G4VL25_SCHMA Loading...

Elongin-C

AlphaFold DB , UniProt , Accession G4VL25, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 118 aa.

						>G4VL25_SCHMA|G4VL25
MTEVQSSAGAEQKYGGAEGADAMYVKLVSSDDHEFYVRREHALTSGTIKAMLSGPGQFQENETNVVHFREIPSHVLQKVCSYFAYKVRYTNSSSEIPEFPIAPEISLELLMAANFLDC
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.2	Very low	46.4	Very low	242 Å²	242	143.2 Å²	143.2	100%	1.192	86%	0.856	S	S	*	*				0	97.6	0	-131	159.5	174.8	0	0	105.3	E3	M1-E3 PolarHBondContact O-N 3.22Å
2	T	46.7	Very low	47.3	Very low	141 Å²	141	142.3 Å²	142.3	87%	0.865	84%	0.836	S	S	*	*			trans	-76.4	103.3	179.8	28.9	0	0	0	0	108.1	V4	T2-V4 PolarHBondContact O-N 3.1Å
3	E	41.7	Very low	48.9	Very low	186 Å²	186	144.2 Å²	144.2	87%	0.869	83%	0.828	S	S	*	*			trans	-65	107.1	163.7	-70.7	176	139.4	0	0	107.4	M1 Q5	M1-E3 PolarHBondContact O-N 3.22Å; E3-Q5 PolarHBondContact O-N 3.17Å; E3-Q5 VanDerWaalsContact O-N 3.1Å
4	V	46.9	Very low	50.3	Low	140 Å²	140	144.2 Å²	144.2	85%	0.848	81%	0.809	S	S	*	*			trans	-69.9	104.7	168.3	-80.8	0	0	0	0	107.3	T2 S6	T2-V4 PolarHBondContact O-N 3.1Å; V4-S6 PolarHBondContact O-N 3.25Å
5	Q	42.3	Very low	52.1	Low	187 Å²	187	136.1 Å²	136.1	87%	0.874	77%	0.771	S	S	*	*			trans	-54.5	117.9	174.5	-76.8	173.4	-5	0	0	109.8	E3 S7	E3-Q5 PolarHBondContact O-N 3.17Å; E3-Q5 VanDerWaalsContact O-N 3.1Å; Q5-S7 PolarHBondContact O-N 3.2Å
6	S	46.1	Very low	53.9	Low	107 Å²	107	129.9 Å²	129.9	75%	0.748	75%	0.746	S	S	*	*			trans	-52.9	119.4	161.7	47.7	0	0	0	0	109.1	V4 A8	V4-S6 PolarHBondContact O-N 3.25Å; S6-A8 VanDerWaalsContact C-N 3.28Å; S6-A8 PolarHBondContact O-N 2.81Å
7	S	46.1	Very low	55.4	Low	126 Å²	126	123.9 Å²	123.9	88%	0.881	72%	0.716	S	S	*	*			trans	-62.8	87	173.3	52.1	0	0	0	0	110.4	Q5	Q5-S7 PolarHBondContact O-N 3.2Å
8	A	44.5	Very low	56.7	Low	97 Å²	97	126.9 Å²	126.9	80%	0.802	72%	0.722	S	S	*	*			trans	-91.9	121.6	165.5	0	0	0	0	0	108.2	S6	S6-A8 VanDerWaalsContact C-N 3.28Å; S6-A8 PolarHBondContact O-N 2.81Å
9	G	45.5	Very low	57.6	Low	71 Å²	71	121.9 Å²	121.9	73%	0.732	70%	0.702	S	S	*	*			trans	130.9	12.6	160.6	0	0	0	0	0	118.5	E11	G9-E11 PolarHBondContact O-N 3.18Å
10	A	52.7	Low	58.4	Low	85 Å²	85	118.9 Å²	118.9	70%	0.702	69%	0.692	S	S	*	*			trans	-72.5	107.1	155.9	0	0	0	0	0	106.5	Q12	A10-Q12 PolarHBondContact O-N 3.16Å
11	E	52.8	Low	59.2	Low	193 Å²	193	121 Å²	121	90%	0.902	70%	0.701	S	S	*	*			trans	-55.5	94.6	164.3	-74	178.6	130.4	0	0	107	G9 K13	G9-E11 PolarHBondContact O-N 3.18Å; E11-K13 PolarHBondContact O-N 3.19Å
12	Q	56.7	Low	61.1	Low	133 Å²	133	109.9 Å²	109.9	62%	0.621	65%	0.647	S	S	*	*			trans	-71.3	72.4	-176.3	-170.6	78.6	58.8	0	0	107.8	A10 Y14	A10-Q12 PolarHBondContact O-N 3.16Å; Q12-Y14 VanDerWaalsContact CG-O 3.28Å; Q12-Y14 WeakPolarHBondContact CG-O 3.47Å; Q12-Y14 PolarHBondContact NE2-O 2.74Å; Q12-Y14 PolarHBondContact O-N 3.4Å; Q12-Y14 VanDerWaalsContact O-N 3.11Å
13	K	68.8	Low	63.2	Low	167 Å²	167	106.9 Å²	106.9	73%	0.726	62%	0.624	S	S	*	*	S	Bend	trans	-55.7	-29	-177.1	-179.1	177.1	178.5	-178.4	0	112.3	E11	E11-K13 PolarHBondContact O-N 3.19Å
14	Y	67.7	Low	65.7	Low	144 Å²	144	100 Å²	100	57%	0.565	59%	0.59	S	S	*	*	S	Bend	trans	-121.7	112.8	173.2	-49.8	-82.6	0	0	0	104.9	Q12	Q12-Y14 VanDerWaalsContact CG-O 3.28Å; Q12-Y14 WeakPolarHBondContact CG-O 3.47Å; Q12-Y14 PolarHBondContact NE2-O 2.74Å; Q12-Y14 PolarHBondContact O-N 3.4Å; Q12-Y14 VanDerWaalsContact O-N 3.11Å
15	G	77.3	Confident	67.9	Low	23 Å²	23	93.3 Å²	93.3	24%	0.237	55%	0.55	C	S	.	*			trans	-50	166.8	-177.3	0	0	0	0	0	113.8	Y24	G15-Y24 WeakPolarHBondContact O-CD2 3.46Å
16	G	81.1	Confident	70.4	Confident	36 Å²	36	86.3 Å²	86.3	37%	0.371	52%	0.517	S	S	.	.			trans	-66.2	163.6	-179.3	0	0	0	0	0	114.1	A22 M23 Y24	G16-A22 WeakPolarHBondContact O-CB 3.29Å; G16-M23 PolarHBondContact O-N 3.25Å; G16-Y24 PolarHBondContact O-N 3.17Å
17	A	80.5	Confident	72.7	Confident	28 Å²	28	81.2 Å²	81.2	23%	0.231	48%	0.481	C	S	.	.	S	Bend	trans	-107.7	1	172.3	0	0	0	0	0	112.9	A22 Y36 N64	A17-A22 VanDerWaalsContact C-CB 3.42Å; A17-Y36 HydrophobicContact CB-CD1 4.18Å; A17-Y36 HydrophobicContact CB-CE1 4.14Å; A17-N64 WeakPolarHBondContact O-CB 3.32Å; A17-N64 PolarHBondContact O-ND2 3.4Å
18	E	78.2	Confident	75.2	Confident	178 Å²	178	75.6 Å²	75.6	83%	0.832	44%	0.441	S	S	*	.	S	Bend	trans	-108.7	141.8	-174.4	-62.9	-179.3	175.8	0	0	111.6
19	G	73.9	Confident	77.7	Confident	32 Å²	32	71.1 Å²	71.1	33%	0.33	41%	0.405	S	S	.	.	S	Bend	trans	83.6	161	177.8	0	0	0	0	0	115	D21 A22 E62 N64	G19-D21 PolarHBondContact O-N 3.42Å; G19-A22 VanDerWaalsContact O-CB 3.27Å; G19-A22 WeakPolarHBondContact O-CB 3.4Å; G19-A22 PolarHBondContact O-N 2.72Å; G19-E62 PolarHBondContact N-O 2.87Å; G19-N64 PolarHBondContact N-ND2 3.47Å; G19-N64 VanDerWaalsContact N-ND2 3.19Å; G19-N64 PolarHBondContact O-ND2 2.87Å; G19-N64 PolarHBondContact O-OD1 2.68Å
20	A	73.2	Confident	80.2	Confident	62 Å²	62	70.3 Å²	70.3	51%	0.512	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-30.9	-169.3	0	0	0	0	0	115.2	R39	A20-R39 PolarHBondContact O-NH1 3.33Å
21	D	75.6	Confident	82.3	Confident	164 Å²	164	70.1 Å²	70.1	88%	0.877	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.2	17.6	-177.3	-60.8	-49	0	0	0	113.6	G19	G19-D21 PolarHBondContact O-N 3.42Å
22	A	85.3	Confident	84.4	Confident	8 Å²	8	67.4 Å²	67.4	7%	0.066	37%	0.366	C	S	.	.			trans	-57.2	140.1	177.6	0	0	0	0	0	112.4	G16 A17 G19 Y24 N64	G16-A22 WeakPolarHBondContact O-CB 3.29Å; A17-A22 VanDerWaalsContact C-CB 3.42Å; G19-A22 VanDerWaalsContact O-CB 3.27Å; G19-A22 WeakPolarHBondContact O-CB 3.4Å; G19-A22 PolarHBondContact O-N 2.72Å; A22-Y24 VanDerWaalsContact C-N 3.25Å; A22-Y24 WeakPolarHBondContact CB-O 3.26Å; A22-Y24 PolarHBondContact O-N 3.49Å; A22-N64 VanDerWaalsContact CB-ND2 3.26Å; A22-N64 WeakPolarHBondContact CB-ND2 3.02Å
23	M	90.6	Very high	86.4	Confident	78 Å²	78	65.8 Å²	65.8	38%	0.384	36%	0.358	S	S	.	.	S	Bend	trans	-69.7	-28.1	177.8	-173.9	-177.6	-178.4	0	0	111.5	G16 R38 R39	G16-M23 PolarHBondContact O-N 3.25Å; M23-R38 CarbonylContact O-C 3.56Å; M23-R38 WeakPolarHBondContact O-CA 3.26Å; M23-R39 PolarHBondContact O-N 3.11Å
24	Y	93.5	Very high	87.7	Confident	40 Å²	40	62.2 Å²	62.2	16%	0.157	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	152.5	-178.5	-66.2	-91.6	0	0	0	111.5	G15 G16 A22 V37 R38	G15-Y24 WeakPolarHBondContact O-CD2 3.46Å; G16-Y24 PolarHBondContact O-N 3.17Å; A22-Y24 VanDerWaalsContact C-N 3.25Å; A22-Y24 WeakPolarHBondContact CB-O 3.26Å; A22-Y24 PolarHBondContact O-N 3.49Å; Y24-V37 CarbonylContact C-O 3.36Å; Y24-V37 VanDerWaalsContact CA-O 3.29Å; Y24-V37 WeakPolarHBondContact CA-O 3.27Å; Y24-R38 HydrophobicContact CD1-CG 4.12Å; Y24-R38 HydrophobicContact CE1-CG 3.6Å
25	V	93.1	Very high	89.2	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.9	168.9	-56.1	0	0	0	0	108.5	L27 Y36 V37 R39 A42 L52 N64	V25-L27 HydrophobicContact CG2-CD2 4.12Å; V25-L27 HydrophobicContact CG2-CG 4.49Å; V25-Y36 WeakPolarHBondContact O-CA 3.12Å; V25-V37 PolarHBondContact N-O 3.49Å; V25-V37 PolarHBondContact O-N 3.14Å; V25-R39 HydrophobicContact CG1-CB 4.08Å; V25-R39 HydrophobicContact CG1-CG 3.95Å; V25-A42 HydrophobicContact CG2-CB 3.41Å; V25-A42 VanDerWaalsContact CG2-CB 3.41Å; V25-L52 HydrophobicContact CB-CD1 4.47Å; V25-L52 HydrophobicContact CG1-CD1 3.78Å; V25-L52 HydrophobicContact CG1-CD2 4.46Å; V25-N64 HydrophobicContact CB-CB 4.46Å; V25-N64 HydrophobicContact CG1-CB 4.26Å
