SG 3.58Å; L20-C22 PolarHBondContact O-N 3.32Å; L20-G23 PolarHBondContact O-N 2.7Å; L20-H24 HydrophobicContact CD1-CB 4.42Å; L20-H24 PolarHBondContact N-O 2.98Å; L20-F26 HydrophobicContact CD2-CD1 4.18Å; L20-F26 HydrophobicContact CD2-CE1 3.6Å; L20-F26 HydrophobicContact CD2-CZ 4.24Å; L20-F26 HydrophobicContact CG-CD1 4.02Å; L20-F26 HydrophobicContact CG-CE1 3.87Å; L20-C38 HydrophobicContact CD1-CB 3.72Å; L20-F45 HydrophobicContact CD1-CD1 4.27Å; L20-F45 HydrophobicContact CD1-CE1 4.25Å; L20-F45 HydrophobicContact CD2-CD1 3.87Å; L20-F45 HydrophobicContact CD2-CD2 3.72Å; L20-F45 HydrophobicContact CD2-CE1 3.88Å; L20-F45 HydrophobicContact CD2-CE2 3.74Å; L20-F45 HydrophobicContact CD2-CG 3.79Å; L20-F45 HydrophobicContact CD2-CZ 3.82Å; L20-V50 HydrophobicContact CD2-CG2 4.28Å
21	R	86.1	Confident	87.3	Confident	202 Å²	202	55.8 Å²	55.8	76%	0.762	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-22.7	173.5	-80.5	-163.1	167.4	179.4	5.8	114.5	G23 S49	R21-G23 PolarHBondContact O-N 2.87Å; R21-S49 WeakPolarHBondContact CG-O 3.28Å
22	C	88.7	Confident	86.2	Confident	35 Å²	35	54.6 Å²	54.6	24%	0.236	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	2.6	174.6	60.4	0	0	0	0	113.9	L20 H24 C41 R43	L20-C22 VanDerWaalsContact CB-SG 3.58Å; L20-C22 PolarHBondContact O-N 3.32Å; C22-H24 VanDerWaalsContact C-N 3.3Å; C22-H24 PolarHBondContact O-N 3.36Å; C22-H24 PolarHBondContact SG-ND1 3.22Å; C22-H24 VanDerWaalsContact SG-ND1 3.39Å; C22-C41 VanDerWaalsContact SG-SG 3.62Å; C22-R43 HydrophobicContact CB-CB 4.33Å
23	G	88.6	Confident	85.1	Confident	50 Å²	50	66 Å²	66	52%	0.515	32%	0.324	S	S	.	.	S	Bend	trans	83.9	-2.5	-178.1	0	0	0	0	0	114.5	L19 L20 R21	L19-G23 WeakPolarHBondContact CD2-O 3.2Å; L20-G23 PolarHBondContact O-N 2.7Å; R21-G23 PolarHBondContact O-N 2.87Å
24	H	90.7	Very high	84.1	Confident	41 Å²	41	75.1 Å²	75.1	19%	0.19	35%	0.348	C	S	.	.			trans	-80.7	129.3	179.6	-72.4	129.5	0	0	0	112.6	V6 L20 C22 C38 K40	V6-H24 HydrophobicContact CG1-CB 3.76Å; L20-H24 HydrophobicContact CD1-CB 4.42Å; L20-H24 PolarHBondContact N-O 2.98Å; C22-H24 VanDerWaalsContact C-N 3.3Å; C22-H24 PolarHBondContact O-N 3.36Å; C22-H24 PolarHBondContact SG-ND1 3.22Å; C22-H24 VanDerWaalsContact SG-ND1 3.39Å; H24-C38 PolarHBondContact ND1-SG 3.08Å; H24-K40 VanDerWaalsContact NE2-CD 3.32Å; H24-K40 WeakPolarHBondContact NE2-CD 3.47Å; H24-K40 WeakPolarHBondContact NE2-CE 3.48Å
25	G	89.9	Confident	83.4	Confident	6 Å²	6	78.3 Å²	78.3	6%	0.062	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	151.9	-177.3	0	0	0	0	0	115.1	V6 S18	V6-G25 PolarHBondContact N-O 3.19Å; S18-G25 CarbonylContact O-C 3.56Å; S18-G25 VanDerWaalsContact O-CA 3.25Å; S18-G25 WeakPolarHBondContact O-CA 3.45Å
26	F	90.2	Very high	83.1	Confident	4 Å²	4	77 Å²	77	2%	0.018	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	158.8	174.2	64.2	-74.5	0	0	0	111.8	C5 V6 F7 S18 L20 R31 V50	C5-F26 VanDerWaalsContact SG-CA 3.59Å; V6-F26 HydrophobicContact CG2-CB 4.29Å; F7-F26 HydrophobicContact CD2-CB 3.57Å; F7-F26 HydrophobicContact CD2-CD2 4.03Å; F7-F26 AromaticContact CD2-CG 3.96Å; F7-F26 HydrophobicContact CD2-CG 3.96Å; F7-F26 HydrophobicContact CE2-CB 3.82Å; F7-F26 HydrophobicContact CE2-CD1 4.32Å; F7-F26 AromaticContact CE2-CD2 3.8Å; F7-F26 HydrophobicContact CE2-CD2 3.8Å; F7-F26 HydrophobicContact CE2-CE2 4.46Å; F7-F26 AromaticContact CE2-CG 3.74Å; F7-F26 HydrophobicContact CE2-CG 3.74Å; S18-F26 PolarHBondContact N-O 3.44Å; S18-F26 WeakPolarHBondContact O-CD1 3.23Å; S18-F26 PolarHBondContact O-N 3.5Å; L20-F26 HydrophobicContact CD2-CD1 4.18Å; L20-F26 HydrophobicContact CD2-CE1 3.6Å; L20-F26 HydrophobicContact CD2-CZ 4.24Å; L20-F26 HydrophobicContact CG-CD1 4.02Å; L20-F26 HydrophobicContact CG-CE1 3.87Å; F26-R31 HydrophobicContact CE2-CB 4.19Å; F26-V50 HydrophobicContact CE1-CG1 3.98Å; F26-V50 HydrophobicContact CZ-CB 4.48Å; F26-V50 HydrophobicContact CZ-CG1 3.5Å; F26-V50 HydrophobicContact CZ-CG2 4.11Å
27	H	90.4	Very high	83.2	Confident	13 Å²	13	75.6 Å²	75.6	6%	0.06	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	139.4	170.1	-55.7	97.2	0	0	0	110.2	C5 C8 S11 C12 E16 S29 C30	C5-H27 VanDerWaalsContact CB-CE1 3.41Å; C5-H27 WeakPolarHBondContact CB-CE1 3.47Å; C5-H27 WeakPolarHBondContact CB-ND1 3.29Å; C5-H27 PolarHBondContact SG-N 2.94Å; C5-H27 VanDerWaalsContact SG-N 3.44Å; C5-H27 PolarHBondContact SG-ND1 3.01Å; C8-H27 PolarHBondContact SG-CE1 3.28Å; C8-H27 PolarHBondContact SG-ND1 3.06Å; S11-H27 PolarHBondContact O-CE1 3.44Å; S11-H27 PolarHBondContact O-NE2 3.21Å; C12-H27 WeakPolarHBondContact CA-NE2 3.47Å; E16-H27 CarbonylContact O-C 3.4Å; E16-H27 WeakPolarHBondContact O-CA 3.39Å; E16-H27 IonicContact OE2-CD2 2.62Å; E16-H27 PolarHBondContact OE2-CD2 3.11Å; H27-S29 WeakPolarHBondContact CB-OG 3.14Å; H27-S29 PolarHBondContact O-N 2.94Å; H27-C30 HydrophobicContact CB-CB 3.93Å; H27-C30 WeakPolarHBondContact O-CA 3.45Å; H27-C30 WeakPolarHBondContact O-CB 3.32Å; H27-C30 PolarHBondContact O-N 3.17Å
28	R	86.5	Confident	83	Confident	102 Å²	102	75.9 Å²	75.9	39%	0.385	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-50.9	-39.4	169.7	-77.2	-178.5	-167	145.5	24.3	112.4	E15 E16 S18 C30 R31 E52	E15-R28 PolarHBondContact O-NH1 2.85Å; E15-R28 PolarHBondContact O-NH2 2.89Å; E16-R28 PolarHBondContact O-N 2.92Å; S18-R28 WeakPolarHBondContact OG-CG 3.39Å; R28-C30 VanDerWaalsContact C-N 3.34Å; R28-R31 WeakPolarHBondContact O-CB 3.11Å; R28-R31 PolarHBondContact O-N 2.9Å; R28-E52 PolarHBondContact NE-O 3.45Å; R28-E52 PolarHBondContact NH2-O 2.78Å; R28-E52 VanDerWaalsContact NH2-O 3.13Å
29	S	87.1	Confident	82.9	Confident	95 Å²	95	79.4 Å²	79.4	66%	0.664	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-67.9	-31.3	176.8	57.2	0	0	0	0	113.1	H27 R31	H27-S29 WeakPolarHBondContact CB-OG 3.14Å; H27-S29 PolarHBondContact O-N 2.94Å; S29-R31 PolarHBondContact O-N 2.9Å; S29-R31 VanDerWaalsContact O-N 3.17Å
30	C	87.4	Confident	82.8	Confident	29 Å²	29	84.7 Å²	84.7	20%	0.196	40%	0.402	C	S	.	.	G	3₁₀ helix	trans	-77.1	8.6	175.9	-71.7	0	0	0	0	113.4	F7 C8 H27 R28 T32	F7-C30 HydrophobicContact CB-CB 4.11Å; F7-C30 HydrophobicContact CD2-CB 4.3Å; C8-C30 VanDerWaalsContact SG-SG 3.66Å; H27-C30 HydrophobicContact CB-CB 3.93Å; H27-C30 WeakPolarHBondContact O-CA 3.45Å; H27-C30 WeakPolarHBondContact O-CB 3.32Å; H27-C30 PolarHBondContact O-N 3.17Å; R28-C30 VanDerWaalsContact C-N 3.34Å; C30-T32 PolarHBondContact O-N 3.29Å
31	R	75.4	Confident	82.8	Confident	110 Å²	110	85.7 Å²	85.7	42%	0.415	41%	0.41	S	S	.	.			trans	-59.3	101.6	176.3	-177.9	178.9	-178.1	163.1	6.3	110.1	F26 R28 S29 R33 E52	F26-R31 HydrophobicContact CE2-CB 4.19Å; R28-R31 WeakPolarHBondContact O-CB 3.11Å; R28-R31 PolarHBondContact O-N 2.9Å; S29-R31 PolarHBondContact O-N 2.9Å; S29-R31 VanDerWaalsContact O-N 3.17Å; R31-R33 PolarHBondContact O-N 3.44Å; R31-E52 IonicContact CZ-OE1 3.34Å; R31-E52 IonicContact NH1-OE1 2.87Å; R31-E52 PolarHBondContact NH1-OE1 2.81Å; R31-E52 IonicContact NH2-OE1 3.65Å
32	T	67.4	Low	82.8	Confident	56 Å²	56	82 Å²	82	34%	0.344	41%	0.412	S	S	.	.			trans	-78.6	120.5	176.1	59.6	0	0	0	0	110	F7 C30 R34	F7-T32 HydrophobicContact CD1-CG2 4.06Å; F7-T32 HydrophobicContact CE1-CG2 4.25Å; F7-T32 HydrophobicContact CG-CG2 4.47Å; C30-T32 PolarHBondContact O-N 3.29Å; T32-R34 PolarHBondContact O-N 2.86Å
33	R	63.7	Low	82.7	Confident	251 Å²	251	88.6 Å²	88.6	95%	0.947	43%	0.431	S	S	*	.	S	Bend	trans	-68.7	-6.7	173.7	-70.2	-170.1	179.4	-161.1	1.2	113.6	R31	R31-R33 PolarHBondContact O-N 3.44Å
34	R	62.8	Low	82.5	Confident	242 Å²	242	94.8 Å²	94.8	91%	0.913	44%	0.444	S	S	*	.	S	Bend	trans	-117.5	-11.5	-162.8	-65.5	-172.1	177.9	-178.7	0	115.9	T32	T32-R34 PolarHBondContact O-N 2.86Å
35	K	68.3	Low	82	Confident	144 Å²	144	94.1 Å²	94.1	63%	0.626	44%	0.441	S	S	*	.			trans	-123.5	113.8	-178.5	-68.1	-173.2	179.3	-178.3	0	110.6	T37 F45	K35-T37 PolarHBondContact O-N 3.26Å; K35-F45 WeakPolarHBondContact O-CE1 3.36Å; K35-F45 WeakPolarHBondContact O-CZ 3.17Å