26	K	94.7	Very high	90	Very high	41 Å²	41	61.3 Å²	61.3	18%	0.178	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	121	175.8	-179.9	-174.1	-65.1	-157.2	0	109	V28 E34 F35 Y36 N64 V65 V66	K26-V28 HydrophobicContact CD-CG2 3.91Å; K26-V28 HydrophobicContact CG-CG2 3.91Å; K26-E34 HydrophobicContact CD-CG 4.23Å; K26-E34 WeakPolarHBondContact CE-OE2 3.28Å; K26-E34 HydrophobicContact CG-CB 4.43Å; K26-E34 IonicContact NZ-OE1 2.86Å; K26-E34 PolarHBondContact NZ-OE1 3Å; K26-E34 IonicContact NZ-OE2 2.9Å; K26-E34 PolarHBondContact NZ-OE2 3.04Å; K26-F35 WeakPolarHBondContact CA-O 3.48Å; K26-Y36 HydrophobicContact CB-CE1 4.34Å; K26-Y36 VanDerWaalsContact CE-CZ 3.46Å; K26-Y36 WeakPolarHBondContact CE-OH 3.23Å; K26-Y36 PolarHBondContact NZ-OH 2.86Å; K26-N64 PolarHBondContact N-O 2.58Å; K26-V65 HydrophobicContact CB-CB 4.44Å; K26-V65 HydrophobicContact CB-CG1 4.25Å; K26-V65 HydrophobicContact CB-CG2 4.08Å; K26-V65 HydrophobicContact CD-CG1 3.85Å; K26-V65 HydrophobicContact CD-CG2 4.01Å; K26-V65 HydrophobicContact CG-CG1 4.13Å; K26-V65 CarbonylContact O-C 3.59Å; K26-V65 WeakPolarHBondContact O-CA 3.42Å; K26-V66 PolarHBondContact O-N 3.46Å
27	L	96	Very high	90.7	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	124.8	171.5	-53.5	-175.6	0	0	0	108.3	V25 F35 V37 I48 V66 F68 L76 F83	V25-L27 HydrophobicContact CG2-CD2 4.12Å; V25-L27 HydrophobicContact CG2-CG 4.49Å; L27-F35 HydrophobicContact CB-CB 4.33Å; L27-F35 PolarHBondContact N-O 2.79Å; L27-F35 PolarHBondContact O-N 2.9Å; L27-V37 HydrophobicContact CD1-CG2 4.01Å; L27-V37 HydrophobicContact CG-CG2 4.48Å; L27-I48 HydrophobicContact CD1-CD1 4.18Å; L27-I48 HydrophobicContact CD2-CD1 4.2Å; L27-V66 HydrophobicContact CD2-CB 3.86Å; L27-V66 HydrophobicContact CD2-CG2 4.23Å; L27-F68 HydrophobicContact CB-CE2 4Å; L27-F68 HydrophobicContact CD1-CE2 4.33Å; L27-F68 HydrophobicContact CD2-CE2 4.02Å; L27-F68 HydrophobicContact CD2-CZ 4.44Å; L27-F68 HydrophobicContact CG-CE2 4.33Å; L27-L76 HydrophobicContact CB-CD2 4.13Å; L27-L76 HydrophobicContact CD1-CD1 4.37Å; L27-F83 HydrophobicContact CD1-CE2 4.16Å
28	V	96.7	Very high	91.3	Very high	7 Å²	7	64 Å²	64	4%	0.042	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	122.6	-178	-172.4	0	0	0	0	108.8	K26 H33 E34 V65 V66 F68	K26-V28 HydrophobicContact CD-CG2 3.91Å; K26-V28 HydrophobicContact CG-CG2 3.91Å; V28-H33 WeakPolarHBondContact CA-O 3.48Å; V28-E34 HydrophobicContact CG2-CG 4.45Å; V28-V65 HydrophobicContact CG2-CG1 3.78Å; V28-V66 PolarHBondContact N-O 3.45Å; V28-F68 PolarHBondContact O-N 3.44Å
29	S	97.8	Very high	92	Very high	4 Å²	4	57.7 Å²	57.7	3%	0.028	30%	0.298	C	S	.	.			trans	-76.1	173.2	176.6	56.3	0	0	0	0	112.6	D31 D32 H33 F68 I71	S29-D31 WeakPolarHBondContact CB-OD1 3.41Å; S29-D31 PolarHBondContact O-N 3Å; S29-D31 PolarHBondContact OG-OD1 2.73Å; S29-D32 PolarHBondContact O-N 3.39Å; S29-D32 VanDerWaalsContact O-N 3.13Å; S29-H33 PolarHBondContact N-O 2.99Å; S29-H33 WeakPolarHBondContact OG-CA 2.97Å; S29-H33 WeakPolarHBondContact OG-CB 3.36Å; S29-H33 PolarHBondContact OG-N 3.25Å; S29-H33 PolarHBondContact OG-O 2.99Å; S29-F68 CarbonylContact C-O 3.53Å; S29-I71 CarbonylContact C-O 3.55Å; S29-I71 WeakPolarHBondContact CA-O 3.19Å; S29-I71 VanDerWaalsContact CB-O 3.27Å; S29-I71 WeakPolarHBondContact CB-O 3.17Å
30	S	97.3	Very high	92.9	Very high	53 Å²	53	61.2 Å²	61.2	37%	0.371	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20	-179.8	62.2	0	0	0	0	113.9	F68 R69 I71 P72	S30-F68 VanDerWaalsContact CA-O 3.28Å; S30-F68 WeakPolarHBondContact CA-O 3.22Å; S30-F68 WeakPolarHBondContact CB-O 3.2Å; S30-F68 PolarHBondContact N-O 3.13Å; S30-R69 WeakPolarHBondContact CB-O 3.41Å; S30-I71 PolarHBondContact N-O 2.55Å; S30-I71 PolarHBondContact OG-O 3.08Å; S30-P72 VanDerWaalsContact OG-CA 3.32Å; S30-P72 WeakPolarHBondContact OG-CA 3.36Å
31	D	97.7	Very high	94	Very high	82 Å²	82	59.6 Å²	59.6	44%	0.439	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102	26.4	174.3	59.2	-16.7	0	0	0	112.5	S29 H33 S73	S29-D31 WeakPolarHBondContact CB-OD1 3.41Å; S29-D31 PolarHBondContact O-N 3Å; S29-D31 PolarHBondContact OG-OD1 2.73Å; D31-H33 PolarHBondContact O-N 3.32Å; D31-H33 VanDerWaalsContact O-N 3.15Å; D31-S73 WeakPolarHBondContact OD1-CA 3.35Å; D31-S73 WeakPolarHBondContact OD1-CB 3.27Å; D31-S73 PolarHBondContact OD1-N 2.71Å; D31-S73 VanDerWaalsContact OD2-CB 3.22Å; D31-S73 WeakPolarHBondContact OD2-CB 3.46Å; D31-S73 PolarHBondContact OD2-N 2.96Å; D31-S73 PolarHBondContact OD2-OG 3.38Å
32	D	97	Very high	94.9	Very high	136 Å²	136	51.8 Å²	51.8	73%	0.727	25%	0.246	S	C	*	.			trans	61.1	20.9	172.5	-60.9	-52.5	0	0	0	115.5	S29	S29-D32 PolarHBondContact O-N 3.39Å; S29-D32 VanDerWaalsContact O-N 3.13Å
33	H	98.2	Very high	95.3	Very high	98 Å²	98	54.4 Å²	54.4	45%	0.454	26%	0.258	S	S	.	.			trans	-80.5	130	173.6	-155.3	98	0	0	0	110.6	V28 S29 D31 F35	V28-H33 WeakPolarHBondContact CA-O 3.48Å; S29-H33 PolarHBondContact N-O 2.99Å; S29-H33 WeakPolarHBondContact OG-CA 2.97Å; S29-H33 WeakPolarHBondContact OG-CB 3.36Å; S29-H33 PolarHBondContact OG-N 3.25Å; S29-H33 PolarHBondContact OG-O 2.99Å; D31-H33 PolarHBondContact O-N 3.32Å; D31-H33 VanDerWaalsContact O-N 3.15Å; H33-F35 HydrophobicContact CB-CE2 3.94Å; H33-F35 HydrophobicContact CB-CZ 4.4Å; H33-F35 AromaticContact CD2-CE1 3.88Å; H33-F35 AromaticContact CD2-CE2 3.53Å; H33-F35 AromaticContact CD2-CZ 3.41Å; H33-F35 VanDerWaalsContact CD2-CZ 3.41Å; H33-F35 WeakPolarHBondContact CD2-CZ 3.21Å
34	E	97.3	Very high	95.4	Very high	92 Å²	92	52 Å²	52	43%	0.43	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	128.7	-179.3	-57.4	-167.1	156.9	0	0	112	K26 V28 Y36	K26-E34 HydrophobicContact CD-CG 4.23Å; K26-E34 WeakPolarHBondContact CE-OE2 3.28Å; K26-E34 HydrophobicContact CG-CB 4.43Å; K26-E34 IonicContact NZ-OE1 2.86Å; K26-E34 PolarHBondContact NZ-OE1 3Å; K26-E34 IonicContact NZ-OE2 2.9Å; K26-E34 PolarHBondContact NZ-OE2 3.04Å; V28-E34 HydrophobicContact CG2-CG 4.45Å; E34-Y36 HydrophobicContact CB-CE2 4.28Å; E34-Y36 PolarHBondContact OE2-OH 2.87Å
35	F	97.4	Very high	95.5	Very high	26 Å²	26	50.1 Å²	50.1	11%	0.114	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	124.9	174	-60.2	-93.9	0	0	0	110.2	K26 L27 H33 V37 L76 Q77	K26-F35 WeakPolarHBondContact CA-O 3.48Å; L27-F35 HydrophobicContact CB-CB 4.33Å; L27-F35 PolarHBondContact N-O 2.79Å; L27-F35 PolarHBondContact O-N 2.9Å; H33-F35 HydrophobicContact CB-CE2 3.94Å; H33-F35 HydrophobicContact CB-CZ 4.4Å; H33-F35 AromaticContact CD2-CE1 3.88Å; H33-F35 AromaticContact CD2-CE2 3.53Å; H33-F35 AromaticContact CD2-CZ 3.41Å; H33-F35 VanDerWaalsContact CD2-CZ 3.41Å; H33-F35 WeakPolarHBondContact CD2-CZ 3.21Å; F35-V37 HydrophobicContact CB-CG2 4.48Å; F35-L76 HydrophobicContact CD2-CB 4.47Å; F35-L76 HydrophobicContact CD2-CD2 3.54Å; F35-L76 HydrophobicContact CD2-CG 3.85Å; F35-L76 HydrophobicContact CE2-CB 4.06Å; F35-L76 HydrophobicContact CE2-CD2 3.78Å; F35-L76 HydrophobicContact CE2-CG 3.96Å; F35-Q77 HydrophobicContact CE1-CB 3.68Å; F35-Q77 HydrophobicContact CE1-CG 4.11Å; F35-Q77 HydrophobicContact CZ-CB 3.92Å
36	Y	95.7	Very high	95.5	Very high	122 Å²	122	51.4 Å²	51.4	48%	0.478	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	110.8	173.6	-66.7	-97.1	0	0	0	109.4	A17 V25 K26 E34	A17-Y36 HydrophobicContact CB-CD1 4.18Å; A17-Y36 HydrophobicContact CB-CE1 4.14Å; V25-Y36 WeakPolarHBondContact O-CA 3.12Å; K26-Y36 HydrophobicContact CB-CE1 4.34Å; K26-Y36 VanDerWaalsContact CE-CZ 3.46Å; K26-Y36 WeakPolarHBondContact CE-OH 3.23Å; K26-Y36 PolarHBondContact NZ-OH 2.86Å; E34-Y36 HydrophobicContact CB-CE2 4.28Å; E34-Y36 PolarHBondContact OE2-OH 2.87Å
37	V	95.2	Very high	95.5	Very high	16 Å²	16	51 Å²	51	10%	0.097	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	141.1	-178.3	-175.3	0	0	0	0	108.4	Y24 V25 L27 F35 R39 H41 A42 C80 F83	Y24-V37 CarbonylContact C-O 3.36Å; Y24-V37 VanDerWaalsContact CA-O 3.29Å; Y24-V37 WeakPolarHBondContact CA-O 3.27Å; V25-V37 PolarHBondContact N-O 3.49Å; V25-V37 PolarHBondContact O-N 3.14Å; L27-V37 HydrophobicContact CD1-CG2 4.01Å; L27-V37 HydrophobicContact CG-CG2 4.48Å; F35-V37 HydrophobicContact CB-CG2 4.48Å; V37-R39 PolarHBondContact O-N 2.72Å; V37-H41 HydrophobicContact CG1-CB 3.81Å; V37-A42 HydrophobicContact CG1-CB 4.34Å; V37-C80 HydrophobicContact CG2-CB 4.05Å; V37-F83 HydrophobicContact CG1-CD2 4.33Å
38	R	94	Very high	95.3	Very high	105 Å²	105	51 Å²	51	40%	0.396	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	137.3	173.4	-72.5	-172.2	178.2	-179.4	-0.8	109.6	M23 Y24 E40 H41 A42	M23-R38 CarbonylContact O-C 3.56Å; M23-R38 WeakPolarHBondContact O-CA 3.26Å; Y24-R38 HydrophobicContact CD1-CG 4.12Å; Y24-R38 HydrophobicContact CE1-CG 3.6Å; R38-E40 HydrophobicContact CB-CG 4.04Å; R38-E40 WeakPolarHBondContact CD-OE1 3.34Å; R38-E40 IonicContact CZ-OE1 3.73Å; R38-E40 IonicContact NE-OE1 3.82Å; R38-E40 IonicContact NH1-OE1 2.84Å; R38-E40 PolarHBondContact NH1-OE1 3.15Å; R38-E40 PolarHBondContact O-N 2.81Å; R38-H41 HydrophobicContact CB-CB 4.45Å; R38-H41 WeakPolarHBondContact CB-ND1 3.37Å; R38-H41 WeakPolarHBondContact O-CB 3.42Å; R38-H41 PolarHBondContact O-N 2.8Å; R38-A42 PolarHBondContact O-N 3.07Å
39	R	92.2	Very high	95.1	Very high	45 Å²	45	56.2 Å²	56.2	17%	0.17	28%	0.277	C	S	.	.	H	α-helix	trans	-51.6	-46.3	178.9	-167.8	-178.7	-165.8	91.1	1.3	111.2	A20 M23 V25 V37 H41 A42 L43 N64	A20-R39 PolarHBondContact O-NH1 3.33Å; M23-R39 PolarHBondContact O-N 3.11Å; V25-R39 HydrophobicContact CG1-CB 4.08Å; V25-R39 HydrophobicContact CG1-CG 3.95Å; V37-R39 PolarHBondContact O-N 2.72Å; R39-H41 PolarHBondContact O-N 2.82Å; R39-H41 VanDerWaalsContact O-N 3.13Å; R39-A42 PolarHBondContact O-N 3.37Å; R39-A42 VanDerWaalsContact O-N 3.15Å; R39-L43 HydrophobicContact CG-CD1 4.2Å; R39-L43 HydrophobicContact CG-CG 4.35Å; R39-L43 VanDerWaalsContact O-CG 3.25Å; R39-L43 WeakPolarHBondContact O-CG 3.4Å; R39-L43 PolarHBondContact O-N 3.43Å; R39-N64 PolarHBondContact NH1-OD1 3.39Å
40	E	92.9	Very high	94.7	Very high	107 Å²	107	58.8 Å²	58.8	50%	0.5	30%	0.299	S	S	.	.	H	α-helix	trans	-54.5	-34.1	178.2	76.4	-170	165.8	0	0	113.7	R38	R38-E40 HydrophobicContact CB-CG 4.04Å; R38-E40 WeakPolarHBondContact CD-OE1 3.34Å; R38-E40 IonicContact CZ-OE1 3.73Å; R38-E40 IonicContact NE-OE1 3.82Å; R38-E40 IonicContact NH1-OE1 2.84Å; R38-E40 PolarHBondContact NH1-OE1 3.15Å; R38-E40 PolarHBondContact O-N 2.81Å
41	H	95.6	Very high	94.3	Very high	28 Å²	28	57.8 Å²	57.8	13%	0.13	29%	0.289	C	S	.	.	H	α-helix	trans	-81.8	-43.6	179.9	-70.6	80.8	0	0	0	110.9	V37 R38 R39 L43 T44 F83 V87	V37-H41 HydrophobicContact CG1-CB 3.81Å; R38-H41 HydrophobicContact CB-CB 4.45Å; R38-H41 WeakPolarHBondContact CB-ND1 3.37Å; R38-H41 WeakPolarHBondContact O-CB 3.42Å; R38-H41 PolarHBondContact O-N 2.8Å; R39-H41 PolarHBondContact O-N 2.82Å; R39-H41 VanDerWaalsContact O-N 3.13Å; H41-L43 PolarHBondContact O-N 3.13Å; H41-T44 WeakPolarHBondContact O-CB 3.43Å; H41-T44 PolarHBondContact O-N 2.92Å; H41-T44 PolarHBondContact O-OG1 3.42Å; H41-F83 HydrophobicContact CB-CB 4.08Å; H41-V87 HydrophobicContact CB-CG2 4.49Å
42	A	94.7	Very high	93.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.8	-32.4	178.8	0	0	0	0	0	112.5	V25 V37 R38 R39 T44 S45 I48	V25-A42 HydrophobicContact CG2-CB 3.41Å; V25-A42 VanDerWaalsContact CG2-CB 3.41Å; V37-A42 HydrophobicContact CG1-CB 4.34Å; R38-A42 PolarHBondContact O-N 3.07Å; R39-A42 PolarHBondContact O-N 3.37Å; R39-A42 VanDerWaalsContact O-N 3.15Å; A42-T44 PolarHBondContact O-N 3.46Å; A42-T44 VanDerWaalsContact O-N 3.09Å; A42-S45 PolarHBondContact O-N 2.84Å; A42-S45 VanDerWaalsContact O-N 3.13Å; A42-I48 HydrophobicContact CB-CG2 4.12Å
43	L	92.9	Very high	92.9	Very high	62 Å²	62	51.2 Å²	51.2	33%	0.325	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-2.2	174.7	-65.7	178.2	0	0	0	114.3	R39 H41 S45 K49 L52	R39-L43 HydrophobicContact CG-CD1 4.2Å; R39-L43 HydrophobicContact CG-CG 4.35Å; R39-L43 VanDerWaalsContact O-CG 3.25Å; R39-L43 WeakPolarHBondContact O-CG 3.4Å; R39-L43 PolarHBondContact O-N 3.43Å; H41-L43 PolarHBondContact O-N 3.13Å; L43-S45 PolarHBondContact O-N 2.83Å; L43-K49 HydrophobicContact CD2-CB 3.76Å; L43-K49 HydrophobicContact CD2-CG 3.92Å; L43-L52 HydrophobicContact CD2-CD1 4.34Å
44	T	94.3	Very high	91.7	Very high	28 Å²	28	47.5 Å²	47.5	17%	0.172	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-26.3	166.9	-58	0	0	0	0	112.1	H41 A42 F83 K86	H41-T44 WeakPolarHBondContact O-CB 3.43Å; H41-T44 PolarHBondContact O-N 2.92Å; H41-T44 PolarHBondContact O-OG1 3.42Å; A42-T44 PolarHBondContact O-N 3.46Å; A42-T44 VanDerWaalsContact O-N 3.09Å; T44-F83 HydrophobicContact CG2-CD1 4.22Å; T44-K86 HydrophobicContact CG2-CB 4.14Å; T44-K86 HydrophobicContact CG2-CD 3.33Å; T44-K86 VanDerWaalsContact CG2-CE 3.48Å; T44-K86 HydrophobicContact CG2-CG 3.75Å
45	S	95.3	Very high	89.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.271	C	S	.	.	S	Bend	trans	-87.4	124.4	173.4	159.6	0	0	0	0	110.3	A42 L43 T47 I48 K49 L116	A42-S45 PolarHBondContact O-N 2.84Å; A42-S45 VanDerWaalsContact O-N 3.13Å; L43-S45 PolarHBondContact O-N 2.83Å; S45-T47 VanDerWaalsContact C-N 3.29Å; S45-T47 PolarHBondContact O-N 3.29Å; S45-T47 PolarHBondContact OG-N 3.13Å; S45-I48 PolarHBondContact O-N 3.27Å; S45-I48 WeakPolarHBondContact OG-CG1 3.29Å; S45-I48 PolarHBondContact OG-N 3.07Å; S45-K49 VanDerWaalsContact O-CB 3.31Å; S45-K49 WeakPolarHBondContact O-CB 3.33Å; S45-K49 PolarHBondContact O-N 3.15Å; S45-L116 WeakPolarHBondContact CA-O 2.93Å; S45-L116 VanDerWaalsContact CB-O 3.27Å; S45-L116 WeakPolarHBondContact CB-O 3.42Å; S45-L116 PolarHBondContact OG-O 2.82Å
46	G	93.4	Very high	88	Confident	27 Å²	27	52.1 Å²	52.1	28%	0.278	30%	0.301	S	S	.	.	H	α-helix	trans	-60.7	-40.6	174.9	0	0	0	0	0	111.9	K49 A50 L116 D117	G46-K49 PolarHBondContact O-N 2.82Å; G46-A50 WeakPolarHBondContact O-CB 3.49Å; G46-A50 PolarHBondContact O-N 2.93Å; G46-L116 PolarHBondContact N-O 3.33Å; G46-D117 PolarHBondContact N-O 2.84Å; G46-D117 VanDerWaalsContact N-O 3.08Å
47	T	93.2	Very high	86	Confident	33 Å²	33	50.7 Å²	50.7	20%	0.202	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-49.9	178.2	-57	0	0	0	0	112.1	S45 K49 A50 M51 F115 L116	S45-T47 VanDerWaalsContact C-N 3.29Å; S45-T47 PolarHBondContact O-N 3.29Å; S45-T47 PolarHBondContact OG-N 3.13Å; T47-K49 VanDerWaalsContact C-N 3.29Å; T47-K49 PolarHBondContact O-N 3Å; T47-A50 WeakPolarHBondContact O-CB 3.45Å; T47-A50 PolarHBondContact O-N 3.28Å; T47-A50 VanDerWaalsContact O-N 3.13Å; T47-M51 HydrophobicContact CG2-SD 4.28Å; T47-M51 WeakPolarHBondContact O-CG 3.48Å; T47-M51 PolarHBondContact O-N 2.94Å; T47-F115 HydrophobicContact CG2-CE1 4.2Å; T47-F115 HydrophobicContact CG2-CZ 4.11Å; T47-F115 PolarHBondContact OG1-O 2.8Å; T47-L116 PolarHBondContact N-O 2.83Å
48	I	92.9	Very high	83.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.7	-41	177.8	-66.8	173.2	0	0	0	110.6	L27 A42 S45 A50 M51 L52 F68 F83 L116	L27-I48 HydrophobicContact CD1-CD1 4.18Å; L27-I48 HydrophobicContact CD2-CD1 4.2Å; A42-I48 HydrophobicContact CB-CG2 4.12Å; S45-I48 PolarHBondContact O-N 3.27Å; S45-I48 WeakPolarHBondContact OG-CG1 3.29Å; S45-I48 PolarHBondContact OG-N 3.07Å; I48-A50 VanDerWaalsContact C-N 3.32Å; I48-A50 PolarHBondContact O-N 3.13Å; I48-M51 PolarHBondContact O-N 3.43Å; I48-L52 HydrophobicContact CG2-CD1 3.65Å; I48-L52 HydrophobicContact CG2-CG 4.19Å; I48-L52 WeakPolarHBondContact O-CB 3.49Å; I48-L52 WeakPolarHBondContact O-CG 3.45Å; I48-L52 PolarHBondContact O-N 3.37Å; I48-F68 HydrophobicContact CD1-CZ 3.91Å; I48-F68 HydrophobicContact CG1-CZ 3.89Å; I48-F83 HydrophobicContact CD1-CE2 3.8Å; I48-F83 HydrophobicContact CD1-CZ 3.72Å; I48-L116 HydrophobicContact CD1-CD2 4.32Å; I48-L116 HydrophobicContact CG1-CD2 4.16Å
49	K	91.5	Very high	82.2	Confident	116 Å²	116	60 Å²	60	50%	0.504	34%	0.344	S	S	.	.	H	α-helix	trans	-59.2	-43.3	175.1	176.1	174.4	-178.8	-176.4	0	112.1	L43 S45 G46 T47 L52 S53	L43-K49 HydrophobicContact CD2-CB 3.76Å; L43-K49 HydrophobicContact CD2-CG 3.92Å; S45-K49 VanDerWaalsContact O-CB 3.31Å; S45-K49 WeakPolarHBondContact O-CB 3.33Å; S45-K49 PolarHBondContact O-N 3.15Å; G46-K49 PolarHBondContact O-N 2.82Å; T47-K49 VanDerWaalsContact C-N 3.29Å; T47-K49 PolarHBondContact O-N 3Å; K49-L52 PolarHBondContact O-N 3Å; K49-S53 VanDerWaalsContact O-CB 3.23Å; K49-S53 WeakPolarHBondContact O-CB 3.31Å; K49-S53 PolarHBondContact O-N 3Å; K49-S53 PolarHBondContact O-OG 3.29Å