36	L	78	Confident	81.5	Confident	103 Å²	103	98.4 Å²	98.4	54%	0.539	46%	0.459	S	S	.	.			trans	-87.2	20.7	176.3	-64.2	173.5	0	0	0	112.3	K44 F45	L36-K44 CarbonylContact O-C 3.54Å; L36-K44 WeakPolarHBondContact O-CA 3.44Å; L36-K44 WeakPolarHBondContact O-CB 3.42Å; L36-F45 WeakPolarHBondContact CD2-O 3.34Å; L36-F45 PolarHBondContact O-N 3.47Å
37	T	86.8	Confident	80.9	Confident	61 Å²	61	104 Å²	104	37%	0.374	48%	0.481	S	S	.	.	B	Isolated β-bridge	trans	-133.4	137.1	-177.4	-31	0	0	0	0	109.8	K35 K44	K35-T37 PolarHBondContact O-N 3.26Å; T37-K44 HydrophobicContact CG2-CG 4.43Å
38	C	87.3	Confident	80.4	Confident	7 Å²	7	111 Å²	111	5%	0.047	51%	0.511	C	S	.	.			trans	-64.4	134	175.9	178.9	0	0	0	0	110.2	L20 H24 K40 C41 R43	L20-C38 HydrophobicContact CD1-CB 3.72Å; H24-C38 PolarHBondContact ND1-SG 3.08Å; C38-K40 PolarHBondContact O-N 2.98Å; C38-K40 PolarHBondContact SG-N 3.29Å; C38-K40 VanDerWaalsContact SG-N 3.4Å; C38-C41 CarbonylContact C-O 3.52Å; C38-C41 WeakPolarHBondContact CB-O 3.41Å; C38-R43 PolarHBondContact N-O 3.44Å; C38-R43 VanDerWaalsContact N-O 3.08Å
39	P	86.2	Confident	80.1	Confident	76 Å²	76	107 Å²	107	49%	0.494	50%	0.498	S	S	.	.	S	Bend	trans	-65.6	-21.5	175.5	-22.5	33.1	0	0	0	114.1	V6 F7	V6-P39 HydrophobicContact CG2-CG 4.35Å; F7-P39 HydrophobicContact CD1-CG 3.49Å; F7-P39 VanDerWaalsContact CD1-CG 3.49Å; F7-P39 HydrophobicContact CE1-CG 3.4Å; F7-P39 VanDerWaalsContact CE1-CG 3.4Å; F7-P39 HydrophobicContact CG-CG 4.39Å; F7-P39 HydrophobicContact CZ-CG 4.23Å
40	K	88.1	Confident	80	Confident	148 Å²	148	103.4 Å²	103.4	64%	0.643	47%	0.473	S	S	*	.	S	Bend	trans	-99.4	-20.4	-175	-170.4	167.3	169.2	-167.7	0	113.4	V6 H24 C38	V6-K40 HydrophobicContact CG1-CB 4.08Å; V6-K40 HydrophobicContact CG1-CD 4.17Å; H24-K40 VanDerWaalsContact NE2-CD 3.32Å; H24-K40 WeakPolarHBondContact NE2-CD 3.47Å; H24-K40 WeakPolarHBondContact NE2-CE 3.48Å; C38-K40 PolarHBondContact O-N 2.98Å; C38-K40 PolarHBondContact SG-N 3.29Å; C38-K40 VanDerWaalsContact SG-N 3.4Å
41	C	89.5	Confident	79.9	Confident	25 Å²	25	105.5 Å²	105.5	17%	0.169	49%	0.485	C	S	.	.	S	Bend	trans	-145.2	151.7	174.8	68.3	0	0	0	0	110.9	C22 C38 R43	C22-C41 VanDerWaalsContact SG-SG 3.62Å; C38-C41 CarbonylContact C-O 3.52Å; C38-C41 WeakPolarHBondContact CB-O 3.41Å; C41-R43 PolarHBondContact O-N 2.79Å
42	P	85.1	Confident	80.3	Confident	124 Å²	124	105 Å²	105	81%	0.805	49%	0.487	S	S	*	.	S	Bend	trans	-70.9	8.9	-175.6	30	-36.4	0	0	0	114	K44	P42-K44 PolarHBondContact O-N 3.34Å
43	R	86.7	Confident	80.9	Confident	173 Å²	173	108.3 Å²	108.3	65%	0.653	50%	0.496	S	S	*	.			trans	-71.2	125.3	179.9	-68.3	-171.3	-178.7	-149	2.7	110.4	C22 C38 C41	C22-R43 HydrophobicContact CB-CB 4.33Å; C38-R43 PolarHBondContact N-O 3.44Å; C38-R43 VanDerWaalsContact N-O 3.08Å; C41-R43 PolarHBondContact O-N 2.79Å
44	K	85.6	Confident	81.7	Confident	181 Å²	181	97.2 Å²	97.2	79%	0.787	46%	0.457	S	S	*	.	B	Isolated β-bridge	trans	-71.7	149.2	169.2	-64.3	-179	-177.6	177.6	0	110.3	L36 T37 P42	L36-K44 CarbonylContact O-C 3.54Å; L36-K44 WeakPolarHBondContact O-CA 3.44Å; L36-K44 WeakPolarHBondContact O-CB 3.42Å; T37-K44 HydrophobicContact CG2-CG 4.43Å; P42-K44 PolarHBondContact O-N 3.34Å
45	F	80.3	Confident	82.4	Confident	26 Å²	26	93.1 Å²	93.1	11%	0.114	45%	0.446	C	S	.	.			trans	-137	150.4	174.5	70.7	-89.2	0	0	0	110.5	F7 L20 K35 L36 V50	F7-F45 HydrophobicContact CZ-CZ 4.5Å; L20-F45 HydrophobicContact CD1-CD1 4.27Å; L20-F45 HydrophobicContact CD1-CE1 4.25Å; L20-F45 HydrophobicContact CD2-CD1 3.87Å; L20-F45 HydrophobicContact CD2-CD2 3.72Å; L20-F45 HydrophobicContact CD2-CE1 3.88Å; L20-F45 HydrophobicContact CD2-CE2 3.74Å; L20-F45 HydrophobicContact CD2-CG 3.79Å; L20-F45 HydrophobicContact CD2-CZ 3.82Å; K35-F45 WeakPolarHBondContact O-CE1 3.36Å; K35-F45 WeakPolarHBondContact O-CZ 3.17Å; L36-F45 WeakPolarHBondContact CD2-O 3.34Å; L36-F45 PolarHBondContact O-N 3.47Å; F45-V50 HydrophobicContact CD2-CG2 4.26Å; F45-V50 HydrophobicContact CE2-CG2 4.32Å
46	H	79.8	Confident	82.7	Confident	96 Å²	96	89.1 Å²	89.1	44%	0.444	43%	0.431	S	S	.	.			trans	-96.9	145.9	172.8	-166.2	-92.9	0	0	0	109.4	K48 S49	H46-K48 PolarHBondContact ND1-N 3.45Å; H46-K48 PolarHBondContact O-N 3.21Å; H46-S49 PolarHBondContact N-OG 3.33Å; H46-S49 WeakPolarHBondContact O-CA 3.41Å; H46-S49 VanDerWaalsContact O-CB 3.32Å; H46-S49 WeakPolarHBondContact O-CB 3.4Å; H46-S49 PolarHBondContact O-N 3.25Å; H46-S49 PolarHBondContact O-OG 2.79Å
47	Y	76	Confident	82.5	Confident	123 Å²	123	93.5 Å²	93.5	48%	0.482	45%	0.449	S	S	.	.	G	3₁₀ helix	trans	-60.2	-34.8	-177.5	71.5	-91	0	0	0	112.8	S49 V50	Y47-S49 PolarHBondContact O-N 2.82Å; Y47-V50 PolarHBondContact O-N 3.49Å
48	K	79.7	Confident	81.4	Confident	159 Å²	159	97.7 Å²	97.7	69%	0.691	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-68.7	-11.8	174.7	-59.8	-171.6	-177.7	-173.7	0	113.8	H46	H46-K48 PolarHBondContact ND1-N 3.45Å; H46-K48 PolarHBondContact O-N 3.21Å
49	S	81	Confident	80	Confident	17 Å²	17	104.9 Å²	104.9	12%	0.119	50%	0.504	C	S	.	.	G	3₁₀ helix	trans	-94.4	-1.7	-177.4	75.2	0	0	0	0	114	R21 H46 Y47	R21-S49 WeakPolarHBondContact CG-O 3.28Å; H46-S49 PolarHBondContact N-OG 3.33Å; H46-S49 WeakPolarHBondContact O-CA 3.41Å; H46-S49 VanDerWaalsContact O-CB 3.32Å; H46-S49 WeakPolarHBondContact O-CB 3.4Å; H46-S49 PolarHBondContact O-N 3.25Å; H46-S49 PolarHBondContact O-OG 2.79Å; Y47-S49 PolarHBondContact O-N 2.82Å
50	V	84.2	Confident	78.4	Confident	20 Å²	20	110.5 Å²	110.5	12%	0.121	52%	0.521	C	S	.	.			trans	-71.8	131.7	176.9	171.4	0	0	0	0	109.7	L20 F26 F45 Y47 E52	L20-V50 HydrophobicContact CD2-CG2 4.28Å; F26-V50 HydrophobicContact CE1-CG1 3.98Å; F26-V50 HydrophobicContact CZ-CB 4.48Å; F26-V50 HydrophobicContact CZ-CG1 3.5Å; F26-V50 HydrophobicContact CZ-CG2 4.11Å; F45-V50 HydrophobicContact CD2-CG2 4.26Å; F45-V50 HydrophobicContact CE2-CG2 4.32Å; Y47-V50 PolarHBondContact O-N 3.49Å; V50-E52 HydrophobicContact CG1-CG 4.15Å; V50-E52 PolarHBondContact O-N 3.11Å
51	V	86.2	Confident	76.6	Confident	74 Å²	74	107.7 Å²	107.7	45%	0.448	52%	0.519	S	S	.	.	B	Isolated β-bridge	trans	-84.7	103.7	168	-179.5	0	0	0	0	107.4	S18 L19	S18-V51 CarbonylContact C-O 3.47Å; S18-V51 VanDerWaalsContact CA-O 3.22Å; S18-V51 WeakPolarHBondContact CA-O 3.26Å; S18-V51 WeakPolarHBondContact CB-O 3.39Å; L19-V51 HydrophobicContact CB-CB 4.31Å; L19-V51 PolarHBondContact N-O 3.49Å; L19-V51 PolarHBondContact O-N 2.94Å
52	E	83.4	Confident	74.6	Confident	100 Å²	100	114.1 Å²	114.1	47%	0.467	55%	0.552	S	S	.	*			trans	-74.3	-31	-172.1	-65.5	-169.9	161.1	0	0	112.8	S18 R28 R31 V50	S18-E52 WeakPolarHBondContact OG-CA 3.5Å; S18-E52 PolarHBondContact OG-O 3.34Å; R28-E52 PolarHBondContact NE-O 3.45Å; R28-E52 PolarHBondContact NH2-O 2.78Å; R28-E52 VanDerWaalsContact NH2-O 3.13Å; R31-E52 IonicContact CZ-OE1 3.34Å; R31-E52 IonicContact NH1-OE1 2.87Å; R31-E52 PolarHBondContact NH1-OE1 2.81Å; R31-E52 IonicContact NH2-OE1 3.65Å; V50-E52 HydrophobicContact CG1-CG 4.15Å; V50-E52 PolarHBondContact O-N 3.11Å
53	K	79.9	Confident	72.9	Confident	124 Å²	124	113.5 Å²	113.5	54%	0.539	54%	0.538	S	S	.	.			trans	-128.1	123.2	-177.6	-167.1	170.4	-176.2	-177.9	0	110.7	F55	K53-F55 HydrophobicContact CB-CE2 4.45Å; K53-F55 HydrophobicContact CD-CE1 4.23Å; K53-F55 HydrophobicContact CD-CE2 3.94Å; K53-F55 HydrophobicContact CD-CZ 3.53Å; K53-F55 HydrophobicContact CG-CE1 4.5Å; K53-F55 HydrophobicContact CG-CE2 3.89Å; K53-F55 HydrophobicContact CG-CZ 3.9Å
54	V	80.6	Confident	71	Confident	19 Å²	19	113.7 Å²	113.7	12%	0.115	55%	0.547	C	S	.	.			trans	-107.3	122.6	178.4	-172.2	0	0	0	0	108.4	L17 L19 L56	L17-V54 HydrophobicContact CD2-CB 4.27Å; L17-V54 HydrophobicContact CD2-CG1 4.49Å; L17-V54 HydrophobicContact CD2-CG2 4.19Å; L17-V54 HydrophobicContact CG-CG2 4.14Å; L19-V54 HydrophobicContact CD1-CB 4.48Å; L19-V54 HydrophobicContact CD1-CG1 4.07Å; L19-V54 HydrophobicContact CD1-CG2 3.52Å; L19-V54 HydrophobicContact CG-CG2 3.63Å; V54-L56 HydrophobicContact CG1-CD2 3.77Å; V54-L56 HydrophobicContact CG1-CG 4.01Å