50	A	89.5	Confident	80.6	Confident	59 Å²	59	59.7 Å²	59.7	49%	0.488	34%	0.344	S	S	.	.	H	α-helix	trans	-65.1	-41.4	177.2	0	0	0	0	0	111.9	G46 T47 I48 S53 G54	G46-A50 WeakPolarHBondContact O-CB 3.49Å; G46-A50 PolarHBondContact O-N 2.93Å; T47-A50 WeakPolarHBondContact O-CB 3.45Å; T47-A50 PolarHBondContact O-N 3.28Å; T47-A50 VanDerWaalsContact O-N 3.13Å; I48-A50 VanDerWaalsContact C-N 3.32Å; I48-A50 PolarHBondContact O-N 3.13Å; A50-S53 PolarHBondContact O-N 3.5Å; A50-G54 WeakPolarHBondContact O-CA 3.25Å; A50-G54 PolarHBondContact O-N 3.21Å
51	M	88.6	Confident	79.1	Confident	32 Å²	32	56.4 Å²	56.4	16%	0.158	33%	0.33	C	S	.	.	H	α-helix	trans	-63.2	-42.5	175.9	-65.8	178	76.4	0	0	111.8	T47 I48 S53 E60 N61 V66	T47-M51 HydrophobicContact CG2-SD 4.28Å; T47-M51 WeakPolarHBondContact O-CG 3.48Å; T47-M51 PolarHBondContact O-N 2.94Å; I48-M51 PolarHBondContact O-N 3.43Å; M51-S53 VanDerWaalsContact C-N 3.33Å; M51-S53 PolarHBondContact O-N 2.8Å; M51-E60 WeakPolarHBondContact CE-OE1 3.35Å; M51-N61 PolarHBondContact O-OD1 2.82Å; M51-V66 HydrophobicContact CE-CG1 3.64Å; M51-V66 HydrophobicContact SD-CG1 3.78Å
52	L	86.3	Confident	77.7	Confident	4 Å²	4	61 Å²	61	2%	0.021	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-4.8	-179.9	-66.6	174.4	0	0	0	115.2	V25 L43 I48 K49 N61 V66	V25-L52 HydrophobicContact CB-CD1 4.47Å; V25-L52 HydrophobicContact CG1-CD1 3.78Å; V25-L52 HydrophobicContact CG1-CD2 4.46Å; L43-L52 HydrophobicContact CD2-CD1 4.34Å; I48-L52 HydrophobicContact CG2-CD1 3.65Å; I48-L52 HydrophobicContact CG2-CG 4.19Å; I48-L52 WeakPolarHBondContact O-CB 3.49Å; I48-L52 WeakPolarHBondContact O-CG 3.45Å; I48-L52 PolarHBondContact O-N 3.37Å; K49-L52 PolarHBondContact O-N 3Å; L52-N61 WeakPolarHBondContact CA-OD1 3.27Å; L52-N61 PolarHBondContact O-OD1 3.34Å; L52-V66 HydrophobicContact CD2-CG2 4.08Å; L52-V66 HydrophobicContact CG-CG2 4.39Å
53	S	80.6	Confident	76.8	Confident	76 Å²	76	64.5 Å²	64.5	53%	0.531	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.2	-5.6	-176.9	-43.5	0	0	0	0	113.6	K49 A50 M51	K49-S53 VanDerWaalsContact O-CB 3.23Å; K49-S53 WeakPolarHBondContact O-CB 3.31Å; K49-S53 PolarHBondContact O-N 3Å; K49-S53 PolarHBondContact O-OG 3.29Å; A50-S53 PolarHBondContact O-N 3.5Å; M51-S53 VanDerWaalsContact C-N 3.33Å; M51-S53 PolarHBondContact O-N 2.8Å
54	G	71.5	Confident	76.4	Confident	19 Å²	19	61.6 Å²	61.6	20%	0.196	36%	0.357	C	S	.	.			trans	-74	144.8	-167.2	0	0	0	0	0	113.9	A50 G56	A50-G54 WeakPolarHBondContact O-CA 3.25Å; A50-G54 PolarHBondContact O-N 3.21Å; G54-G56 PolarHBondContact O-N 3.01Å
55	P	60.5	Low	76.3	Confident	143 Å²	143	61.3 Å²	61.3	93%	0.929	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	111.1	172.7	28.6	-31.4	0	0	0	110.1
56	G	57.9	Low	76.2	Confident	72 Å²	72	61.3 Å²	61.3	74%	0.742	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	123.2	-6.9	172.4	0	0	0	0	0	116.2	G54	G54-G56 PolarHBondContact O-N 3.01Å
57	Q	52.7	Low	76.2	Confident	92 Å²	92	65.3 Å²	65.3	43%	0.43	37%	0.367	S	S	.	.			trans	-110.4	62.3	173.7	-76.7	169.7	-25.9	0	0	110.2	Q59 E60 N61	Q57-Q59 PolarHBondContact O-N 2.93Å; Q57-E60 PolarHBondContact O-N 3.31Å; Q57-E60 PolarHBondContact OE1-OE2 3.04Å; Q57-E60 VanDerWaalsContact OE1-OE2 3.13Å; Q57-N61 PolarHBondContact O-N 3.15Å
58	F	52.5	Low	76.3	Confident	158 Å²	158	64.1 Å²	64.1	69%	0.693	36%	0.359	S	S	*	.	H	α-helix	trans	-53.7	-34.6	177.8	-105.5	-95.4	0	0	0	112.4	E62	F58-E62 WeakPolarHBondContact O-CB 3.37Å; F58-E62 WeakPolarHBondContact O-CG 3.18Å; F58-E62 PolarHBondContact O-N 3.13Å; F58-E62 VanDerWaalsContact O-N 3.16Å
59	Q	58.2	Low	76.3	Confident	160 Å²	160	74.9 Å²	74.9	75%	0.748	40%	0.4	S	S	*	.	H	α-helix	trans	-68.5	-38.5	-176.5	-69.9	-175.7	1.1	0	0	113.8	Q57 T63	Q57-Q59 PolarHBondContact O-N 2.93Å; Q59-T63 WeakPolarHBondContact O-CB 3.48Å; Q59-T63 VanDerWaalsContact O-CG2 3.29Å; Q59-T63 WeakPolarHBondContact O-CG2 3.32Å; Q59-T63 PolarHBondContact O-N 2.97Å; Q59-T63 VanDerWaalsContact O-N 3.14Å; Q59-T63 PolarHBondContact O-OG1 2.84Å
60	E	58.4	Low	76.4	Confident	37 Å²	37	77.7 Å²	77.7	17%	0.173	42%	0.415	C	S	.	.	H	α-helix	trans	-77.2	-35.3	-177.6	-66.5	177.2	138.1	0	0	111.1	M51 Q57 T63 N64	M51-E60 WeakPolarHBondContact CE-OE1 3.35Å; Q57-E60 PolarHBondContact O-N 3.31Å; Q57-E60 PolarHBondContact OE1-OE2 3.04Å; Q57-E60 VanDerWaalsContact OE1-OE2 3.13Å; E60-T63 PolarHBondContact O-N 3.01Å; E60-N64 VanDerWaalsContact O-CA 3.26Å; E60-N64 WeakPolarHBondContact O-CA 3.38Å; E60-N64 PolarHBondContact O-N 3.36Å
61	N	60	Low	76.8	Confident	39 Å²	39	75.4 Å²	75.4	21%	0.209	39%	0.394	C	S	.	.	H	α-helix	trans	-68.4	-34.5	175.8	-68.6	-5.4	0	0	0	112.8	M51 L52 Q57	M51-N61 PolarHBondContact O-OD1 2.82Å; L52-N61 WeakPolarHBondContact CA-OD1 3.27Å; L52-N61 PolarHBondContact O-OD1 3.34Å; Q57-N61 PolarHBondContact O-N 3.15Å
62	E	66.2	Low	77.2	Confident	125 Å²	125	75 Å²	75	58%	0.584	39%	0.394	S	S	*	.	H	α-helix	trans	-75.3	-37.2	177.3	-74.2	-177.9	160.9	0	0	112	G19 F58	G19-E62 PolarHBondContact N-O 2.87Å; F58-E62 WeakPolarHBondContact O-CB 3.37Å; F58-E62 WeakPolarHBondContact O-CG 3.18Å; F58-E62 PolarHBondContact O-N 3.13Å; F58-E62 VanDerWaalsContact O-N 3.16Å
63	T	75.7	Confident	77.8	Confident	73 Å²	73	76 Å²	76	45%	0.448	40%	0.401	S	S	.	.	H	α-helix	trans	-91.1	-19.7	-176.4	60.6	0	0	0	0	114	Q59 E60 V65	Q59-T63 WeakPolarHBondContact O-CB 3.48Å; Q59-T63 VanDerWaalsContact O-CG2 3.29Å; Q59-T63 WeakPolarHBondContact O-CG2 3.32Å; Q59-T63 PolarHBondContact O-N 2.97Å; Q59-T63 VanDerWaalsContact O-N 3.14Å; Q59-T63 PolarHBondContact O-OG1 2.84Å; E60-T63 PolarHBondContact O-N 3.01Å; T63-V65 WeakPolarHBondContact O-CG2 3.28Å; T63-V65 PolarHBondContact O-N 3.45Å; T63-V65 PolarHBondContact OG1-N 2.52Å
64	N	86	Confident	78.6	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	39%	0.394	C	S	.	.			trans	52.3	29.2	-168	-52.9	-66.7	0	0	0	114.1	A17 G19 A22 V25 K26 R39 E60	A17-N64 WeakPolarHBondContact O-CB 3.32Å; A17-N64 PolarHBondContact O-ND2 3.4Å; G19-N64 PolarHBondContact N-ND2 3.47Å; G19-N64 VanDerWaalsContact N-ND2 3.19Å; G19-N64 PolarHBondContact O-ND2 2.87Å; G19-N64 PolarHBondContact O-OD1 2.68Å; A22-N64 VanDerWaalsContact CB-ND2 3.26Å; A22-N64 WeakPolarHBondContact CB-ND2 3.02Å; V25-N64 HydrophobicContact CB-CB 4.46Å; V25-N64 HydrophobicContact CG1-CB 4.26Å; K26-N64 PolarHBondContact N-O 2.58Å; R39-N64 PolarHBondContact NH1-OD1 3.39Å; E60-N64 VanDerWaalsContact O-CA 3.26Å; E60-N64 WeakPolarHBondContact O-CA 3.38Å; E60-N64 PolarHBondContact O-N 3.36Å
65	V	91.7	Very high	79.9	Confident	22 Å²	22	75.5 Å²	75.5	13%	0.133	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.8	178.5	-171	0	0	0	0	109.4	K26 V28 T63 H67	K26-V65 HydrophobicContact CB-CB 4.44Å; K26-V65 HydrophobicContact CB-CG1 4.25Å; K26-V65 HydrophobicContact CB-CG2 4.08Å; K26-V65 HydrophobicContact CD-CG1 3.85Å; K26-V65 HydrophobicContact CD-CG2 4.01Å; K26-V65 HydrophobicContact CG-CG1 4.13Å; K26-V65 CarbonylContact O-C 3.59Å; K26-V65 WeakPolarHBondContact O-CA 3.42Å; V28-V65 HydrophobicContact CG2-CG1 3.78Å; T63-V65 WeakPolarHBondContact O-CG2 3.28Å; T63-V65 PolarHBondContact O-N 3.45Å; T63-V65 PolarHBondContact OG1-N 2.52Å; V65-H67 WeakPolarHBondContact CG1-NE2 3.44Å
66	V	92.5	Very high	81.6	Confident	0 Å²	0	68.7 Å²	68.7	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	124.3	174.9	179.2	0	0	0	0	108.7	K26 L27 V28 M51 L52 F68	K26-V66 PolarHBondContact O-N 3.46Å; L27-V66 HydrophobicContact CD2-CB 3.86Å; L27-V66 HydrophobicContact CD2-CG2 4.23Å; V28-V66 PolarHBondContact N-O 3.45Å; M51-V66 HydrophobicContact CE-CG1 3.64Å; M51-V66 HydrophobicContact SD-CG1 3.78Å; L52-V66 HydrophobicContact CD2-CG2 4.08Å; L52-V66 HydrophobicContact CG-CG2 4.39Å; V66-F68 HydrophobicContact CB-CZ 4.48Å; V66-F68 HydrophobicContact CG1-CD1 4.43Å; V66-F68 HydrophobicContact CG1-CE1 3.78Å; V66-F68 HydrophobicContact CG1-CE2 3.95Å; V66-F68 HydrophobicContact CG1-CZ 3.53Å
67	H	93.6	Very high	83.6	Confident	111 Å²	111	70.7 Å²	70.7	51%	0.514	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	120.7	-179.8	-67.9	-89.8	0	0	0	111.5	V65	V65-H67 WeakPolarHBondContact CG1-NE2 3.44Å