55	F	78	Confident	69.1	Low	156 Å²	156	112.5 Å²	112.5	68%	0.684	55%	0.549	S	S	*	.			trans	-97.2	117.3	170.4	-61.6	-88.4	0	0	0	107.5	K53	K53-F55 HydrophobicContact CB-CE2 4.45Å; K53-F55 HydrophobicContact CD-CE1 4.23Å; K53-F55 HydrophobicContact CD-CE2 3.94Å; K53-F55 HydrophobicContact CD-CZ 3.53Å; K53-F55 HydrophobicContact CG-CE1 4.5Å; K53-F55 HydrophobicContact CG-CE2 3.89Å; K53-F55 HydrophobicContact CG-CZ 3.9Å
56	L	74.9	Confident	67.8	Low	59 Å²	59	118.4 Å²	118.4	31%	0.309	58%	0.575	S	S	.	*			trans	-107	110.4	173.4	-59.4	173	0	0	0	106.3	F3 K14 V54 M58	F3-L56 HydrophobicContact CD2-CD1 4.4Å; F3-L56 HydrophobicContact CE2-CD1 3.51Å; F3-L56 HydrophobicContact CZ-CD1 4.1Å; K14-L56 HydrophobicContact CD-CB 4.37Å; K14-L56 HydrophobicContact CG-CD1 4.43Å; K14-L56 PolarHBondContact NZ-O 3.13Å; V54-L56 HydrophobicContact CG1-CD2 3.77Å; V54-L56 HydrophobicContact CG1-CG 4.01Å; L56-M58 PolarHBondContact O-N 3.23Å
57	E	73	Confident	66.5	Low	196 Å²	196	123.5 Å²	123.5	92%	0.916	60%	0.595	S	S	*	*			trans	-69.1	116.1	163.7	-73.4	174.4	-175.6	0	0	106.3
58	M	63.7	Low	65.5	Low	148 Å²	148	120 Å²	120	73%	0.729	59%	0.589	S	S	*	*			trans	-99.2	123.4	166.9	-59	-168	-41.8	0	0	104.6	L56 K60	L56-M58 PolarHBondContact O-N 3.23Å; M58-K60 PolarHBondContact O-N 2.93Å
59	D	58.9	Low	64.8	Low	159 Å²	159	114.9 Å²	114.9	85%	0.85	57%	0.573	S	S	*	*			trans	-53.7	114.6	161.8	-72.1	-32.5	0	0	0	106.2	S61	D59-S61 PolarHBondContact O-N 3.23Å
60	K	51.4	Low	64.6	Low	194 Å²	194	123.1 Å²	123.1	84%	0.843	61%	0.607	S	S	*	*			trans	-69.8	81.4	168.2	-66.3	-176.6	-179	-175.9	0	105.6	M58 D62	M58-K60 PolarHBondContact O-N 2.93Å; K60-D62 PolarHBondContact O-N 3.49Å
61	S	50.1	Low	64.5	Low	88 Å²	88	125.7 Å²	125.7	62%	0.615	63%	0.626	S	S	*	*			trans	-62.1	122.8	154.1	55.7	0	0	0	0	105.6	D59 E63	D59-S61 PolarHBondContact O-N 3.23Å; S61-E63 PolarHBondContact O-N 2.91Å
62	D	47.8	Very low	64.2	Low	160 Å²	160	127.1 Å²	127.1	86%	0.856	63%	0.627	S	S	*	*	S	Bend	trans	-62.1	56.1	176	-66.5	-44.3	0	0	0	112.2	K60	K60-D62 PolarHBondContact O-N 3.49Å
63	E	49.4	Very low	64.1	Low	111 Å²	111	127.4 Å²	127.4	52%	0.519	63%	0.629	S	S	.	*			trans	-98.6	10.1	174.4	-77.3	-75.6	166.1	0	0	111	S61 N65 K66	S61-E63 PolarHBondContact O-N 2.91Å; E63-N65 PolarHBondContact O-N 3.41Å; E63-K66 IonicContact OE1-NZ 2.92Å; E63-K66 PolarHBondContact OE1-NZ 3.03Å; E63-K66 IonicContact OE2-NZ 3.85Å
64	E	47.6	Very low	64.5	Low	178 Å²	178	123.9 Å²	123.9	83%	0.832	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	83.5	158.5	-70.7	-174.2	-179.7	0	0	108.3
65	N	46.2	Very low	64.9	Low	155 Å²	155	126.8 Å²	126.8	83%	0.829	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	145.5	19.3	151.9	-72.2	-41.8	0	0	0	116.3	E63 K67	E63-N65 PolarHBondContact O-N 3.41Å; N65-K67 VanDerWaalsContact C-N 3.33Å; N65-K67 PolarHBondContact O-N 3.45Å; N65-K67 VanDerWaalsContact O-N 3.08Å
66	K	51.5	Low	65.4	Low	151 Å²	151	124.4 Å²	124.4	66%	0.657	63%	0.632	S	S	*	*			trans	-76.8	94.6	154.7	-81.4	-178.3	-165.8	140.7	0	108	E63 S68	E63-K66 IonicContact OE1-NZ 2.92Å; E63-K66 PolarHBondContact OE1-NZ 3.03Å; E63-K66 IonicContact OE2-NZ 3.85Å; K66-S68 VanDerWaalsContact C-N 3.29Å; K66-S68 PolarHBondContact O-N 2.92Å
67	K	52.4	Low	66.2	Low	203 Å²	203	125.9 Å²	125.9	88%	0.883	64%	0.639	S	S	*	*			trans	-52.1	105.7	156.6	-75.3	179.6	179	175.4	0	105.2	N65 S69	N65-K67 VanDerWaalsContact C-N 3.33Å; N65-K67 PolarHBondContact O-N 3.45Å; N65-K67 VanDerWaalsContact O-N 3.08Å; K67-S69 PolarHBondContact O-N 2.92Å
68	S	56.3	Low	67.2	Low	49 Å²	49	121 Å²	121	34%	0.343	62%	0.616	S	S	.	*			trans	-49.6	131.2	177.6	62	0	0	0	0	106.9	K66 E72	K66-S68 VanDerWaalsContact C-N 3.29Å; K66-S68 PolarHBondContact O-N 2.92Å; S68-E72 VanDerWaalsContact CA-OE2 3.25Å; S68-E72 WeakPolarHBondContact CA-OE2 3.29Å; S68-E72 WeakPolarHBondContact CB-OE2 3.34Å
69	S	64.5	Low	68.6	Low	52 Å²	52	117.9 Å²	117.9	36%	0.364	60%	0.602	S	S	.	*			trans	-55.3	150.7	179.8	65.7	0	0	0	0	109.1	K67 S71 E72 Q73	K67-S69 PolarHBondContact O-N 2.92Å; S69-S71 PolarHBondContact O-N 2.93Å; S69-E72 PolarHBondContact N-OE2 3.3Å; S69-E72 PolarHBondContact O-N 3.33Å; S69-E72 WeakPolarHBondContact OG-CG 3.45Å; S69-E72 PolarHBondContact OG-N 2.88Å; S69-E72 PolarHBondContact OG-OE1 2.65Å; S69-Q73 PolarHBondContact O-N 3.4Å
70	K	77.3	Confident	70.2	Confident	190 Å²	190	114.9 Å²	114.9	83%	0.826	59%	0.589	S	S	*	*	H	α-helix	trans	-52.7	-28.5	176.3	-73	-176.8	178.8	179.5	0	111.7	A74	K70-A74 WeakPolarHBondContact O-CB 3.32Å; K70-A74 PolarHBondContact O-N 3.26Å
71	S	81	Confident	72.3	Confident	74 Å²	74	109.5 Å²	109.5	52%	0.517	57%	0.569	S	S	.	*	H	α-helix	trans	-65.7	-54.2	173	-165.6	0	0	0	0	112.2	S69 Q73 A74 D75	S69-S71 PolarHBondContact O-N 2.93Å; S71-Q73 VanDerWaalsContact C-N 3.25Å; S71-Q73 PolarHBondContact O-N 3.22Å; S71-A74 WeakPolarHBondContact O-CA 3.4Å; S71-A74 WeakPolarHBondContact O-CB 3.12Å; S71-A74 PolarHBondContact O-N 3.47Å; S71-D75 VanDerWaalsContact O-CG 3.3Å; S71-D75 PolarHBondContact O-N 3.4Å
72	E	80.4	Confident	74.4	Confident	103 Å²	103	110.1 Å²	110.1	48%	0.481	56%	0.561	S	S	.	*	H	α-helix	trans	-58.8	-38.6	178	-74.1	160.3	-153.9	0	0	112	S68 S69 D75 L76	S68-E72 VanDerWaalsContact CA-OE2 3.25Å; S68-E72 WeakPolarHBondContact CA-OE2 3.29Å; S68-E72 WeakPolarHBondContact CB-OE2 3.34Å; S69-E72 PolarHBondContact N-OE2 3.3Å; S69-E72 PolarHBondContact O-N 3.33Å; S69-E72 WeakPolarHBondContact OG-CG 3.45Å; S69-E72 PolarHBondContact OG-N 2.88Å; S69-E72 PolarHBondContact OG-OE1 2.65Å; E72-D75 PolarHBondContact O-N 3.27Å; E72-L76 WeakPolarHBondContact O-CB 3.32Å; E72-L76 VanDerWaalsContact O-CG 3.23Å; E72-L76 WeakPolarHBondContact O-CG 3.25Å; E72-L76 PolarHBondContact O-N 2.94Å
73	Q	81.4	Confident	76.6	Confident	106 Å²	106	106.2 Å²	106.2	50%	0.495	54%	0.54	S	S	.	.	H	α-helix	trans	-65.8	-39.4	175.7	-169.1	177.3	5.4	0	0	111.6	S69 S71 L76 I77	S69-Q73 PolarHBondContact O-N 3.4Å; S71-Q73 VanDerWaalsContact C-N 3.25Å; S71-Q73 PolarHBondContact O-N 3.22Å; Q73-L76 PolarHBondContact O-N 2.92Å; Q73-I77 HydrophobicContact CG-CD1 4.06Å; Q73-I77 WeakPolarHBondContact O-CB 3.46Å; Q73-I77 WeakPolarHBondContact O-CD1 3.17Å; Q73-I77 WeakPolarHBondContact O-CG1 3.41Å; Q73-I77 PolarHBondContact O-N 3.44Å
74	A	87.5	Confident	78.8	Confident	51 Å²	51	108.2 Å²	108.2	42%	0.421	54%	0.543	S	S	.	.	H	α-helix	trans	-64.4	-45	175.3	0	0	0	0	0	111.4	K70 S71 L76 I77 E78	K70-A74 WeakPolarHBondContact O-CB 3.32Å; K70-A74 PolarHBondContact O-N 3.26Å; S71-A74 WeakPolarHBondContact O-CA 3.4Å; S71-A74 WeakPolarHBondContact O-CB 3.12Å; S71-A74 PolarHBondContact O-N 3.47Å; A74-L76 VanDerWaalsContact C-N 3.34Å; A74-L76 PolarHBondContact O-N 2.87Å; A74-I77 PolarHBondContact O-N 2.96Å; A74-E78 WeakPolarHBondContact O-CB 3.22Å; A74-E78 PolarHBondContact O-N 2.89Å
75	D	89.4	Confident	81.1	Confident	79 Å²	79	104.6 Å²	104.6	42%	0.422	53%	0.526	S	S	.	.	H	α-helix	trans	-62.4	-41	177.7	-62.4	-31.6	0	0	0	111.4	S71 E72 E78 N79	S71-D75 VanDerWaalsContact O-CG 3.3Å; S71-D75 PolarHBondContact O-N 3.4Å; E72-D75 PolarHBondContact O-N 3.27Å; D75-E78 PolarHBondContact O-N 3.19Å; D75-N79 WeakPolarHBondContact O-CB 3.42Å; D75-N79 PolarHBondContact O-N 3.42Å; D75-N79 PolarHBondContact O-ND2 3.49Å
76	L	89.6	Confident	83.4	Confident	106 Å²	106	102 Å²	102	56%	0.555	51%	0.509	S	S	*	.	H	α-helix	trans	-62.7	-44.7	174.2	-75.4	169.6	0	0	0	111.7	E72 Q73 A74 N79 V80	E72-L76 WeakPolarHBondContact O-CB 3.32Å; E72-L76 VanDerWaalsContact O-CG 3.23Å; E72-L76 WeakPolarHBondContact O-CG 3.25Å; E72-L76 PolarHBondContact O-N 2.94Å; Q73-L76 PolarHBondContact O-N 2.92Å; A74-L76 VanDerWaalsContact C-N 3.34Å; A74-L76 PolarHBondContact O-N 2.87Å; L76-N79 PolarHBondContact O-N 3.16Å; L76-V80 WeakPolarHBondContact O-CB 3.4Å; L76-V80 VanDerWaalsContact O-CG2 3.26Å; L76-V80 WeakPolarHBondContact O-CG2 3.05Å; L76-V80 PolarHBondContact O-N 3.34Å
77	I	91.2	Very high	85.5	Confident	90 Å²	90	101.4 Å²	101.4	46%	0.462	50%	0.503	S	S	.	.	H	α-helix	trans	-62.8	-45.8	177.5	-70.9	165.4	0	0	0	110.2	Q73 A74 N79 V80 I81	Q73-I77 HydrophobicContact CG-CD1 4.06Å; Q73-I77 WeakPolarHBondContact O-CB 3.46Å; Q73-I77 WeakPolarHBondContact O-CD1 3.17Å; Q73-I77 WeakPolarHBondContact O-CG1 3.41Å; Q73-I77 PolarHBondContact O-N 3.44Å; A74-I77 PolarHBondContact O-N 2.96Å; I77-N79 VanDerWaalsContact C-N 3.35Å; I77-N79 PolarHBondContact O-N 3.36Å; I77-V80 PolarHBondContact O-N 3.42Å; I77-I81 HydrophobicContact CG2-CD1 3.78Å; I77-I81 HydrophobicContact CG2-CG1 4.45Å; I77-I81 VanDerWaalsContact O-CG1 3.29Å; I77-I81 WeakPolarHBondContact O-CG1 3.42Å; I77-I81 PolarHBondContact O-N 2.9Å
78	E	93.5	Very high	87.6	Confident	94 Å²	94	95.5 Å²	95.5	44%	0.439	48%	0.479	S	S	.	.	H	α-helix	trans	-60.8	-43.8	178.1	-169.4	-177.2	166.7	0	0	111.4	A74 D75 V80 I81 K82	A74-E78 WeakPolarHBondContact O-CB 3.22Å; A74-E78 PolarHBondContact O-N 2.89Å; D75-E78 PolarHBondContact O-N 3.19Å; E78-V80 PolarHBondContact O-N 2.93Å; E78-I81 PolarHBondContact O-N 3.32Å; E78-K82 HydrophobicContact CG-CD 4.36Å; E78-K82 WeakPolarHBondContact O-CG 3.48Å; E78-K82 PolarHBondContact O-N 3.22Å; E78-K82 WeakPolarHBondContact OE1-CE 3.48Å; E78-K82 IonicContact OE1-NZ 3.97Å; E78-K82 PolarHBondContact OE1-NZ 2.69Å
79	N	93.2	Very high	89.5	Confident	82 Å²	82	98.7 Å²	98.7	44%	0.439	49%	0.491	S	S	.	.	H	α-helix	trans	-64	-39.8	175.8	-74	-34.5	0	0	0	112.5	D75 L76 I77 I81 K82 N83	D75-N79 WeakPolarHBondContact O-CB 3.42Å; D75-N79 PolarHBondContact O-N 3.42Å; D75-N79 PolarHBondContact O-ND2 3.49Å; L76-N79 PolarHBondContact O-N 3.16Å; I77-N79 VanDerWaalsContact C-N 3.35Å; I77-N79 PolarHBondContact O-N 3.36Å; N79-I81 VanDerWaalsContact C-N 3.34Å; N79-K82 PolarHBondContact O-N 3.44Å; N79-N83 VanDerWaalsContact O-CB 3.29Å; N79-N83 WeakPolarHBondContact O-CB 3.17Å; N79-N83 PolarHBondContact O-N 2.92Å; N79-N83 PolarHBondContact O-ND2 2.92Å
80	V	93	Very high	91	Very high	96 Å²	96	99 Å²	99	58%	0.582	49%	0.487	S	S	*	.	H	α-helix	trans	-63.8	-40.6	174.9	168.8	0	0	0	0	111.1	L76 I77 E78 R84	L76-V80 WeakPolarHBondContact O-CB 3.4Å; L76-V80 VanDerWaalsContact O-CG2 3.26Å; L76-V80 WeakPolarHBondContact O-CG2 3.05Å; L76-V80 PolarHBondContact O-N 3.34Å; I77-V80 PolarHBondContact O-N 3.42Å; E78-V80 PolarHBondContact O-N 2.93Å; V80-R84 VanDerWaalsContact O-CB 3.28Å; V80-R84 WeakPolarHBondContact O-CB 3.32Å; V80-R84 PolarHBondContact O-N 3.38Å
81	I	94.3	Very high	91.9	Very high	82 Å²	82	95 Å²	95	42%	0.421	47%	0.474	S	S	.	.	H	α-helix	trans	-64.7	-50.3	176.5	-67.8	167.1	0	0	0	110.4	I77 E78 N79 N83 R84 E85	I77-I81 HydrophobicContact CG2-CD1 3.78Å; I77-I81 HydrophobicContact CG2-CG1 4.45Å; I77-I81 VanDerWaalsContact O-CG1 3.29Å; I77-I81 WeakPolarHBondContact O-CG1 3.42Å; I77-I81 PolarHBondContact O-N 2.9Å; E78-I81 PolarHBondContact O-N 3.32Å; N79-I81 VanDerWaalsContact C-N 3.34Å; I81-N83 PolarHBondContact O-N 3.45Å; I81-R84 WeakPolarHBondContact O-CB 3.48Å; I81-R84 PolarHBondContact O-N 3.23Å; I81-R84 VanDerWaalsContact O-N 3.11Å; I81-E85 WeakPolarHBondContact O-CG 3.36Å; I81-E85 PolarHBondContact O-N 2.59Å
82	K	95.3	Very high	92.7	Very high	101 Å²	101	96.6 Å²	96.6	44%	0.439	47%	0.473	S	S	.	.	H	α-helix	trans	-57	-46.5	177.1	-75	175.2	-178.6	166.9	0	112.2	E78 N79 R84 E85 Q86	E78-K82 HydrophobicContact CG-CD 4.36Å; E78-K82 WeakPolarHBondContact O-CG 3.48Å; E78-K82 PolarHBondContact O-N 3.22Å; E78-K82 WeakPolarHBondContact OE1-CE 3.48Å; E78-K82 IonicContact OE1-NZ 3.97Å; E78-K82 PolarHBondContact OE1-NZ 2.69Å; N79-K82 PolarHBondContact O-N 3.44Å; K82-R84 VanDerWaalsContact C-N 3.33Å; K82-R84 PolarHBondContact O-N 2.96Å; K82-E85 PolarHBondContact O-N 2.87Å; K82-Q86 PolarHBondContact O-N 3.18Å
83	N	94.5	Very high	93.5	Very high	78 Å²	78	96.4 Å²	96.4	42%	0.417	47%	0.472	S	S	.	.	H	α-helix	trans	-63.2	-40.1	177.2	-72.9	-21.7	0	0	0	111.7	N79 I81 Q86 Y87	N79-N83 VanDerWaalsContact O-CB 3.29Å; N79-N83 WeakPolarHBondContact O-CB 3.17Å; N79-N83 PolarHBondContact O-N 2.92Å; N79-N83 PolarHBondContact O-ND2 2.92Å; I81-N83 PolarHBondContact O-N 3.45Å; N83-Q86 PolarHBondContact O-N 3.03Å; N83-Y87 HydrophobicContact CB-CE2 4.33Å; N83-Y87 WeakPolarHBondContact O-CD2 3.08Å; N83-Y87 PolarHBondContact O-N 3.03Å
84	R	94.6	Very high	94.2	Very high	152 Å²	152	99.6 Å²	99.6	57%	0.574	48%	0.48	S	S	*	.	H	α-helix	trans	-61.7	-46.4	176.3	176.6	179.9	177.3	-101	3.5	111.3	V80 I81 K82 Y87 Q88	V80-R84 VanDerWaalsContact O-CB 3.28Å; V80-R84 WeakPolarHBondContact O-CB 3.32Å; V80-R84 PolarHBondContact O-N 3.38Å; I81-R84 WeakPolarHBondContact O-CB 3.48Å; I81-R84 PolarHBondContact O-N 3.23Å; I81-R84 VanDerWaalsContact O-N 3.11Å; K82-R84 VanDerWaalsContact C-N 3.33Å; K82-R84 PolarHBondContact O-N 2.96Å; R84-Y87 PolarHBondContact O-N 3.38Å; R84-Q88 VanDerWaalsContact O-CG 3.32Å; R84-Q88 WeakPolarHBondContact O-CG 3.32Å; R84-Q88 PolarHBondContact O-N 2.96Å
85	E	95.3	Very high	94.7	Very high	102 Å²	102	100.3 Å²	100.3	48%	0.477	48%	0.479	S	S	.	.	H	α-helix	trans	-61.6	-44.2	177.6	-71.4	173.1	174.6	0	0	111.3	I81 K82 Y87 Q88 L89	I81-E85 WeakPolarHBondContact O-CG 3.36Å; I81-E85 PolarHBondContact O-N 2.59Å; K82-E85 PolarHBondContact O-N 2.87Å; E85-Y87 PolarHBondContact O-N 3.33Å; E85-Q88 WeakPolarHBondContact O-CB 3.39Å; E85-Q88 PolarHBondContact O-N 3.49Å; E85-L89 WeakPolarHBondContact O-CG 3.5Å; E85-L89 PolarHBondContact O-N 2.85Å
86	Q	95.9	Very high	95.1	Very high	101 Å²	101	103.6 Å²	103.6	47%	0.472	49%	0.49	S	S	.	.	H	α-helix	trans	-59.6	-47.9	174.7	-176.3	-177.7	-17.8	0	0	111.9	K82 N83 Q88 L89 E90	K82-Q86 PolarHBondContact O-N 3.18Å; N83-Q86 PolarHBondContact O-N 3.03Å; Q86-Q88 VanDerWaalsContact C-N 3.28Å; Q86-Q88 PolarHBondContact O-N 3.45Å; Q86-L89 PolarHBondContact O-N 2.88Å; Q86-E90 PolarHBondContact NE2-OE1 3.4Å; Q86-E90 VanDerWaalsContact NE2-OE1 3.16Å; Q86-E90 WeakPolarHBondContact O-CG 3.45Å; Q86-E90 PolarHBondContact O-N 2.84Å
87	Y	94.7	Very high	95.4	Very high	139 Å²	139	104.7 Å²	104.7	55%	0.545	49%	0.49	S	S	.	.	H	α-helix	trans	-65	-32.6	178.1	-72	-48.6	0	0	0	112.7	N83 R84 E85 E90 I91	N83-Y87 HydrophobicContact CB-CE2 4.33Å; N83-Y87 WeakPolarHBondContact O-CD2 3.08Å; N83-Y87 PolarHBondContact O-N 3.03Å; R84-Y87 PolarHBondContact O-N 3.38Å; E85-Y87 PolarHBondContact O-N 3.33Å; Y87-E90 PolarHBondContact O-N 3.4Å; Y87-I91 WeakPolarHBondContact O-CB 3.4Å; Y87-I91 WeakPolarHBondContact O-CD1 3.33Å; Y87-I91 WeakPolarHBondContact O-CG1 3.36Å; Y87-I91 PolarHBondContact O-N 2.91Å
88	Q	96	Very high	95.7	Very high	79 Å²	79	105.3 Å²	105.3	37%	0.369	49%	0.494	S	S	.	.	H	α-helix	trans	-62.9	-46.5	173	-77	177.3	-28.4	0	0	111.2	R84 E85 Q86 E90 I91 E92	R84-Q88 VanDerWaalsContact O-CG 3.32Å; R84-Q88 WeakPolarHBondContact O-CG 3.32Å; R84-Q88 PolarHBondContact O-N 2.96Å; E85-Q88 WeakPolarHBondContact O-CB 3.39Å; E85-Q88 PolarHBondContact O-N 3.49Å; Q86-Q88 VanDerWaalsContact C-N 3.28Å; Q86-Q88 PolarHBondContact O-N 3.45Å; Q88-E90 PolarHBondContact O-N 3.25Å; Q88-I91 PolarHBondContact O-N 3.23Å; Q88-E92 WeakPolarHBondContact O-CG 3.43Å; Q88-E92 PolarHBondContact O-N 3.16Å
89	L	96.5	Very high	95.9	Very high	115 Å²	115	105.4 Å²	105.4	60%	0.602	50%	0.496	S	S	*	.	H	α-helix	trans	-60.1	-44.1	175.1	-69	171.3	0	0	0	112.1	E85 Q86 I91 E92 E93	E85-L89 WeakPolarHBondContact O-CG 3.5Å; E85-L89 PolarHBondContact O-N 2.85Å; Q86-L89 PolarHBondContact O-N 2.88Å; L89-I91 VanDerWaalsContact C-N 3.34Å; L89-I91 PolarHBondContact O-N 3.46Å; L89-E92 PolarHBondContact O-N 3.44Å; L89-E93 WeakPolarHBondContact O-CB 3.47Å; L89-E93 PolarHBondContact O-N 2.97Å
90	E	97	Very high	96.1	Very high	59 Å²	59	104 Å²	104	28%	0.276	50%	0.496	S	S	.	.	H	α-helix	trans	-62.9	-39.3	176.6	-72.5	-177.8	-161.6	0	0	112.4	Q86 Y87 Q88 R94	Q86-E90 PolarHBondContact NE2-OE1 3.4Å; Q86-E90 VanDerWaalsContact NE2-OE1 3.16Å; Q86-E90 WeakPolarHBondContact O-CG 3.45Å; Q86-E90 PolarHBondContact O-N 2.84Å; Y87-E90 PolarHBondContact O-N 3.4Å; Q88-E90 PolarHBondContact O-N 3.25Å; E90-R94 WeakPolarHBondContact O-CB 3.4Å; E90-R94 VanDerWaalsContact O-CG 3.22Å; E90-R94 WeakPolarHBondContact O-CG 3.49Å; E90-R94 PolarHBondContact O-N 3.35Å
91	I	96.1	Very high	96.3	Very high	107 Å²	107	102 Å²	102	55%	0.549	49%	0.49	S	S	.	.	H	α-helix	trans	-65.4	-45.1	176.3	-72.8	165	0	0	0	110.2	Y87 Q88 L89 R94 T95	Y87-I91 WeakPolarHBondContact O-CB 3.4Å; Y87-I91 WeakPolarHBondContact O-CD1 3.33Å; Y87-I91 WeakPolarHBondContact O-CG1 3.36Å; Y87-I91 PolarHBondContact O-N 2.91Å; Q88-I91 PolarHBondContact O-N 3.23Å; L89-I91 VanDerWaalsContact C-N 3.34Å; L89-I91 PolarHBondContact O-N 3.46Å; I91-R94 PolarHBondContact O-N 3Å; I91-T95 WeakPolarHBondContact O-CB 3.22Å; I91-T95 PolarHBondContact O-N 2.99Å; I91-T95 PolarHBondContact O-OG1 3.41Å