68	F	94.9	Very high	85.7	Confident	8 Å²	8	68.1 Å²	68.1	4%	0.035	32%	0.318	C	S	.	.			trans	-101.2	98.8	176.2	-61.8	-66.1	0	0	0	111	L27 V28 S29 S30 I48 V66 E70 I71 L76 F115 L116	L27-F68 HydrophobicContact CB-CE2 4Å; L27-F68 HydrophobicContact CD1-CE2 4.33Å; L27-F68 HydrophobicContact CD2-CE2 4.02Å; L27-F68 HydrophobicContact CD2-CZ 4.44Å; L27-F68 HydrophobicContact CG-CE2 4.33Å; V28-F68 PolarHBondContact O-N 3.44Å; S29-F68 CarbonylContact C-O 3.53Å; S30-F68 VanDerWaalsContact CA-O 3.28Å; S30-F68 WeakPolarHBondContact CA-O 3.22Å; S30-F68 WeakPolarHBondContact CB-O 3.2Å; S30-F68 PolarHBondContact N-O 3.13Å; I48-F68 HydrophobicContact CD1-CZ 3.91Å; I48-F68 HydrophobicContact CG1-CZ 3.89Å; V66-F68 HydrophobicContact CB-CZ 4.48Å; V66-F68 HydrophobicContact CG1-CD1 4.43Å; V66-F68 HydrophobicContact CG1-CE1 3.78Å; V66-F68 HydrophobicContact CG1-CE2 3.95Å; V66-F68 HydrophobicContact CG1-CZ 3.53Å; F68-E70 PolarHBondContact O-N 3.36Å; F68-I71 HydrophobicContact CB-CB 3.85Å; F68-I71 HydrophobicContact CB-CD1 4.12Å; F68-I71 HydrophobicContact CB-CG1 4.04Å; F68-I71 HydrophobicContact CD1-CD1 3.8Å; F68-I71 HydrophobicContact CE1-CD1 4.4Å; F68-I71 HydrophobicContact CG-CB 4.47Å; F68-I71 HydrophobicContact CG-CD1 3.94Å; F68-I71 HydrophobicContact CG-CG1 4.42Å; F68-L76 HydrophobicContact CD2-CD1 3.88Å; F68-L76 HydrophobicContact CD2-CD2 3.87Å; F68-L76 HydrophobicContact CE2-CD1 3.86Å; F68-L76 HydrophobicContact CE2-CD2 4.43Å; F68-F115 HydrophobicContact CD1-CE1 4.14Å; F68-F115 HydrophobicContact CE1-CE1 4.15Å; F68-L116 HydrophobicContact CD1-CD2 4.34Å; F68-L116 HydrophobicContact CE1-CD2 3.45Å; F68-L116 VanDerWaalsContact CE1-CD2 3.45Å; F68-L116 HydrophobicContact CZ-CD2 3.74Å
69	R	93.8	Very high	87.9	Confident	227 Å²	227	60.7 Å²	60.7	86%	0.857	29%	0.286	S	S	*	.	S	Bend	trans	-69.6	-19.3	-178.5	-62.6	-178.1	-175.6	167.9	2.4	114.3	S30	S30-R69 WeakPolarHBondContact CB-O 3.41Å
70	E	94.5	Very high	89.7	Confident	175 Å²	175	53.9 Å²	53.9	82%	0.818	26%	0.256	S	S	*	.	S	Bend	trans	-114.1	-7.3	-173.7	-61.9	-175.4	107.5	0	0	113.4	F68	F68-E70 PolarHBondContact O-N 3.36Å
71	I	97.2	Very high	91.6	Very high	11 Å²	11	54.7 Å²	54.7	6%	0.056	27%	0.265	C	S	.	.			trans	-107.3	111.7	-176	-51.5	179.1	0	0	0	109.4	S29 S30 F68 V75 L76 A112 F115 L116	S29-I71 CarbonylContact C-O 3.55Å; S29-I71 WeakPolarHBondContact CA-O 3.19Å; S29-I71 VanDerWaalsContact CB-O 3.27Å; S29-I71 WeakPolarHBondContact CB-O 3.17Å; S30-I71 PolarHBondContact N-O 2.55Å; S30-I71 PolarHBondContact OG-O 3.08Å; F68-I71 HydrophobicContact CB-CB 3.85Å; F68-I71 HydrophobicContact CB-CD1 4.12Å; F68-I71 HydrophobicContact CB-CG1 4.04Å; F68-I71 HydrophobicContact CD1-CD1 3.8Å; F68-I71 HydrophobicContact CE1-CD1 4.4Å; F68-I71 HydrophobicContact CG-CB 4.47Å; F68-I71 HydrophobicContact CG-CD1 3.94Å; F68-I71 HydrophobicContact CG-CG1 4.42Å; I71-V75 HydrophobicContact CG2-CB 3.97Å; I71-V75 HydrophobicContact CG2-CG1 3.8Å; I71-L76 HydrophobicContact CG2-CB 3.95Å; I71-A112 HydrophobicContact CD1-CB 4.11Å; I71-A112 HydrophobicContact CG1-CB 4.41Å; I71-A112 HydrophobicContact CG2-CB 4.41Å; I71-F115 HydrophobicContact CD1-CD1 4.26Å; I71-L116 HydrophobicContact CD1-CD1 4.08Å; I71-L116 HydrophobicContact CD1-CD2 4.39Å; I71-L116 HydrophobicContact CD1-CG 4.26Å
72	P	97.8	Very high	93.4	Very high	24 Å²	24	55.8 Å²	55.8	16%	0.156	27%	0.267	C	S	.	.			trans	-72.8	160	177.3	31	-35.5	0	0	0	112.2	S30 H74 V75 L76	S30-P72 VanDerWaalsContact OG-CA 3.32Å; S30-P72 WeakPolarHBondContact OG-CA 3.36Å; P72-H74 VanDerWaalsContact C-N 3.32Å; P72-H74 WeakPolarHBondContact CG-CE1 3.49Å; P72-H74 PolarHBondContact O-N 2.83Å; P72-V75 HydrophobicContact CG-CB 4.21Å; P72-V75 HydrophobicContact CG-CG2 3.84Å; P72-V75 PolarHBondContact O-N 2.72Å; P72-V75 VanDerWaalsContact O-N 3.1Å; P72-L76 PolarHBondContact O-N 3.48Å
73	S	98.2	Very high	94.9	Very high	24 Å²	24	49.8 Å²	49.8	17%	0.168	24%	0.239	C	C	.	.	H	α-helix	trans	-53.6	-43.6	-175.5	57.9	0	0	0	0	113.9	D31 V75 L76 Q77	D31-S73 WeakPolarHBondContact OD1-CA 3.35Å; D31-S73 WeakPolarHBondContact OD1-CB 3.27Å; D31-S73 PolarHBondContact OD1-N 2.71Å; D31-S73 VanDerWaalsContact OD2-CB 3.22Å; D31-S73 WeakPolarHBondContact OD2-CB 3.46Å; D31-S73 PolarHBondContact OD2-N 2.96Å; D31-S73 PolarHBondContact OD2-OG 3.38Å; S73-V75 VanDerWaalsContact C-N 3.27Å; S73-V75 PolarHBondContact O-N 3.09Å; S73-L76 PolarHBondContact O-N 3.44Å; S73-Q77 VanDerWaalsContact O-CB 3.29Å; S73-Q77 WeakPolarHBondContact O-CB 3.23Å; S73-Q77 PolarHBondContact O-N 3.33Å
74	H	97	Very high	95.9	Very high	84 Å²	84	48.6 Å²	48.6	39%	0.389	24%	0.237	S	C	.	.	H	α-helix	trans	-65.1	-29.4	-177.6	69.4	-87.2	0	0	0	113	P72 E108	P72-H74 VanDerWaalsContact C-N 3.32Å; P72-H74 WeakPolarHBondContact CG-CE1 3.49Å; P72-H74 PolarHBondContact O-N 2.83Å; H74-E108 IonicContact CE1-OE2 3.83Å; H74-E108 IonicContact NE2-OE2 3.65Å
75	V	98.1	Very high	96.4	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-80.3	-47.2	172.5	176.7	0	0	0	0	110.3	I71 P72 S73 Q77 K78 V79 E108 L109 A112	I71-V75 HydrophobicContact CG2-CB 3.97Å; I71-V75 HydrophobicContact CG2-CG1 3.8Å; P72-V75 HydrophobicContact CG-CB 4.21Å; P72-V75 HydrophobicContact CG-CG2 3.84Å; P72-V75 PolarHBondContact O-N 2.72Å; P72-V75 VanDerWaalsContact O-N 3.1Å; S73-V75 VanDerWaalsContact C-N 3.27Å; S73-V75 PolarHBondContact O-N 3.09Å; V75-Q77 VanDerWaalsContact C-N 3.28Å; V75-Q77 PolarHBondContact O-N 3.26Å; V75-K78 WeakPolarHBondContact O-CA 3.28Å; V75-K78 WeakPolarHBondContact O-CB 3.07Å; V75-K78 PolarHBondContact O-N 3.31Å; V75-V79 PolarHBondContact O-N 3.02Å; V75-E108 HydrophobicContact CG2-CB 3.63Å; V75-L109 HydrophobicContact CG1-CD1 4.17Å; V75-A112 HydrophobicContact CG1-CB 3.79Å
76	L	98	Very high	96.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-36.8	-179	-175	57.2	0	0	0	112.1	L27 F35 F68 I71 P72 S73 K78 V79 C80	L27-L76 HydrophobicContact CB-CD2 4.13Å; L27-L76 HydrophobicContact CD1-CD1 4.37Å; F35-L76 HydrophobicContact CD2-CB 4.47Å; F35-L76 HydrophobicContact CD2-CD2 3.54Å; F35-L76 HydrophobicContact CD2-CG 3.85Å; F35-L76 HydrophobicContact CE2-CB 4.06Å; F35-L76 HydrophobicContact CE2-CD2 3.78Å; F35-L76 HydrophobicContact CE2-CG 3.96Å; F68-L76 HydrophobicContact CD2-CD1 3.88Å; F68-L76 HydrophobicContact CD2-CD2 3.87Å; F68-L76 HydrophobicContact CE2-CD1 3.86Å; F68-L76 HydrophobicContact CE2-CD2 4.43Å; I71-L76 HydrophobicContact CG2-CB 3.95Å; P72-L76 PolarHBondContact O-N 3.48Å; S73-L76 PolarHBondContact O-N 3.44Å; L76-K78 VanDerWaalsContact C-N 3.25Å; L76-K78 PolarHBondContact O-N 2.96Å; L76-V79 HydrophobicContact CD1-CB 4.44Å; L76-V79 HydrophobicContact CD1-CG1 4.49Å; L76-V79 WeakPolarHBondContact O-CB 3.45Å; L76-V79 PolarHBondContact O-N 3.33Å; L76-C80 PolarHBondContact O-N 3.44Å; L76-C80 PolarHBondContact O-SG 2.97Å
77	Q	98	Very high	96.7	Very high	113 Å²	113	55.8 Å²	55.8	53%	0.528	27%	0.27	S	S	.	.	H	α-helix	trans	-57.5	-41	172.8	-177.6	179.6	-24.3	0	0	111.5	F35 S73 V75 C80 S81	F35-Q77 HydrophobicContact CE1-CB 3.68Å; F35-Q77 HydrophobicContact CE1-CG 4.11Å; F35-Q77 HydrophobicContact CZ-CB 3.92Å; S73-Q77 VanDerWaalsContact O-CB 3.29Å; S73-Q77 WeakPolarHBondContact O-CB 3.23Å; S73-Q77 PolarHBondContact O-N 3.33Å; V75-Q77 VanDerWaalsContact C-N 3.28Å; V75-Q77 PolarHBondContact O-N 3.26Å; Q77-C80 PolarHBondContact O-N 2.85Å; Q77-S81 PolarHBondContact O-N 2.81Å; Q77-S81 PolarHBondContact O-OG 3.01Å