92	E	97	Very high	96.5	Very high	107 Å²	107	103 Å²	103	50%	0.5	49%	0.493	S	S	.	.	H	α-helix	trans	-62.6	-45	178	-74.3	179.9	-170.5	0	0	111.9	Q88 L89 R94 T95 K96	Q88-E92 WeakPolarHBondContact O-CG 3.43Å; Q88-E92 PolarHBondContact O-N 3.16Å; L89-E92 PolarHBondContact O-N 3.44Å; E92-R94 PolarHBondContact O-N 2.92Å; E92-T95 PolarHBondContact O-N 2.93Å; E92-K96 WeakPolarHBondContact O-CG 3.49Å; E92-K96 PolarHBondContact O-N 3.08Å
93	E	97.2	Very high	96.6	Very high	99 Å²	99	101.7 Å²	101.7	46%	0.463	49%	0.493	S	S	.	.	H	α-helix	trans	-60.8	-46.2	177.1	-167.1	-161.7	157.8	0	0	111.3	L89 T95 K96 K97	L89-E93 WeakPolarHBondContact O-CB 3.47Å; L89-E93 PolarHBondContact O-N 2.97Å; E93-T95 VanDerWaalsContact C-N 3.31Å; E93-T95 PolarHBondContact O-N 2.79Å; E93-K96 PolarHBondContact O-N 2.86Å; E93-K97 WeakPolarHBondContact O-CG 3.45Å; E93-K97 PolarHBondContact O-N 3.34Å; E93-K97 VanDerWaalsContact OE1-CE 3.3Å; E93-K97 WeakPolarHBondContact OE1-CE 3.09Å; E93-K97 IonicContact OE1-NZ 3.67Å; E93-K97 PolarHBondContact OE1-NZ 3.44Å
94	R	97.2	Very high	96.8	Very high	172 Å²	172	105 Å²	105	65%	0.649	50%	0.504	S	S	*	.	H	α-helix	trans	-64.4	-37	176.8	-73.3	177.8	-174	-169.9	7.3	112	E90 I91 E92 K97 L98	E90-R94 WeakPolarHBondContact O-CB 3.4Å; E90-R94 VanDerWaalsContact O-CG 3.22Å; E90-R94 WeakPolarHBondContact O-CG 3.49Å; E90-R94 PolarHBondContact O-N 3.35Å; I91-R94 PolarHBondContact O-N 3Å; E92-R94 PolarHBondContact O-N 2.92Å; R94-K97 PolarHBondContact O-N 3.48Å; R94-L98 WeakPolarHBondContact O-CB 3.33Å; R94-L98 PolarHBondContact O-N 3.49Å
95	T	97	Very high	96.9	Very high	67 Å²	67	105.2 Å²	105.2	41%	0.411	51%	0.506	S	S	.	.	H	α-helix	trans	-65.7	-42.9	176.7	-57	0	0	0	0	111	I91 E92 E93 K97 L98 L99	I91-T95 WeakPolarHBondContact O-CB 3.22Å; I91-T95 PolarHBondContact O-N 2.99Å; I91-T95 PolarHBondContact O-OG1 3.41Å; E92-T95 PolarHBondContact O-N 2.93Å; E93-T95 VanDerWaalsContact C-N 3.31Å; E93-T95 PolarHBondContact O-N 2.79Å; T95-K97 PolarHBondContact O-N 3.38Å; T95-L98 PolarHBondContact O-N 2.92Å; T95-L99 HydrophobicContact CG2-CD1 4.39Å; T95-L99 WeakPolarHBondContact O-CG 3.5Å; T95-L99 PolarHBondContact O-N 2.9Å
96	K	97.4	Very high	97	Very high	148 Å²	148	104.5 Å²	104.5	64%	0.643	51%	0.509	S	S	*	.	H	α-helix	trans	-60.1	-44.7	173.1	-72	173.8	-176.5	172.1	0	111.8	E92 E93 L98 L99 A100	E92-K96 WeakPolarHBondContact O-CG 3.49Å; E92-K96 PolarHBondContact O-N 3.08Å; E93-K96 PolarHBondContact O-N 2.86Å; K96-L98 VanDerWaalsContact C-N 3.33Å; K96-L98 PolarHBondContact O-N 3.2Å; K96-L99 PolarHBondContact O-N 3.3Å; K96-A100 WeakPolarHBondContact O-CB 3.45Å; K96-A100 PolarHBondContact O-N 2.86Å
97	K	97.4	Very high	97.1	Very high	129 Å²	129	105.4 Å²	105.4	56%	0.561	51%	0.513	S	S	*	.	H	α-helix	trans	-61.6	-40.5	175.7	-75.8	172.5	171.8	168.5	0	112.1	E93 R94 T95 A100 A101	E93-K97 WeakPolarHBondContact O-CG 3.45Å; E93-K97 PolarHBondContact O-N 3.34Å; E93-K97 VanDerWaalsContact OE1-CE 3.3Å; E93-K97 WeakPolarHBondContact OE1-CE 3.09Å; E93-K97 IonicContact OE1-NZ 3.67Å; E93-K97 PolarHBondContact OE1-NZ 3.44Å; R94-K97 PolarHBondContact O-N 3.48Å; T95-K97 PolarHBondContact O-N 3.38Å; K97-A100 PolarHBondContact O-N 3.39Å; K97-A101 WeakPolarHBondContact O-CB 3.47Å; K97-A101 PolarHBondContact O-N 3.27Å
98	L	97.2	Very high	97.2	Very high	103 Å²	103	101.4 Å²	101.4	54%	0.539	51%	0.509	S	S	.	.	H	α-helix	trans	-63.7	-49.2	177.5	-173	67.8	0	0	0	111.4	R94 T95 K96 A100 A101 E102	R94-L98 WeakPolarHBondContact O-CB 3.33Å; R94-L98 PolarHBondContact O-N 3.49Å; T95-L98 PolarHBondContact O-N 2.92Å; K96-L98 VanDerWaalsContact C-N 3.33Å; K96-L98 PolarHBondContact O-N 3.2Å; L98-A100 VanDerWaalsContact C-N 3.32Å; L98-A100 PolarHBondContact O-N 3.48Å; L98-A101 WeakPolarHBondContact O-CB 3.47Å; L98-A101 PolarHBondContact O-N 3.3Å; L98-A101 VanDerWaalsContact O-N 3.1Å; L98-E102 WeakPolarHBondContact O-CG 3.47Å; L98-E102 PolarHBondContact O-N 3.48Å
99	L	97.7	Very high	97.3	Very high	95 Å²	95	103.9 Å²	103.9	50%	0.497	52%	0.518	S	S	.	.	H	α-helix	trans	-60.9	-39	177.5	-70.8	171.8	0	0	0	112.6	T95 K96 E102 T103	T95-L99 HydrophobicContact CG2-CD1 4.39Å; T95-L99 WeakPolarHBondContact O-CG 3.5Å; T95-L99 PolarHBondContact O-N 2.9Å; K96-L99 PolarHBondContact O-N 3.3Å; L99-E102 PolarHBondContact O-N 3.24Å; L99-T103 WeakPolarHBondContact O-CB 3.3Å; L99-T103 PolarHBondContact O-N 2.84Å; L99-T103 PolarHBondContact O-OG1 2.96Å
100	A	97.6	Very high	97.3	Very high	52 Å²	52	100.4 Å²	100.4	43%	0.43	51%	0.51	S	S	.	.	H	α-helix	trans	-64.4	-40.5	174.4	0	0	0	0	0	111.8	K96 K97 L98 K104	K96-A100 WeakPolarHBondContact O-CB 3.45Å; K96-A100 PolarHBondContact O-N 2.86Å; K97-A100 PolarHBondContact O-N 3.39Å; L98-A100 VanDerWaalsContact C-N 3.32Å; L98-A100 PolarHBondContact O-N 3.48Å; A100-K104 WeakPolarHBondContact O-CG 3.46Å; A100-K104 PolarHBondContact O-N 3.43Å; A100-K104 VanDerWaalsContact O-N 3.11Å
101	A	97.3	Very high	97.4	Very high	56 Å²	56	103.3 Å²	103.3	46%	0.463	53%	0.527	S	S	.	.	H	α-helix	trans	-67.5	-40.8	176	0	0	0	0	0	112.1	K97 L98 K104 Y105	K97-A101 WeakPolarHBondContact O-CB 3.47Å; K97-A101 PolarHBondContact O-N 3.27Å; L98-A101 WeakPolarHBondContact O-CB 3.47Å; L98-A101 PolarHBondContact O-N 3.3Å; L98-A101 VanDerWaalsContact O-N 3.1Å; A101-K104 PolarHBondContact O-N 3.1Å; A101-Y105 WeakPolarHBondContact O-CB 3.42Å; A101-Y105 PolarHBondContact O-N 3.38Å
102	E	97.6	Very high	97.4	Very high	101 Å²	101	103.3 Å²	103.3	47%	0.472	53%	0.528	S	S	.	.	H	α-helix	trans	-62.2	-42.1	175.2	-74.9	179	170.6	0	0	111.7	L98 L99 K104 Y105 T106	L98-E102 WeakPolarHBondContact O-CG 3.47Å; L98-E102 PolarHBondContact O-N 3.48Å; L99-E102 PolarHBondContact O-N 3.24Å; E102-K104 PolarHBondContact O-N 3Å; E102-Y105 WeakPolarHBondContact O-CB 3.45Å; E102-Y105 PolarHBondContact O-N 3.48Å; E102-T106 WeakPolarHBondContact O-CG2 3.3Å; E102-T106 PolarHBondContact O-N 2.62Å; E102-T106 PolarHBondContact O-OG1 2.89Å
103	T	97.5	Very high	97.4	Very high	74 Å²	74	104.8 Å²	104.8	45%	0.454	53%	0.532	S	S	.	.	H	α-helix	trans	-62	-42.5	175.5	-55.9	0	0	0	0	111.7	L99 Y105 T106 Q107	L99-T103 WeakPolarHBondContact O-CB 3.3Å; L99-T103 PolarHBondContact O-N 2.84Å; L99-T103 PolarHBondContact O-OG1 2.96Å; T103-Y105 VanDerWaalsContact C-N 3.34Å; T103-Y105 PolarHBondContact O-N 3.02Å; T103-T106 PolarHBondContact O-N 3.22Å; T103-T106 PolarHBondContact O-OG1 3.15Å; T103-Q107 VanDerWaalsContact O-CG 3.3Å; T103-Q107 WeakPolarHBondContact O-CG 3.48Å; T103-Q107 PolarHBondContact O-N 3.06Å
104	K	97.7	Very high	97.4	Very high	148 Å²	148	103 Å²	103	64%	0.643	53%	0.531	S	S	*	.	H	α-helix	trans	-64.1	-40.1	174.5	-73.4	178.3	178.9	-177.3	0	111.8	A100 A101 E102 Q107 A108	A100-K104 WeakPolarHBondContact O-CG 3.46Å; A100-K104 PolarHBondContact O-N 3.43Å; A100-K104 VanDerWaalsContact O-N 3.11Å; A101-K104 PolarHBondContact O-N 3.1Å; E102-K104 PolarHBondContact O-N 3Å; K104-Q107 PolarHBondContact O-N 3.11Å; K104-A108 WeakPolarHBondContact O-CB 3.34Å; K104-A108 PolarHBondContact O-N 3.31Å
105	Y	97.2	Very high	97.4	Very high	157 Å²	157	98.6 Å²	98.6	62%	0.616	52%	0.523	S	S	*	.	H	α-helix	trans	-63.3	-44.1	177.5	175	-97.7	0	0	0	111.8	A101 E102 T103 A108 K109	A101-Y105 WeakPolarHBondContact O-CB 3.42Å; A101-Y105 PolarHBondContact O-N 3.38Å; E102-Y105 WeakPolarHBondContact O-CB 3.45Å; E102-Y105 PolarHBondContact O-N 3.48Å; T103-Y105 VanDerWaalsContact C-N 3.34Å; T103-Y105 PolarHBondContact O-N 3.02Å; Y105-A108 PolarHBondContact O-N 2.92Å; Y105-K109 HydrophobicContact CE1-CD 4.38Å; Y105-K109 VanDerWaalsContact O-CB 3.3Å; Y105-K109 WeakPolarHBondContact O-CB 3.3Å; Y105-K109 PolarHBondContact O-N 3.47Å
106	T	97.5	Very high	97.3	Very high	86 Å²	86	100.7 Å²	100.7	53%	0.528	53%	0.529	S	S	.	.	H	α-helix	trans	-66.6	-39.8	177.9	54.8	0	0	0	0	112.1	E102 T103 K109 G110	E102-T106 WeakPolarHBondContact O-CG2 3.3Å; E102-T106 PolarHBondContact O-N 2.62Å; E102-T106 PolarHBondContact O-OG1 2.89Å; T103-T106 PolarHBondContact O-N 3.22Å; T103-T106 PolarHBondContact O-OG1 3.15Å; T106-K109 PolarHBondContact O-N 3.05Å; T106-G110 PolarHBondContact O-N 2.96Å
107	Q	97.7	Very high	97.3	Very high	121 Å²	121	98.5 Å²	98.5	57%	0.565	52%	0.521	S	S	*	.	H	α-helix	trans	-61.1	-49.7	172.8	-73	174	-3.5	0	0	112	T103 K104 K109 G110 L111	T103-Q107 VanDerWaalsContact O-CG 3.3Å; T103-Q107 WeakPolarHBondContact O-CG 3.48Å; T103-Q107 PolarHBondContact O-N 3.06Å; K104-Q107 PolarHBondContact O-N 3.11Å; Q107-K109 VanDerWaalsContact C-N 3.29Å; Q107-K109 PolarHBondContact O-N 3.11Å; Q107-G110 PolarHBondContact O-N 3.41Å; Q107-G110 VanDerWaalsContact O-N 3.11Å; Q107-L111 PolarHBondContact O-N 2.9Å
108	A	97.4	Very high	97.2	Very high	55 Å²	55	95.9 Å²	95.9	46%	0.455	52%	0.517	S	S	.	.	H	α-helix	trans	-60.9	-39.2	178.2	0	0	0	0	0	111.9	K104 Y105 G110 L111 L112	K104-A108 WeakPolarHBondContact O-CB 3.34Å; K104-A108 PolarHBondContact O-N 3.31Å; Y105-A108 PolarHBondContact O-N 2.92Å; A108-G110 VanDerWaalsContact C-N 3.35Å; A108-L111 PolarHBondContact O-N 3.43Å; A108-L112 WeakPolarHBondContact O-CB 3.34Å; A108-L112 PolarHBondContact O-N 3.41Å
109	K	97.8	Very high	97.2	Very high	131 Å²	131	94.7 Å²	94.7	57%	0.57	51%	0.514	S	S	*	.	H	α-helix	trans	-63.4	-39.9	174.3	-174.9	178.8	179.2	-179.3	0	112.1	Y105 T106 Q107 K113	Y105-K109 HydrophobicContact CE1-CD 4.38Å; Y105-K109 VanDerWaalsContact O-CB 3.3Å; Y105-K109 WeakPolarHBondContact O-CB 3.3Å; Y105-K109 PolarHBondContact O-N 3.47Å; T106-K109 PolarHBondContact O-N 3.05Å; Q107-K109 VanDerWaalsContact C-N 3.29Å; Q107-K109 PolarHBondContact O-N 3.11Å; K109-K113 PolarHBondContact O-N 3.5Å; K109-K113 VanDerWaalsContact O-N 3.15Å
110	G	97.4	Very high	97.1	Very high	42 Å²	42	96.5 Å²	96.5	43%	0.433	52%	0.517	S	S	.	.	H	α-helix	trans	-63.6	-47.3	174.5	0	0	0	0	0	112.4	T106 Q107 A108 L112 K113 S114	T106-G110 PolarHBondContact O-N 2.96Å; Q107-G110 PolarHBondContact O-N 3.41Å; Q107-G110 VanDerWaalsContact O-N 3.11Å; A108-G110 VanDerWaalsContact C-N 3.35Å; G110-L112 PolarHBondContact O-N 2.91Å; G110-K113 PolarHBondContact O-N 3.46Å; G110-S114 PolarHBondContact O-N 3.37Å
111	L	97.6	Very high	97	Very high	119 Å²	119	96.9 Å²	96.9	62%	0.623	52%	0.517	S	S	*	.	H	α-helix	trans	-58.8	-46.2	175.1	-71.8	173.9	0	0	0	111.5	Q107 A108 K113 S114 T115	Q107-L111 PolarHBondContact O-N 2.9Å; A108-L111 PolarHBondContact O-N 3.43Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 3.26Å; L111-S114 PolarHBondContact O-N 3.34Å; L111-S114 VanDerWaalsContact O-N 3.16Å; L111-T115 PolarHBondContact O-N 3.13Å; L111-T115 PolarHBondContact O-OG1 2.91Å
112	L	97.1	Very high	97	Very high	108 Å²	108	98.5 Å²	98.5	57%	0.565	52%	0.517	S	S	*	.	H	α-helix	trans	-56.3	-43.6	177.3	179.6	62.9	0	0	0	111.8	A108 G110 T115 M116	A108-L112 WeakPolarHBondContact O-CB 3.34Å; A108-L112 PolarHBondContact O-N 3.41Å; G110-L112 PolarHBondContact O-N 2.91Å; L112-T115 PolarHBondContact O-N 3.38Å; L112-M116 HydrophobicContact CG-SD 4.43Å; L112-M116 VanDerWaalsContact O-CG 3.27Å; L112-M116 WeakPolarHBondContact O-CG 3.44Å; L112-M116 PolarHBondContact O-N 3.48Å
113	K	97.5	Very high	96.9	Very high	137 Å²	137	96.3 Å²	96.3	60%	0.596	51%	0.511	S	S	*	.	H	α-helix	trans	-62.8	-46.9	177.5	-172.1	-175.1	174.3	-167.2	0	111.5	K109 G110 L111 M116 E117	K109-K113 PolarHBondContact O-N 3.5Å; K109-K113 VanDerWaalsContact O-N 3.15Å; G110-K113 PolarHBondContact O-N 3.46Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 3.26Å; K113-M116 WeakPolarHBondContact O-CB 3.43Å; K113-M116 PolarHBondContact O-N 3.14Å; K113-E117 WeakPolarHBondContact CE-OE1 3.49Å; K113-E117 PolarHBondContact O-N 3.39Å; K113-E117 VanDerWaalsContact O-N 3.09Å
114	S	96.8	Very high	96.8	Very high	62 Å²	62	97.9 Å²	97.9	43%	0.434	51%	0.513	S	S	.	.	H	α-helix	trans	-61.6	-44.4	177.3	178.8	0	0	0	0	111.8	G110 L111 M116 E117 T118	G110-S114 PolarHBondContact O-N 3.37Å; L111-S114 PolarHBondContact O-N 3.34Å; L111-S114 VanDerWaalsContact O-N 3.16Å; S114-M116 VanDerWaalsContact C-N 3.32Å; S114-M116 PolarHBondContact O-N 3.09Å; S114-E117 WeakPolarHBondContact O-CB 3.27Å; S114-E117 PolarHBondContact O-N 3.25Å; S114-E117 VanDerWaalsContact O-N 3.14Å; S114-T118 PolarHBondContact O-N 3.16Å; S114-T118 PolarHBondContact O-OG1 2.96Å
115	T	96.7	Very high	96.7	Very high	79 Å²	79	95.5 Å²	95.5	49%	0.485	51%	0.507	S	S	.	.	H	α-helix	trans	-60.6	-40.7	175.3	-54.1	0	0	0	0	111.8	L111 L112 E117 T118 V119	L111-T115 PolarHBondContact O-N 3.13Å; L111-T115 PolarHBondContact O-OG1 2.91Å; L112-T115 PolarHBondContact O-N 3.38Å; T115-E117 VanDerWaalsContact C-N 3.3Å; T115-E117 PolarHBondContact O-N 2.96Å; T115-T118 PolarHBondContact O-N 2.98Å; T115-V119 HydrophobicContact CG2-CG2 4.39Å; T115-V119 WeakPolarHBondContact O-CB 3.49Å; T115-V119 VanDerWaalsContact O-CG2 3.26Å; T115-V119 WeakPolarHBondContact O-CG2 3.26Å; T115-V119 PolarHBondContact O-N 2.66Å
116	M	96.2	Very high	96.7	Very high	111 Å²	111	93.9 Å²	93.9	55%	0.547	51%	0.505	S	S	.	.	H	α-helix	trans	-63.1	-36.1	175.9	-73.6	178.2	72.3	0	0	112.6	L112 K113 S114 K120	L112-M116 HydrophobicContact CG-SD 4.43Å; L112-M116 VanDerWaalsContact O-CG 3.27Å; L112-M116 WeakPolarHBondContact O-CG 3.44Å; L112-M116 PolarHBondContact O-N 3.48Å; K113-M116 WeakPolarHBondContact O-CB 3.43Å; K113-M116 PolarHBondContact O-N 3.14Å; S114-M116 VanDerWaalsContact C-N 3.32Å; S114-M116 PolarHBondContact O-N 3.09Å; M116-K120 WeakPolarHBondContact O-CG 3.46Å; M116-K120 PolarHBondContact O-N 3.43Å
117	E	96.3	Very high	96.7	Very high	102 Å²	102	97.7 Å²	97.7	48%	0.477	51%	0.51	S	S	.	.	H	α-helix	trans	-67.9	-46.6	174.8	-71.3	167.3	-176.6	0	0	110.7	K113 S114 T115 V119 K120 S121	K113-E117 WeakPolarHBondContact CE-OE1 3.49Å; K113-E117 PolarHBondContact O-N 3.39Å; K113-E117 VanDerWaalsContact O-N 3.09Å; S114-E117 WeakPolarHBondContact O-CB 3.27Å; S114-E117 PolarHBondContact O-N 3.25Å; S114-E117 VanDerWaalsContact O-N 3.14Å; T115-E117 VanDerWaalsContact C-N 3.3Å; T115-E117 PolarHBondContact O-N 2.96Å; E117-V119 VanDerWaalsContact C-N 3.33Å; E117-V119 PolarHBondContact O-N 3.44Å; E117-K120 WeakPolarHBondContact O-CB 3.49Å; E117-K120 PolarHBondContact O-N 3.37Å; E117-K120 VanDerWaalsContact O-N 3.13Å; E117-S121 PolarHBondContact O-N 2.82Å; E117-S121 VanDerWaalsContact O-N 3.13Å; E117-S121 PolarHBondContact O-OG 3.15Å
118	T	96.2	Very high	96.6	Very high	75 Å²	75	97.5 Å²	97.5	46%	0.46	51%	0.509	S	S	.	.	H	α-helix	trans	-59.6	-41.9	175.7	-53.4	0	0	0	0	112.4	S114 T115 K120 S121 L122	S114-T118 PolarHBondContact O-N 3.16Å; S114-T118 PolarHBondContact O-OG1 2.96Å; T115-T118 PolarHBondContact O-N 2.98Å; T118-K120 VanDerWaalsContact C-N 3.3Å; T118-K120 PolarHBondContact O-N 3.41Å; T118-S121 PolarHBondContact O-N 3.02Å; T118-L122 HydrophobicContact CG2-CD1 4.3Å; T118-L122 HydrophobicContact CG2-CG 4.46Å; T118-L122 WeakPolarHBondContact O-CG 3.41Å; T118-L122 PolarHBondContact O-N 3.26Å
119	V	96.2	Very high	96.6	Very high	78 Å²	78	100.1 Å²	100.1	47%	0.473	51%	0.512	S	S	.	.	H	α-helix	trans	-61.2	-39.5	177.2	168.2	0	0	0	0	111	T115 E117 L122 T123	T115-V119 HydrophobicContact CG2-CG2 4.39Å; T115-V119 WeakPolarHBondContact O-CB 3.49Å; T115-V119 VanDerWaalsContact O-CG2 3.26Å; T115-V119 WeakPolarHBondContact O-CG2 3.26Å; T115-V119 PolarHBondContact O-N 2.66Å; E117-V119 VanDerWaalsContact C-N 3.33Å; E117-V119 PolarHBondContact O-N 3.44Å; V119-L122 PolarHBondContact O-N 3.17Å; V119-T123 WeakPolarHBondContact O-CG2 3.41Å; V119-T123 PolarHBondContact O-N 3.14Å
120	K	95.6	Very high	96.6	Very high	132 Å²	132	97.4 Å²	97.4	57%	0.574	51%	0.509	S	S	*	.	H	α-helix	trans	-62.1	-48.3	174.9	-71.6	174.5	-180	-178.1	0	111.5	M116 E117 T118 L122 T123 E124	M116-K120 WeakPolarHBondContact O-CG 3.46Å; M116-K120 PolarHBondContact O-N 3.43Å; E117-K120 WeakPolarHBondContact O-CB 3.49Å; E117-K120 PolarHBondContact O-N 3.37Å; E117-K120 VanDerWaalsContact O-N 3.13Å; T118-K120 VanDerWaalsContact C-N 3.3Å; T118-K120 PolarHBondContact O-N 3.41Å; K120-L122 VanDerWaalsContact C-N 3.3Å; K120-L122 PolarHBondContact O-N 3.13Å; K120-T123 PolarHBondContact O-N 3.05Å; K120-T123 VanDerWaalsContact O-N 3.14Å; K120-T123 PolarHBondContact O-OG1 3.05Å; K120-E124 PolarHBondContact O-N 3.35Å; K120-E124 VanDerWaalsContact O-N 3.17Å