78	K	97.8	Very high	96.8	Very high	38 Å²	38	58 Å²	58	17%	0.165	27%	0.274	C	S	.	.	H	α-helix	trans	-70.9	-39.7	179.4	-164.5	57.7	168.5	169.5	0	111.8	V75 L76 S81 Y82 F99 P100 I105 L109	V75-K78 WeakPolarHBondContact O-CA 3.28Å; V75-K78 WeakPolarHBondContact O-CB 3.07Å; V75-K78 PolarHBondContact O-N 3.31Å; L76-K78 VanDerWaalsContact C-N 3.25Å; L76-K78 PolarHBondContact O-N 2.96Å; K78-S81 WeakPolarHBondContact O-CB 3.48Å; K78-S81 PolarHBondContact O-N 3.32Å; K78-Y82 PolarHBondContact O-N 3.26Å; K78-F99 HydrophobicContact CD-CE1 3.88Å; K78-F99 HydrophobicContact CD-CZ 3.68Å; K78-F99 VanDerWaalsContact CE-CZ 3.48Å; K78-F99 HydrophobicContact CG-CE1 4.05Å; K78-F99 HydrophobicContact CG-CZ 4.16Å; K78-P100 WeakPolarHBondContact CE-O 3.47Å; K78-P100 PolarHBondContact NZ-O 3.06Å; K78-I105 HydrophobicContact CB-CD1 4.13Å; K78-I105 HydrophobicContact CG-CD1 3.98Å; K78-L109 HydrophobicContact CB-CD1 4.1Å; K78-L109 HydrophobicContact CB-CD2 4.49Å; K78-L109 HydrophobicContact CG-CD1 4.15Å; K78-L109 HydrophobicContact CG-CD2 3.72Å
79	V	97.8	Very high	96.9	Very high	3 Å²	3	60.6 Å²	60.6	2%	0.018	28%	0.283	C	S	.	.	H	α-helix	trans	-58.5	-47.4	170.7	170.6	0	0	0	0	111.3	V75 L76 S81 Y82 F83 L109 A112 L116	V75-V79 PolarHBondContact O-N 3.02Å; L76-V79 HydrophobicContact CD1-CB 4.44Å; L76-V79 HydrophobicContact CD1-CG1 4.49Å; L76-V79 WeakPolarHBondContact O-CB 3.45Å; L76-V79 PolarHBondContact O-N 3.33Å; V79-S81 VanDerWaalsContact C-N 3.27Å; V79-S81 PolarHBondContact O-N 2.81Å; V79-Y82 WeakPolarHBondContact O-CA 3.31Å; V79-Y82 WeakPolarHBondContact O-CB 3.41Å; V79-Y82 PolarHBondContact O-N 3.05Å; V79-F83 HydrophobicContact CG1-CD2 4.49Å; V79-F83 HydrophobicContact CG1-CE1 3.81Å; V79-F83 HydrophobicContact CG1-CE2 3.76Å; V79-F83 HydrophobicContact CG1-CZ 3.36Å; V79-F83 WeakPolarHBondContact O-CG 3.36Å; V79-F83 PolarHBondContact O-N 3.16Å; V79-L109 HydrophobicContact CG2-CD1 3.72Å; V79-A112 HydrophobicContact CG2-CB 4.39Å; V79-L116 HydrophobicContact CB-CD1 4.4Å; V79-L116 HydrophobicContact CG1-CD1 3.5Å; V79-L116 HydrophobicContact CG2-CD1 4.09Å
80	C	97.7	Very high	96.9	Very high	17 Å²	17	53.5 Å²	53.5	12%	0.115	27%	0.266	C	S	.	.	H	α-helix	trans	-60	-40.1	177.1	-66	0	0	0	0	111.8	V37 L76 Q77 Y82 F83 A84	V37-C80 HydrophobicContact CG2-CB 4.05Å; L76-C80 PolarHBondContact O-N 3.44Å; L76-C80 PolarHBondContact O-SG 2.97Å; Q77-C80 PolarHBondContact O-N 2.85Å; C80-Y82 VanDerWaalsContact C-N 3.31Å; C80-F83 PolarHBondContact O-N 3.35Å; C80-A84 PolarHBondContact O-N 3.26Å
81	S	97.4	Very high	96.8	Very high	53 Å²	53	52.9 Å²	52.9	37%	0.371	27%	0.268	S	S	.	.	H	α-helix	trans	-65.3	-37.6	175.8	-55.3	0	0	0	0	111.4	Q77 K78 V79 A84 Y85	Q77-S81 PolarHBondContact O-N 2.81Å; Q77-S81 PolarHBondContact O-OG 3.01Å; K78-S81 WeakPolarHBondContact O-CB 3.48Å; K78-S81 PolarHBondContact O-N 3.32Å; V79-S81 VanDerWaalsContact C-N 3.27Å; V79-S81 PolarHBondContact O-N 2.81Å; S81-A84 PolarHBondContact O-N 2.95Å; S81-Y85 WeakPolarHBondContact O-CB 3.38Å; S81-Y85 PolarHBondContact O-N 3.31Å
82	Y	97.9	Very high	96.5	Very high	62 Å²	62	54 Å²	54	24%	0.243	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-37.3	175.1	173	-108	0	0	0	112.1	K78 V79 C80 A84 Y85 K86 F99 C118	K78-Y82 PolarHBondContact O-N 3.26Å; V79-Y82 WeakPolarHBondContact O-CA 3.31Å; V79-Y82 WeakPolarHBondContact O-CB 3.41Å; V79-Y82 PolarHBondContact O-N 3.05Å; C80-Y82 VanDerWaalsContact C-N 3.31Å; Y82-A84 PolarHBondContact O-N 3.02Å; Y82-Y85 HydrophobicContact CD2-CD1 4.19Å; Y82-Y85 HydrophobicContact CE2-CD1 4.42Å; Y82-Y85 WeakPolarHBondContact O-CB 3.47Å; Y82-Y85 PolarHBondContact O-N 3.1Å; Y82-K86 HydrophobicContact CE1-CD 3.93Å; Y82-K86 HydrophobicContact CE2-CB 4.38Å; Y82-K86 HydrophobicContact CE2-CD 4.45Å; Y82-K86 WeakPolarHBondContact O-CB 3.29Å; Y82-K86 PolarHBondContact O-N 2.72Å; Y82-K86 WeakPolarHBondContact OH-CD 3.28Å; Y82-F99 HydrophobicContact CD2-CE1 4.47Å; Y82-C118 HydrophobicContact CE1-CB 4.04Å; Y82-C118 VanDerWaalsContact CE1-OXT 3.29Å; Y82-C118 WeakPolarHBondContact CE1-OXT 3.49Å; Y82-C118 PolarHBondContact OH-OXT 3.32Å
83	F	97.8	Very high	96.3	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.8	-47.7	174.4	-61.7	-26.4	0	0	0	112	L27 V37 H41 T44 I48 V79 C80 Y85 K86 V87 C118	L27-F83 HydrophobicContact CD1-CE2 4.16Å; V37-F83 HydrophobicContact CG1-CD2 4.33Å; H41-F83 HydrophobicContact CB-CB 4.08Å; T44-F83 HydrophobicContact CG2-CD1 4.22Å; I48-F83 HydrophobicContact CD1-CE2 3.8Å; I48-F83 HydrophobicContact CD1-CZ 3.72Å; V79-F83 HydrophobicContact CG1-CD2 4.49Å; V79-F83 HydrophobicContact CG1-CE1 3.81Å; V79-F83 HydrophobicContact CG1-CE2 3.76Å; V79-F83 HydrophobicContact CG1-CZ 3.36Å; V79-F83 WeakPolarHBondContact O-CG 3.36Å; V79-F83 PolarHBondContact O-N 3.16Å; C80-F83 PolarHBondContact O-N 3.35Å; F83-Y85 VanDerWaalsContact C-N 3.34Å; F83-Y85 PolarHBondContact O-N 3.25Å; F83-K86 PolarHBondContact O-N 2.74Å; F83-V87 WeakPolarHBondContact O-CG2 3.39Å; F83-V87 PolarHBondContact O-N 3.42Å; F83-C118 HydrophobicContact CE1-CB 4.02Å
84	A	96.2	Very high	96	Very high	48 Å²	48	61.8 Å²	61.8	40%	0.397	33%	0.332	S	S	.	.	H	α-helix	trans	-58	-46	173.7	0	0	0	0	0	112.1	C80 S81 Y82 R88	C80-A84 PolarHBondContact O-N 3.26Å; S81-A84 PolarHBondContact O-N 2.95Å; Y82-A84 PolarHBondContact O-N 3.02Å; A84-R88 WeakPolarHBondContact O-CB 3.46Å; A84-R88 PolarHBondContact O-N 3.45Å
85	Y	97.2	Very high	95.8	Very high	52 Å²	52	66.7 Å²	66.7	20%	0.204	36%	0.355	C	S	.	.	H	α-helix	trans	-60.5	-51.8	177.8	174.3	-87.1	0	0	0	111.9	S81 Y82 F83 V87 R88 Y89 I96 P97 F99	S81-Y85 WeakPolarHBondContact O-CB 3.38Å; S81-Y85 PolarHBondContact O-N 3.31Å; Y82-Y85 HydrophobicContact CD2-CD1 4.19Å; Y82-Y85 HydrophobicContact CE2-CD1 4.42Å; Y82-Y85 WeakPolarHBondContact O-CB 3.47Å; Y82-Y85 PolarHBondContact O-N 3.1Å; F83-Y85 VanDerWaalsContact C-N 3.34Å; F83-Y85 PolarHBondContact O-N 3.25Å; Y85-V87 PolarHBondContact O-N 3.39Å; Y85-R88 PolarHBondContact O-N 2.89Å; Y85-Y89 HydrophobicContact CD1-CD2 4.35Å; Y85-Y89 AromaticContact CD2-CD2 3.45Å; Y85-Y89 HydrophobicContact CD2-CD2 3.45Å; Y85-Y89 VanDerWaalsContact CD2-CD2 3.45Å; Y85-Y89 AromaticContact CD2-CE2 3.49Å; Y85-Y89 HydrophobicContact CD2-CE2 3.49Å; Y85-Y89 VanDerWaalsContact CD2-CE2 3.49Å; Y85-Y89 HydrophobicContact CE1-CD2 4.38Å; Y85-Y89 AromaticContact CE2-CD2 3.51Å; Y85-Y89 HydrophobicContact CE2-CD2 3.51Å; Y85-Y89 AromaticContact CE2-CE2 3.66Å; Y85-Y89 HydrophobicContact CE2-CE2 3.66Å; Y85-Y89 HydrophobicContact CE2-CG 4.49Å; Y85-Y89 AromaticContact CG-CD2 3.9Å; Y85-Y89 HydrophobicContact CG-CD2 3.9Å; Y85-Y89 HydrophobicContact CG-CE2 4.29Å; Y85-Y89 AromaticContact CZ-CD2 3.99Å; Y85-Y89 WeakPolarHBondContact O-CD2 3.29Å; Y85-Y89 PolarHBondContact O-N 3.26Å; Y85-I96 WeakPolarHBondContact OH-CG2 3.18Å; Y85-P97 HydrophobicContact CE2-CG 4.39Å; Y85-P97 WeakPolarHBondContact CE2-O 3.5Å; Y85-P97 PolarHBondContact OH-O 3.04Å; Y85-F99 HydrophobicContact CD1-CD2 4.3Å; Y85-F99 HydrophobicContact CD2-CB 4.31Å; Y85-F99 AromaticContact CD2-CD2 3.76Å; Y85-F99 HydrophobicContact CD2-CD2 3.76Å; Y85-F99 HydrophobicContact CD2-CG 4.46Å; Y85-F99 HydrophobicContact CE1-CB 4.26Å; Y85-F99 HydrophobicContact CE2-CB 4.01Å; Y85-F99 HydrophobicContact CE2-CD2 4.31Å; Y85-F99 AromaticContact CG-CD2 3.76Å; Y85-F99 HydrophobicContact CG-CD2 3.76Å; Y85-F99 HydrophobicContact CG-CE2 4.35Å; Y85-F99 HydrophobicContact CG-CG 4.44Å
86	K	95.8	Very high	95.7	Very high	64 Å²	64	70.9 Å²	70.9	28%	0.278	38%	0.376	S	S	.	.	H	α-helix	trans	-60.3	-46.6	-178.5	-179.2	156.1	166.1	-161.4	0	110.7	T44 Y82 F83 R88 Y89 T90 C118	T44-K86 HydrophobicContact CG2-CB 4.14Å; T44-K86 HydrophobicContact CG2-CD 3.33Å; T44-K86 VanDerWaalsContact CG2-CE 3.48Å; T44-K86 HydrophobicContact CG2-CG 3.75Å; Y82-K86 HydrophobicContact CE1-CD 3.93Å; Y82-K86 HydrophobicContact CE2-CB 4.38Å; Y82-K86 HydrophobicContact CE2-CD 4.45Å; Y82-K86 WeakPolarHBondContact O-CB 3.29Å; Y82-K86 PolarHBondContact O-N 2.72Å; Y82-K86 WeakPolarHBondContact OH-CD 3.28Å; F83-K86 PolarHBondContact O-N 2.74Å; K86-R88 PolarHBondContact O-N 2.58Å; K86-Y89 PolarHBondContact O-N 2.99Å; K86-T90 VanDerWaalsContact O-CB 3.23Å; K86-T90 WeakPolarHBondContact O-CB 3.35Å; K86-T90 PolarHBondContact O-N 3.48Å; K86-T90 PolarHBondContact O-OG1 2.86Å; K86-C118 PolarHBondContact NZ-OXT 3Å