121	S	96	Very high	96.6	Very high	61 Å²	61	99.1 Å²	99.1	43%	0.427	51%	0.511	S	S	.	.	H	α-helix	trans	-61.4	-37.2	177	-57.4	0	0	0	0	112.5	E117 T118 T123 E124 L125	E117-S121 PolarHBondContact O-N 2.82Å; E117-S121 VanDerWaalsContact O-N 3.13Å; E117-S121 PolarHBondContact O-OG 3.15Å; T118-S121 PolarHBondContact O-N 3.02Å; S121-T123 PolarHBondContact O-N 2.89Å; S121-E124 PolarHBondContact O-N 3.34Å; S121-L125 WeakPolarHBondContact O-CG 3.4Å; S121-L125 PolarHBondContact O-N 2.88Å
122	L	96.2	Very high	96.6	Very high	90 Å²	90	98.4 Å²	98.4	47%	0.471	51%	0.507	S	S	.	.	H	α-helix	trans	-61.6	-43	174	-76	172.5	0	0	0	111.8	T118 V119 K120 E124 L125 E126	T118-L122 HydrophobicContact CG2-CD1 4.3Å; T118-L122 HydrophobicContact CG2-CG 4.46Å; T118-L122 WeakPolarHBondContact O-CG 3.41Å; T118-L122 PolarHBondContact O-N 3.26Å; V119-L122 PolarHBondContact O-N 3.17Å; K120-L122 VanDerWaalsContact C-N 3.3Å; K120-L122 PolarHBondContact O-N 3.13Å; L122-E124 PolarHBondContact O-N 3.37Å; L122-L125 PolarHBondContact O-N 3.42Å; L122-E126 WeakPolarHBondContact O-CG 3.43Å; L122-E126 PolarHBondContact O-N 3.31Å
123	T	95.7	Very high	96.6	Very high	54 Å²	54	99 Å²	99	33%	0.331	51%	0.507	S	S	.	.	H	α-helix	trans	-65.6	-26.2	177.1	61.1	0	0	0	0	113.4	V119 K120 S121 R127	V119-T123 WeakPolarHBondContact O-CG2 3.41Å; V119-T123 PolarHBondContact O-N 3.14Å; K120-T123 PolarHBondContact O-N 3.05Å; K120-T123 VanDerWaalsContact O-N 3.14Å; K120-T123 PolarHBondContact O-OG1 3.05Å; S121-T123 PolarHBondContact O-N 2.89Å; T123-R127 WeakPolarHBondContact O-CG 3.47Å; T123-R127 PolarHBondContact O-N 3.22Å
124	E	96.1	Very high	96.6	Very high	107 Å²	107	95.5 Å²	95.5	50%	0.5	50%	0.5	S	S	.	.	H	α-helix	trans	-73.1	-46.9	172.9	-69.8	167.6	176	0	0	110.6	K120 S121 L122 E126 R127 E128	K120-E124 PolarHBondContact O-N 3.35Å; K120-E124 VanDerWaalsContact O-N 3.17Å; S121-E124 PolarHBondContact O-N 3.34Å; L122-E124 PolarHBondContact O-N 3.37Å; E124-E126 VanDerWaalsContact C-N 3.31Å; E124-E126 PolarHBondContact O-N 3.08Å; E124-R127 WeakPolarHBondContact O-CB 3.42Å; E124-R127 PolarHBondContact O-N 3.47Å; E124-R127 VanDerWaalsContact O-N 3.08Å; E124-E128 PolarHBondContact O-N 3.24Å
125	L	96.4	Very high	96.6	Very high	98 Å²	98	97.4 Å²	97.4	51%	0.513	50%	0.502	S	S	.	.	H	α-helix	trans	-60.3	-38.2	175.7	-70.8	172.1	0	0	0	112.7	S121 L122 R127 E128 Q129	S121-L125 WeakPolarHBondContact O-CG 3.4Å; S121-L125 PolarHBondContact O-N 2.88Å; L122-L125 PolarHBondContact O-N 3.42Å; L125-R127 VanDerWaalsContact C-N 3.29Å; L125-R127 PolarHBondContact O-N 3.49Å; L125-E128 PolarHBondContact O-N 3.03Å; L125-Q129 VanDerWaalsContact O-CB 3.31Å; L125-Q129 WeakPolarHBondContact O-CB 3.46Å; L125-Q129 PolarHBondContact O-N 3.24Å
126	E	96.9	Very high	96.7	Very high	124 Å²	124	97.2 Å²	97.2	58%	0.579	50%	0.5	S	S	*	.	H	α-helix	trans	-61.5	-36.9	174.9	-76.2	175.6	166.7	0	0	112.2	L122 E124 S130	L122-E126 WeakPolarHBondContact O-CG 3.43Å; L122-E126 PolarHBondContact O-N 3.31Å; E124-E126 VanDerWaalsContact C-N 3.31Å; E124-E126 PolarHBondContact O-N 3.08Å; E126-S130 PolarHBondContact O-N 3.16Å; E126-S130 VanDerWaalsContact O-N 3.08Å
127	R	96.7	Very high	96.7	Very high	166 Å²	166	94.6 Å²	94.6	63%	0.626	50%	0.496	S	S	*	.	H	α-helix	trans	-69.2	-46.2	175	-69.5	177.4	-173.2	130.2	2.8	111.4	T123 E124 L125 Q129 S130 V131	T123-R127 WeakPolarHBondContact O-CG 3.47Å; T123-R127 PolarHBondContact O-N 3.22Å; E124-R127 WeakPolarHBondContact O-CB 3.42Å; E124-R127 PolarHBondContact O-N 3.47Å; E124-R127 VanDerWaalsContact O-N 3.08Å; L125-R127 VanDerWaalsContact C-N 3.29Å; L125-R127 PolarHBondContact O-N 3.49Å; R127-Q129 VanDerWaalsContact C-N 3.31Å; R127-Q129 PolarHBondContact O-N 2.9Å; R127-S130 WeakPolarHBondContact O-CB 3.37Å; R127-S130 PolarHBondContact O-N 3.41Å; R127-S130 VanDerWaalsContact O-N 3.16Å; R127-V131 WeakPolarHBondContact O-CG2 3.47Å; R127-V131 PolarHBondContact O-N 3.47Å
128	E	96.5	Very high	96.8	Very high	117 Å²	117	94.7 Å²	94.7	55%	0.547	50%	0.5	S	S	.	.	H	α-helix	trans	-59.9	-42.9	176.7	-69.6	178.7	-176.7	0	0	111.4	E124 L125 S130 V131 L132	E124-E128 PolarHBondContact O-N 3.24Å; L125-E128 PolarHBondContact O-N 3.03Å; E128-S130 VanDerWaalsContact C-N 3.31Å; E128-S130 PolarHBondContact O-N 3.08Å; E128-V131 PolarHBondContact O-N 2.95Å; E128-L132 WeakPolarHBondContact O-CG 3.38Å; E128-L132 PolarHBondContact O-N 3.03Å
129	Q	96.8	Very high	96.8	Very high	110 Å²	110	95.9 Å²	95.9	51%	0.514	51%	0.507	S	S	.	.	H	α-helix	trans	-59.8	-42	175.1	-174.8	-179.4	10.2	0	0	111.6	L125 R127 L132 Q133	L125-Q129 VanDerWaalsContact O-CB 3.31Å; L125-Q129 WeakPolarHBondContact O-CB 3.46Å; L125-Q129 PolarHBondContact O-N 3.24Å; R127-Q129 VanDerWaalsContact C-N 3.31Å; R127-Q129 PolarHBondContact O-N 2.9Å; Q129-L132 PolarHBondContact O-N 3.37Å; Q129-Q133 WeakPolarHBondContact O-CB 3.48Å; Q129-Q133 VanDerWaalsContact O-CG 3.28Å; Q129-Q133 WeakPolarHBondContact O-CG 3.41Å; Q129-Q133 PolarHBondContact O-N 2.64Å
130	S	97.4	Very high	96.9	Very high	74 Å²	74	99.1 Å²	99.1	52%	0.517	51%	0.514	S	S	.	.	H	α-helix	trans	-63.9	-40.5	177.2	-176.9	0	0	0	0	112.3	E126 R127 E128 Q133 S134	E126-S130 PolarHBondContact O-N 3.16Å; E126-S130 VanDerWaalsContact O-N 3.08Å; R127-S130 WeakPolarHBondContact O-CB 3.37Å; R127-S130 PolarHBondContact O-N 3.41Å; R127-S130 VanDerWaalsContact O-N 3.16Å; E128-S130 VanDerWaalsContact C-N 3.31Å; E128-S130 PolarHBondContact O-N 3.08Å; S130-Q133 PolarHBondContact O-N 3.45Å; S130-S134 PolarHBondContact O-N 3.45Å
131	V	97.6	Very high	96.9	Very high	77 Å²	77	98.3 Å²	98.3	47%	0.467	51%	0.511	S	S	.	.	H	α-helix	trans	-62.7	-52.1	175.2	174	0	0	0	0	110.4	R127 E128 Q133 S134 E135	R127-V131 WeakPolarHBondContact O-CG2 3.47Å; R127-V131 PolarHBondContact O-N 3.47Å; E128-V131 PolarHBondContact O-N 2.95Å; V131-Q133 VanDerWaalsContact C-N 3.28Å; V131-Q133 PolarHBondContact O-N 2.85Å; V131-S134 WeakPolarHBondContact O-CB 3.26Å; V131-S134 PolarHBondContact O-N 2.99Å; V131-S134 PolarHBondContact O-OG 3.47Å; V131-E135 PolarHBondContact O-N 2.92Å
132	L	97.3	Very high	96.9	Very high	104 Å²	104	99.4 Å²	99.4	55%	0.545	51%	0.509	S	S	.	.	H	α-helix	trans	-59.7	-37.8	179.1	-72.3	171.9	0	0	0	112.5	E128 Q129 S134 E135 V136	E128-L132 WeakPolarHBondContact O-CG 3.38Å; E128-L132 PolarHBondContact O-N 3.03Å; Q129-L132 PolarHBondContact O-N 3.37Å; L132-S134 VanDerWaalsContact C-N 3.31Å; L132-S134 PolarHBondContact O-N 3.01Å; L132-E135 PolarHBondContact O-N 2.94Å; L132-V136 WeakPolarHBondContact O-CB 3.31Å; L132-V136 VanDerWaalsContact O-CG2 3.26Å; L132-V136 WeakPolarHBondContact O-CG2 3.48Å; L132-V136 PolarHBondContact O-N 3.15Å
133	Q	97.8	Very high	96.9	Very high	121 Å²	121	98.8 Å²	98.8	57%	0.565	51%	0.507	S	S	*	.	H	α-helix	trans	-61.8	-39.4	174.8	-79.3	179.8	-6	0	0	112.3	Q129 S130 V131 A137	Q129-Q133 WeakPolarHBondContact O-CB 3.48Å; Q129-Q133 VanDerWaalsContact O-CG 3.28Å; Q129-Q133 WeakPolarHBondContact O-CG 3.41Å; Q129-Q133 PolarHBondContact O-N 2.64Å; S130-Q133 PolarHBondContact O-N 3.45Å; V131-Q133 VanDerWaalsContact C-N 3.28Å; V131-Q133 PolarHBondContact O-N 2.85Å; Q133-A137 PolarHBondContact O-N 3.12Å; Q133-A137 VanDerWaalsContact O-N 3.11Å
134	S	97.3	Very high	96.9	Very high	63 Å²	63	103.1 Å²	103.1	44%	0.441	52%	0.517	S	S	.	.	H	α-helix	trans	-66.5	-44.3	175.6	72.3	0	0	0	0	112.1	S130 V131 L132 V136 A137 D138	S130-S134 PolarHBondContact O-N 3.45Å; V131-S134 WeakPolarHBondContact O-CB 3.26Å; V131-S134 PolarHBondContact O-N 2.99Å; V131-S134 PolarHBondContact O-OG 3.47Å; L132-S134 VanDerWaalsContact C-N 3.31Å; L132-S134 PolarHBondContact O-N 3.01Å; S134-V136 PolarHBondContact O-N 3.45Å; S134-A137 WeakPolarHBondContact O-CB 3.43Å; S134-A137 PolarHBondContact O-N 3.17Å; S134-A137 VanDerWaalsContact O-N 3.12Å; S134-D138 PolarHBondContact O-N 3.29Å