87	V	95.3	Very high	95.6	Very high	57 Å²	57	73.6 Å²	73.6	35%	0.345	39%	0.394	S	S	.	.	H	α-helix	trans	-62	-44	175.8	173	0	0	0	0	111.7	H41 F83 Y85 Y89	H41-V87 HydrophobicContact CB-CG2 4.49Å; F83-V87 WeakPolarHBondContact O-CG2 3.39Å; F83-V87 PolarHBondContact O-N 3.42Å; Y85-V87 PolarHBondContact O-N 3.39Å; V87-Y89 VanDerWaalsContact C-N 3.33Å; V87-Y89 PolarHBondContact O-N 2.84Å
88	R	95.2	Very high	95.5	Very high	158 Å²	158	77 Å²	77	60%	0.596	41%	0.409	S	S	*	.	H	α-helix	trans	-63.8	-35.8	-178	176.1	59.5	-175.1	86.3	-0.9	113.5	A84 Y85 K86	A84-R88 WeakPolarHBondContact O-CB 3.46Å; A84-R88 PolarHBondContact O-N 3.45Å; Y85-R88 PolarHBondContact O-N 2.89Å; K86-R88 PolarHBondContact O-N 2.58Å
89	Y	95.7	Very high	95.4	Very high	61 Å²	61	77.2 Å²	77.2	24%	0.239	41%	0.411	C	S	.	.	H	α-helix	trans	-107.7	-7.7	-172.9	-63.1	-68.5	0	0	0	114.1	Y85 K86 V87 N91 S92 I96 P97	Y85-Y89 HydrophobicContact CD1-CD2 4.35Å; Y85-Y89 AromaticContact CD2-CD2 3.45Å; Y85-Y89 HydrophobicContact CD2-CD2 3.45Å; Y85-Y89 VanDerWaalsContact CD2-CD2 3.45Å; Y85-Y89 AromaticContact CD2-CE2 3.49Å; Y85-Y89 HydrophobicContact CD2-CE2 3.49Å; Y85-Y89 VanDerWaalsContact CD2-CE2 3.49Å; Y85-Y89 HydrophobicContact CE1-CD2 4.38Å; Y85-Y89 AromaticContact CE2-CD2 3.51Å; Y85-Y89 HydrophobicContact CE2-CD2 3.51Å; Y85-Y89 AromaticContact CE2-CE2 3.66Å; Y85-Y89 HydrophobicContact CE2-CE2 3.66Å; Y85-Y89 HydrophobicContact CE2-CG 4.49Å; Y85-Y89 AromaticContact CG-CD2 3.9Å; Y85-Y89 HydrophobicContact CG-CD2 3.9Å; Y85-Y89 HydrophobicContact CG-CE2 4.29Å; Y85-Y89 AromaticContact CZ-CD2 3.99Å; Y85-Y89 WeakPolarHBondContact O-CD2 3.29Å; Y85-Y89 PolarHBondContact O-N 3.26Å; K86-Y89 PolarHBondContact O-N 2.99Å; V87-Y89 VanDerWaalsContact C-N 3.33Å; V87-Y89 PolarHBondContact O-N 2.84Å; Y89-N91 PolarHBondContact O-N 3.48Å; Y89-S92 VanDerWaalsContact O-CB 3.29Å; Y89-S92 WeakPolarHBondContact O-CB 3.39Å; Y89-S92 PolarHBondContact O-N 3.17Å; Y89-I96 HydrophobicContact CD1-CG2 4.47Å; Y89-I96 HydrophobicContact CG-CG2 4.21Å; Y89-P97 HydrophobicContact CE1-CG 3.93Å; Y89-P97 HydrophobicContact CE2-CG 3.89Å; Y89-P97 VanDerWaalsContact CZ-CD 3.47Å; Y89-P97 VanDerWaalsContact CZ-CG 3.44Å; Y89-P97 VanDerWaalsContact OH-CG 3.29Å; Y89-P97 WeakPolarHBondContact OH-CG 3.37Å
90	T	93.8	Very high	95.4	Very high	79 Å²	79	81.6 Å²	81.6	49%	0.485	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	125.5	167.4	-67.4	0	0	0	0	108.9	K86 S92	K86-T90 VanDerWaalsContact O-CB 3.23Å; K86-T90 WeakPolarHBondContact O-CB 3.35Å; K86-T90 PolarHBondContact O-N 3.48Å; K86-T90 PolarHBondContact O-OG1 2.86Å; T90-S92 PolarHBondContact O-N 2.96Å
91	N	92.4	Very high	95.3	Very high	162 Å²	162	84.7 Å²	84.7	87%	0.866	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	19.1	-175.4	-52.1	-43.2	0	0	0	115.2	Y89 S93	Y89-N91 PolarHBondContact O-N 3.48Å; N91-S93 PolarHBondContact O-N 3.47Å
92	S	92.5	Very high	95.2	Very high	34 Å²	34	84.2 Å²	84.2	24%	0.238	45%	0.453	C	S	.	.			trans	-67.3	130.1	171.8	176.4	0	0	0	0	110.6	Y89 T90 S94	Y89-S92 VanDerWaalsContact O-CB 3.29Å; Y89-S92 WeakPolarHBondContact O-CB 3.39Å; Y89-S92 PolarHBondContact O-N 3.17Å; T90-S92 PolarHBondContact O-N 2.96Å; S92-S94 VanDerWaalsContact C-N 3.35Å; S92-S94 PolarHBondContact OG-N 3.39Å; S92-S94 PolarHBondContact OG-O 2.84Å
93	S	92.4	Very high	95.2	Very high	129 Å²	129	86.3 Å²	86.3	90%	0.902	47%	0.474	S	S	*	.			trans	-88.5	-4.7	170.6	61.6	0	0	0	0	113.3	N91	N91-S93 PolarHBondContact O-N 3.47Å
94	S	92.4	Very high	95.1	Very high	83 Å²	83	93.5 Å²	93.5	58%	0.58	51%	0.508	S	S	*	.	S	Bend	trans	-92.3	161.6	176.1	-56.9	0	0	0	0	111	S92 I96	S92-S94 VanDerWaalsContact C-N 3.35Å; S92-S94 PolarHBondContact OG-N 3.39Å; S92-S94 PolarHBondContact OG-O 2.84Å; S94-I96 PolarHBondContact O-N 3.46Å
95	E	93.3	Very high	95.1	Very high	186 Å²	186	92.5 Å²	92.5	87%	0.869	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-50.7	129.3	171.2	-173.4	174.7	-163.9	0	0	110.8
96	I	94.9	Very high	95.1	Very high	90 Å²	90	92.4 Å²	92.4	46%	0.462	50%	0.502	S	S	.	.	P	Polyproline II helix	trans	-91	116.9	-178.2	-60.1	176.1	0	0	0	106.9	Y85 Y89 S94	Y85-I96 WeakPolarHBondContact OH-CG2 3.18Å; Y89-I96 HydrophobicContact CD1-CG2 4.47Å; Y89-I96 HydrophobicContact CG-CG2 4.21Å; S94-I96 PolarHBondContact O-N 3.46Å
97	P	95.8	Very high	95.2	Very high	57 Å²	57	95.7 Å²	95.7	37%	0.37	52%	0.523	S	S	.	.	P	Polyproline II helix	trans	-69	153.2	179.7	29.4	-33.1	0	0	0	110.6	Y85 Y89	Y85-P97 HydrophobicContact CE2-CG 4.39Å; Y85-P97 WeakPolarHBondContact CE2-O 3.5Å; Y85-P97 PolarHBondContact OH-O 3.04Å; Y89-P97 HydrophobicContact CE1-CG 3.93Å; Y89-P97 HydrophobicContact CE2-CG 3.89Å; Y89-P97 VanDerWaalsContact CZ-CD 3.47Å; Y89-P97 VanDerWaalsContact CZ-CG 3.44Å; Y89-P97 VanDerWaalsContact OH-CG 3.29Å; Y89-P97 WeakPolarHBondContact OH-CG 3.37Å
98	E	96.2	Very high	95.2	Very high	183 Å²	183	96.6 Å²	96.6	86%	0.855	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-61.6	143.5	173.8	-66.6	-176.2	-175.9	0	0	111.5	P100	E98-P100 WeakPolarHBondContact O-CD 3.37Å
99	F	96.6	Very high	95.4	Very high	44 Å²	44	89.9 Å²	89.9	19%	0.193	50%	0.499	C	S	.	.			trans	-94.6	98.6	170.3	-173.2	-106	0	0	0	108.8	K78 Y82 Y85 I101	K78-F99 HydrophobicContact CD-CE1 3.88Å; K78-F99 HydrophobicContact CD-CZ 3.68Å; K78-F99 VanDerWaalsContact CE-CZ 3.48Å; K78-F99 HydrophobicContact CG-CE1 4.05Å; K78-F99 HydrophobicContact CG-CZ 4.16Å; Y82-F99 HydrophobicContact CD2-CE1 4.47Å; Y85-F99 HydrophobicContact CD1-CD2 4.3Å; Y85-F99 HydrophobicContact CD2-CB 4.31Å; Y85-F99 AromaticContact CD2-CD2 3.76Å; Y85-F99 HydrophobicContact CD2-CD2 3.76Å; Y85-F99 HydrophobicContact CD2-CG 4.46Å; Y85-F99 HydrophobicContact CE1-CB 4.26Å; Y85-F99 HydrophobicContact CE2-CB 4.01Å; Y85-F99 HydrophobicContact CE2-CD2 4.31Å; Y85-F99 AromaticContact CG-CD2 3.76Å; Y85-F99 HydrophobicContact CG-CD2 3.76Å; Y85-F99 HydrophobicContact CG-CE2 4.35Å; Y85-F99 HydrophobicContact CG-CG 4.44Å; F99-I101 HydrophobicContact CD1-CD1 4.31Å; F99-I101 HydrophobicContact CD1-CG1 4Å; F99-I101 HydrophobicContact CE1-CG1 4.32Å; F99-I101 PolarHBondContact O-N 3.43Å
100	P	96.6	Very high	95.4	Very high	94 Å²	94	92.7 Å²	92.7	61%	0.61	52%	0.517	S	S	*	.			trans	-68.9	126.3	-169.7	26.5	-34.9	0	0	0	110.6	K78 E98	K78-P100 WeakPolarHBondContact CE-O 3.47Å; K78-P100 PolarHBondContact NZ-O 3.06Å; E98-P100 WeakPolarHBondContact O-CD 3.37Å
101	I	96.7	Very high	95.6	Very high	82 Å²	82	94.9 Å²	94.9	42%	0.421	52%	0.523	S	S	.	.			trans	-115.4	126.5	176.1	-62.2	166.6	0	0	0	107.9	F99 I105 L109	F99-I101 HydrophobicContact CD1-CD1 4.31Å; F99-I101 HydrophobicContact CD1-CG1 4Å; F99-I101 HydrophobicContact CE1-CG1 4.32Å; F99-I101 PolarHBondContact O-N 3.43Å; I101-I105 HydrophobicContact CG2-CG1 4.22Å; I101-L109 HydrophobicContact CD1-CD2 3.91Å; I101-L109 HydrophobicContact CG1-CD2 3.93Å; I101-L109 HydrophobicContact CG2-CD2 3.83Å
102	A	95.9	Very high	95.8	Very high	44 Å²	44	87.4 Å²	87.4	36%	0.364	48%	0.484	S	S	.	.			trans	-71.6	132.1	176.8	0	0	0	0	0	109.3	E104 I105 S106	A102-E104 WeakPolarHBondContact CB-OE2 3.19Å; A102-E104 PolarHBondContact O-N 3.44Å; A102-I105 HydrophobicContact CB-CG1 4.24Å; A102-I105 WeakPolarHBondContact O-CG1 3.42Å; A102-I105 PolarHBondContact O-N 2.76Å; A102-I105 VanDerWaalsContact O-N 3.07Å; A102-S106 PolarHBondContact O-N 2.88Å; A102-S106 PolarHBondContact O-OG 2.98Å
103	P	96.5	Very high	96	Very high	106 Å²	106	87.2 Å²	87.2	69%	0.688	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-52.4	-32.9	-178.2	-28.2	35.5	0	0	0	114	I105 S106	P103-I105 VanDerWaalsContact C-N 3.26Å; P103-I105 PolarHBondContact O-N 3.47Å; P103-S106 WeakPolarHBondContact CA-OG 3.36Å; P103-S106 PolarHBondContact O-N 3.02Å; P103-S106 PolarHBondContact O-OG 3.31Å
104	E	96.1	Very high	96.2	Very high	150 Å²	150	87.7 Å²	87.7	70%	0.701	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-65.4	-27.1	-177	-59.3	74.5	-161.2	0	0	112.9	A102	A102-E104 WeakPolarHBondContact CB-OE2 3.19Å; A102-E104 PolarHBondContact O-N 3.44Å