135	E	97.4	Very high	96.9	Very high	103 Å²	103	103.4 Å²	103.4	48%	0.481	51%	0.513	S	S	.	.	H	α-helix	trans	-63.4	-42.1	177.8	-68.1	178.6	174.7	0	0	111.9	V131 L132 A137 D138 V139	V131-E135 PolarHBondContact O-N 2.92Å; L132-E135 PolarHBondContact O-N 2.94Å; E135-A137 VanDerWaalsContact C-N 3.28Å; E135-A137 PolarHBondContact O-N 2.9Å; E135-D138 PolarHBondContact O-N 2.99Å; E135-V139 WeakPolarHBondContact O-CG2 3.38Å; E135-V139 PolarHBondContact O-N 2.86Å
136	V	97.3	Very high	96.8	Very high	75 Å²	75	103.2 Å²	103.2	46%	0.455	51%	0.512	S	S	.	.	H	α-helix	trans	-61.8	-38.1	174.9	168.6	0	0	0	0	111.1	L132 S134 K140	L132-V136 WeakPolarHBondContact O-CB 3.31Å; L132-V136 VanDerWaalsContact O-CG2 3.26Å; L132-V136 WeakPolarHBondContact O-CG2 3.48Å; L132-V136 PolarHBondContact O-N 3.15Å; S134-V136 PolarHBondContact O-N 3.45Å; V136-K140 HydrophobicContact CG1-CD 4.18Å; V136-K140 WeakPolarHBondContact O-CB 3.28Å; V136-K140 VanDerWaalsContact O-CG 3.26Å; V136-K140 WeakPolarHBondContact O-CG 3.41Å; V136-K140 PolarHBondContact O-N 3.39Å
137	A	97.6	Very high	96.7	Very high	55 Å²	55	106 Å²	106	46%	0.455	52%	0.518	S	S	.	.	H	α-helix	trans	-64.7	-41.5	175.8	0	0	0	0	0	111.5	Q133 S134 E135 K140 K141	Q133-A137 PolarHBondContact O-N 3.12Å; Q133-A137 VanDerWaalsContact O-N 3.11Å; S134-A137 WeakPolarHBondContact O-CB 3.43Å; S134-A137 PolarHBondContact O-N 3.17Å; S134-A137 VanDerWaalsContact O-N 3.12Å; E135-A137 VanDerWaalsContact C-N 3.28Å; E135-A137 PolarHBondContact O-N 2.9Å; A137-K140 PolarHBondContact O-N 3.4Å; A137-K141 WeakPolarHBondContact O-CB 3.34Å; A137-K141 PolarHBondContact O-N 3.2Å
138	D	97.4	Very high	96.5	Very high	105 Å²	105	105.1 Å²	105.1	56%	0.561	51%	0.514	S	S	*	.	H	α-helix	trans	-66.3	-44.9	176.5	-75.3	-25.5	0	0	0	112.3	S134 E135 K140 K141 E142	S134-D138 PolarHBondContact O-N 3.29Å; E135-D138 PolarHBondContact O-N 2.99Å; D138-K140 VanDerWaalsContact C-N 3.31Å; D138-K140 PolarHBondContact O-N 3.4Å; D138-K141 WeakPolarHBondContact O-CB 3.26Å; D138-K141 PolarHBondContact O-N 3.11Å; D138-K141 VanDerWaalsContact O-N 3.15Å; D138-E142 PolarHBondContact O-N 2.96Å
139	V	97.2	Very high	96.2	Very high	99 Å²	99	106.4 Å²	106.4	60%	0.6	52%	0.524	S	S	*	.	H	α-helix	trans	-60.8	-41.1	175	171.6	0	0	0	0	111	E135 E142 N143	E135-V139 WeakPolarHBondContact O-CG2 3.38Å; E135-V139 PolarHBondContact O-N 2.86Å; V139-E142 PolarHBondContact O-N 3.49Å; V139-N143 WeakPolarHBondContact O-CB 3.38Å; V139-N143 PolarHBondContact O-N 3.01Å
140	K	97.3	Very high	95.3	Very high	146 Å²	146	109.9 Å²	109.9	64%	0.635	55%	0.552	S	S	*	*	H	α-helix	trans	-62.1	-42.6	174.8	-79	175.7	179	179.3	0	111.8	V136 A137 D138 E142 N143 W144	V136-K140 HydrophobicContact CG1-CD 4.18Å; V136-K140 WeakPolarHBondContact O-CB 3.28Å; V136-K140 VanDerWaalsContact O-CG 3.26Å; V136-K140 WeakPolarHBondContact O-CG 3.41Å; V136-K140 PolarHBondContact O-N 3.39Å; A137-K140 PolarHBondContact O-N 3.4Å; D138-K140 VanDerWaalsContact C-N 3.31Å; D138-K140 PolarHBondContact O-N 3.4Å; K140-E142 VanDerWaalsContact C-N 3.35Å; K140-N143 PolarHBondContact O-N 3.29Å; K140-W144 WeakPolarHBondContact O-CB 3.22Å; K140-W144 PolarHBondContact O-N 3.36Å
141	K	96.8	Very high	95.2	Very high	115 Å²	115	111.7 Å²	111.7	50%	0.5	55%	0.554	S	S	.	*	H	α-helix	trans	-63.1	-41	177.1	-175.5	-179	-179.9	-179	0	111.6	A137 D138 W144 R145	A137-K141 WeakPolarHBondContact O-CB 3.34Å; A137-K141 PolarHBondContact O-N 3.2Å; D138-K141 WeakPolarHBondContact O-CB 3.26Å; D138-K141 PolarHBondContact O-N 3.11Å; D138-K141 VanDerWaalsContact O-N 3.15Å; K141-W144 PolarHBondContact O-N 2.92Å; K141-R145 WeakPolarHBondContact O-CG 3.44Å; K141-R145 PolarHBondContact O-N 3.14Å; K141-R145 VanDerWaalsContact O-N 3.14Å
142	E	95.8	Very high	95	Very high	84 Å²	84	113.5 Å²	113.5	39%	0.393	56%	0.559	S	S	.	*	H	α-helix	trans	-71.3	-42.7	177.9	-166.4	55.3	-147.4	0	0	112.1	D138 V139 K140 W144 R145 L146	D138-E142 PolarHBondContact O-N 2.96Å; V139-E142 PolarHBondContact O-N 3.49Å; K140-E142 VanDerWaalsContact C-N 3.35Å; E142-W144 VanDerWaalsContact C-N 3.26Å; E142-W144 PolarHBondContact O-N 3.49Å; E142-R145 WeakPolarHBondContact O-CA 3.43Å; E142-R145 WeakPolarHBondContact O-CB 3.5Å; E142-R145 PolarHBondContact O-N 2.85Å; E142-R145 WeakPolarHBondContact OE2-CD 3.5Å; E142-R145 IonicContact OE2-CZ 3.88Å; E142-R145 IonicContact OE2-NE 2.65Å; E142-R145 IonicContact OE2-NH1 2.78Å; E142-R145 PolarHBondContact OE2-NH1 3.5Å; E142-L146 WeakPolarHBondContact O-CG 3.35Å; E142-L146 PolarHBondContact O-N 2.96Å
143	N	96.1	Very high	94.9	Very high	77 Å²	77	114 Å²	114	41%	0.412	56%	0.56	S	S	.	*	H	α-helix	trans	-57	-41.8	173.4	-164.6	-73.9	0	0	0	111.4	V139 K140 R145 L146 R147	V139-N143 WeakPolarHBondContact O-CB 3.38Å; V139-N143 PolarHBondContact O-N 3.01Å; K140-N143 PolarHBondContact O-N 3.29Å; N143-R145 VanDerWaalsContact C-N 3.33Å; N143-R145 PolarHBondContact O-N 2.88Å; N143-L146 PolarHBondContact O-N 2.99Å; N143-R147 WeakPolarHBondContact O-CG 3.5Å; N143-R147 PolarHBondContact O-N 3.05Å; N143-R147 PolarHBondContact OD1-NE 3.01Å
144	W	95.6	Very high	94.7	Very high	146 Å²	146	113.6 Å²	113.6	55%	0.553	56%	0.559	S	S	*	*	H	α-helix	trans	-65.1	-33	175.4	180	79	0	0	0	113.5	K140 K141 E142 R148	K140-W144 WeakPolarHBondContact O-CB 3.22Å; K140-W144 PolarHBondContact O-N 3.36Å; K141-W144 PolarHBondContact O-N 2.92Å; E142-W144 VanDerWaalsContact C-N 3.26Å; E142-W144 PolarHBondContact O-N 3.49Å; W144-R148 VanDerWaalsContact CE3-NH2 3.29Å; W144-R148 VanDerWaalsContact CH2-NH2 3.35Å; W144-R148 PolarHBondContact O-NE 3.37Å
145	R	95.2	Very high	94.6	Very high	112 Å²	112	116.8 Å²	116.8	42%	0.423	57%	0.567	S	S	.	*	H	α-helix	trans	-67.5	-47.8	172.5	-72.5	165.6	171.1	-178.7	-5.5	111.5	K141 E142 N143 R147 R148	K141-R145 WeakPolarHBondContact O-CG 3.44Å; K141-R145 PolarHBondContact O-N 3.14Å; K141-R145 VanDerWaalsContact O-N 3.14Å; E142-R145 WeakPolarHBondContact O-CA 3.43Å; E142-R145 WeakPolarHBondContact O-CB 3.5Å; E142-R145 PolarHBondContact O-N 2.85Å; E142-R145 WeakPolarHBondContact OE2-CD 3.5Å; E142-R145 IonicContact OE2-CZ 3.88Å; E142-R145 IonicContact OE2-NE 2.65Å; E142-R145 IonicContact OE2-NH1 2.78Å; E142-R145 PolarHBondContact OE2-NH1 3.5Å; N143-R145 VanDerWaalsContact C-N 3.33Å; N143-R145 PolarHBondContact O-N 2.88Å; R145-R147 VanDerWaalsContact C-N 3.33Å; R145-R147 PolarHBondContact O-N 3.42Å; R145-R148 WeakPolarHBondContact O-CB 3.34Å; R145-R148 PolarHBondContact O-N 2.99Å
146	L	95	Very high	94.4	Very high	94 Å²	94	117.7 Å²	117.7	49%	0.492	57%	0.572	S	S	.	*	H	α-helix	trans	-60.9	-41.1	179.5	-67.6	174.2	0	0	0	112.2	E142 N143 R148 L149	E142-L146 WeakPolarHBondContact O-CG 3.35Å; E142-L146 PolarHBondContact O-N 2.96Å; N143-L146 PolarHBondContact O-N 2.99Å; L146-R148 PolarHBondContact O-N 3.1Å; L146-R148 VanDerWaalsContact O-N 3.1Å; L146-L149 PolarHBondContact O-N 3.46Å
147	R	94.3	Very high	94.2	Very high	183 Å²	183	120.7 Å²	120.7	69%	0.691	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.4	-14.9	175	-75.9	-178.5	-174.8	-131.7	-0.7	114.7	N143 R145	N143-R147 WeakPolarHBondContact O-CG 3.5Å; N143-R147 PolarHBondContact O-N 3.05Å; N143-R147 PolarHBondContact OD1-NE 3.01Å; R145-R147 VanDerWaalsContact C-N 3.33Å; R145-R147 PolarHBondContact O-N 3.42Å
148	R	93	Very high	93.9	Very high	147 Å²	147	125.8 Å²	125.8	56%	0.555	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	-7.4	175.3	-70.7	-174.6	-69.9	156.2	8.8	113.2	W144 R145 L146	W144-R148 VanDerWaalsContact CE3-NH2 3.29Å; W144-R148 VanDerWaalsContact CH2-NH2 3.35Å; W144-R148 PolarHBondContact O-NE 3.37Å; R145-R148 WeakPolarHBondContact O-CB 3.34Å; R145-R148 PolarHBondContact O-N 2.99Å; L146-R148 PolarHBondContact O-N 3.1Å; L146-R148 VanDerWaalsContact O-N 3.1Å
149	L	90.2	Very high	93.6	Very high	145 Å²	145	127.5 Å²	127.5	76%	0.759	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	-16.4	178.4	-63.4	175.5	0	0	0	113.1	L146	L146-L149 PolarHBondContact O-N 3.46Å
150	V	77.3	Confident	93.3	Very high	182 Å²	182	130.1 Å²	130.1	100%	1.103	59%	0.592	S	S	*	*			trans	-100.1	0	173.7	-176	0	0	0	0	108.7

Retrieved 150 of 150 residues in 900.9 ms (Link to these results)

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