105	I	96.8	Very high	96.3	Very high	28 Å²	28	88.6 Å²	88.6	14%	0.144	47%	0.471	C	S	.	.	G	3₁₀ helix	trans	-106.9	-3.3	-178	69.8	167.8	0	0	0	112.9	K78 I101 A102 P103 L107 E108 L109	K78-I105 HydrophobicContact CB-CD1 4.13Å; K78-I105 HydrophobicContact CG-CD1 3.98Å; I101-I105 HydrophobicContact CG2-CG1 4.22Å; A102-I105 HydrophobicContact CB-CG1 4.24Å; A102-I105 WeakPolarHBondContact O-CG1 3.42Å; A102-I105 PolarHBondContact O-N 2.76Å; A102-I105 VanDerWaalsContact O-N 3.07Å; P103-I105 VanDerWaalsContact C-N 3.26Å; P103-I105 PolarHBondContact O-N 3.47Å; I105-L107 PolarHBondContact O-N 3.24Å; I105-E108 PolarHBondContact O-N 2.98Å; I105-L109 VanDerWaalsContact O-CB 3.25Å; I105-L109 WeakPolarHBondContact O-CB 3.23Å; I105-L109 PolarHBondContact O-N 3.28Å
106	S	96.8	Very high	96.5	Very high	49 Å²	49	79.8 Å²	79.8	34%	0.343	43%	0.43	S	S	.	.	H	α-helix	trans	-58.1	-42.6	-169.2	-68.7	0	0	0	0	113.6	A102 P103 L110	A102-S106 PolarHBondContact O-N 2.88Å; A102-S106 PolarHBondContact O-OG 2.98Å; P103-S106 WeakPolarHBondContact CA-OG 3.36Å; P103-S106 PolarHBondContact O-N 3.02Å; P103-S106 PolarHBondContact O-OG 3.31Å; S106-L110 WeakPolarHBondContact O-CB 3.25Å; S106-L110 PolarHBondContact O-N 3.01Å
107	L	97.1	Very high	96.5	Very high	134 Å²	134	80.8 Å²	80.8	70%	0.702	44%	0.436	S	S	*	.	H	α-helix	trans	-70.4	-45.3	-179.1	-67.5	177.7	0	0	0	111.7	I105 L109 L110 M111	I105-L107 PolarHBondContact O-N 3.24Å; L107-L109 VanDerWaalsContact C-N 3.34Å; L107-L110 PolarHBondContact O-N 3.32Å; L107-M111 WeakPolarHBondContact O-CG 3.29Å; L107-M111 PolarHBondContact O-N 3.3Å
108	E	96.7	Very high	96.3	Very high	76 Å²	76	79.8 Å²	79.8	36%	0.355	43%	0.43	S	S	.	.	H	α-helix	trans	-64.4	-40.8	177.6	-66.2	179.1	-123.4	0	0	111.6	H74 V75 I105 L110 M111 A112	H74-E108 IonicContact CE1-OE2 3.83Å; H74-E108 IonicContact NE2-OE2 3.65Å; V75-E108 HydrophobicContact CG2-CB 3.63Å; I105-E108 PolarHBondContact O-N 2.98Å; E108-L110 VanDerWaalsContact C-N 3.34Å; E108-L110 PolarHBondContact O-N 3.25Å; E108-M111 HydrophobicContact CB-CE 4.43Å; E108-M111 HydrophobicContact CG-CE 4.14Å; E108-M111 PolarHBondContact O-N 3.26Å; E108-A112 WeakPolarHBondContact O-CB 3.39Å; E108-A112 PolarHBondContact O-N 3.03Å
109	L	97.5	Very high	96.3	Very high	17 Å²	17	74.6 Å²	74.6	9%	0.089	41%	0.409	C	S	.	.	H	α-helix	trans	-64	-39.1	175.6	-173.1	62.6	0	0	0	111.9	V75 K78 V79 I101 I105 L107 A112 A113	V75-L109 HydrophobicContact CG1-CD1 4.17Å; K78-L109 HydrophobicContact CB-CD1 4.1Å; K78-L109 HydrophobicContact CB-CD2 4.49Å; K78-L109 HydrophobicContact CG-CD1 4.15Å; K78-L109 HydrophobicContact CG-CD2 3.72Å; V79-L109 HydrophobicContact CG2-CD1 3.72Å; I101-L109 HydrophobicContact CD1-CD2 3.91Å; I101-L109 HydrophobicContact CG1-CD2 3.93Å; I101-L109 HydrophobicContact CG2-CD2 3.83Å; I105-L109 VanDerWaalsContact O-CB 3.25Å; I105-L109 WeakPolarHBondContact O-CB 3.23Å; I105-L109 PolarHBondContact O-N 3.28Å; L107-L109 VanDerWaalsContact C-N 3.34Å; L109-A112 PolarHBondContact O-N 3.46Å; L109-A113 VanDerWaalsContact O-CB 3.28Å; L109-A113 WeakPolarHBondContact O-CB 3.33Å; L109-A113 PolarHBondContact O-N 3.4Å
110	L	97.4	Very high	96.3	Very high	119 Å²	119	76.2 Å²	76.2	62%	0.623	42%	0.42	S	S	*	.	H	α-helix	trans	-63.7	-44.1	174.9	178.3	63.9	0	0	0	111.8	S106 L107 E108 A113 N114	S106-L110 WeakPolarHBondContact O-CB 3.25Å; S106-L110 PolarHBondContact O-N 3.01Å; L107-L110 PolarHBondContact O-N 3.32Å; E108-L110 VanDerWaalsContact C-N 3.34Å; E108-L110 PolarHBondContact O-N 3.25Å; L110-A113 PolarHBondContact O-N 3.38Å; L110-N114 WeakPolarHBondContact O-CB 3.29Å; L110-N114 PolarHBondContact O-N 3.24Å
111	M	97.1	Very high	96.3	Very high	125 Å²	125	75.2 Å²	75.2	62%	0.616	41%	0.409	S	S	*	.	H	α-helix	trans	-62.9	-44.5	176.3	-68.4	-173.9	-64.5	0	0	111.4	L107 E108 N114 F115	L107-M111 WeakPolarHBondContact O-CG 3.29Å; L107-M111 PolarHBondContact O-N 3.3Å; E108-M111 HydrophobicContact CB-CE 4.43Å; E108-M111 HydrophobicContact CG-CE 4.14Å; E108-M111 PolarHBondContact O-N 3.26Å; M111-N114 PolarHBondContact O-N 3.07Å; M111-F115 PolarHBondContact O-N 3.33Å
112	A	97.1	Very high	96.2	Very high	6 Å²	6	74.8 Å²	74.8	5%	0.05	41%	0.409	C	S	.	.	H	α-helix	trans	-62.4	-43.6	175.5	0	0	0	0	0	111.9	I71 V75 V79 E108 L109 N114 F115 L116	I71-A112 HydrophobicContact CD1-CB 4.11Å; I71-A112 HydrophobicContact CG1-CB 4.41Å; I71-A112 HydrophobicContact CG2-CB 4.41Å; V75-A112 HydrophobicContact CG1-CB 3.79Å; V79-A112 HydrophobicContact CG2-CB 4.39Å; E108-A112 WeakPolarHBondContact O-CB 3.39Å; E108-A112 PolarHBondContact O-N 3.03Å; L109-A112 PolarHBondContact O-N 3.46Å; A112-N114 PolarHBondContact O-N 3.07Å; A112-F115 PolarHBondContact O-N 3.29Å; A112-L116 VanDerWaalsContact O-CB 3.28Å; A112-L116 WeakPolarHBondContact O-CB 3.2Å; A112-L116 VanDerWaalsContact O-CG 3.23Å; A112-L116 WeakPolarHBondContact O-CG 3.1Å; A112-L116 PolarHBondContact O-N 3.21Å
113	A	96.5	Very high	96.3	Very high	30 Å²	30	76.8 Å²	76.8	25%	0.248	41%	0.412	C	S	.	.	H	α-helix	trans	-62.7	-42	178.2	0	0	0	0	0	112.1	L109 L110 L116 D117	L109-A113 VanDerWaalsContact O-CB 3.28Å; L109-A113 WeakPolarHBondContact O-CB 3.33Å; L109-A113 PolarHBondContact O-N 3.4Å; L110-A113 PolarHBondContact O-N 3.38Å; A113-L116 PolarHBondContact O-N 2.64Å; A113-D117 PolarHBondContact O-N 3.47Å
114	N	96.1	Very high	96.2	Very high	139 Å²	139	74.8 Å²	74.8	74%	0.743	39%	0.393	S	S	*	.	H	α-helix	trans	-63.1	-41.5	175.1	-179.7	81.5	0	0	0	112.2	L110 M111 A112	L110-N114 WeakPolarHBondContact O-CB 3.29Å; L110-N114 PolarHBondContact O-N 3.24Å; M111-N114 PolarHBondContact O-N 3.07Å; A112-N114 PolarHBondContact O-N 3.07Å
115	F	95.7	Very high	96.3	Very high	102 Å²	102	69.4 Å²	69.4	45%	0.447	37%	0.371	S	S	.	.	H	α-helix	trans	-67.6	-40.4	176	171.6	-103.2	0	0	0	112.6	T47 F68 I71 M111 A112 D117	T47-F115 HydrophobicContact CG2-CE1 4.2Å; T47-F115 HydrophobicContact CG2-CZ 4.11Å; T47-F115 PolarHBondContact OG1-O 2.8Å; F68-F115 HydrophobicContact CD1-CE1 4.14Å; F68-F115 HydrophobicContact CE1-CE1 4.15Å; I71-F115 HydrophobicContact CD1-CD1 4.26Å; M111-F115 PolarHBondContact O-N 3.33Å; A112-F115 PolarHBondContact O-N 3.29Å; F115-D117 VanDerWaalsContact C-N 3.33Å
116	L	96	Very high	96.2	Very high	0 Å²	0	72.6 Å²	72.6	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-81.9	-9.8	-176.2	-67.9	175.3	0	0	0	113.7	S45 G46 T47 I48 F68 I71 V79 A112 A113	S45-L116 WeakPolarHBondContact CA-O 2.93Å; S45-L116 VanDerWaalsContact CB-O 3.27Å; S45-L116 WeakPolarHBondContact CB-O 3.42Å; S45-L116 PolarHBondContact OG-O 2.82Å; G46-L116 PolarHBondContact N-O 3.33Å; T47-L116 PolarHBondContact N-O 2.83Å; I48-L116 HydrophobicContact CD1-CD2 4.32Å; I48-L116 HydrophobicContact CG1-CD2 4.16Å; F68-L116 HydrophobicContact CD1-CD2 4.34Å; F68-L116 HydrophobicContact CE1-CD2 3.45Å; F68-L116 VanDerWaalsContact CE1-CD2 3.45Å; F68-L116 HydrophobicContact CZ-CD2 3.74Å; I71-L116 HydrophobicContact CD1-CD1 4.08Å; I71-L116 HydrophobicContact CD1-CD2 4.39Å; I71-L116 HydrophobicContact CD1-CG 4.26Å; V79-L116 HydrophobicContact CB-CD1 4.4Å; V79-L116 HydrophobicContact CG1-CD1 3.5Å; V79-L116 HydrophobicContact CG2-CD1 4.09Å; A112-L116 VanDerWaalsContact O-CB 3.28Å; A112-L116 WeakPolarHBondContact O-CB 3.2Å; A112-L116 VanDerWaalsContact O-CG 3.23Å; A112-L116 WeakPolarHBondContact O-CG 3.1Å; A112-L116 PolarHBondContact O-N 3.21Å; A113-L116 PolarHBondContact O-N 2.64Å
117	D	95.6	Very high	96.2	Very high	111 Å²	111	74.6 Å²	74.6	59%	0.594	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	60.8	-178.1	-173.8	38.2	0	0	0	111.5	G46 A113 F115	G46-D117 PolarHBondContact N-O 2.84Å; G46-D117 VanDerWaalsContact N-O 3.08Å; A113-D117 PolarHBondContact O-N 3.47Å; F115-D117 VanDerWaalsContact C-N 3.33Å
118	C	91.4	Very high	96.1	Very high	36 Å²	36	69.2 Å²	69.2	24%	0.243	36%	0.364	C	S	.	.			trans	-139.1	0	-175.1	69.1	0	0	0	0	114.8	Y82 F83 K86	Y82-C118 HydrophobicContact CE1-CB 4.04Å; Y82-C118 VanDerWaalsContact CE1-OXT 3.29Å; Y82-C118 WeakPolarHBondContact CE1-OXT 3.49Å; Y82-C118 PolarHBondContact OH-OXT 3.32Å; F83-C118 HydrophobicContact CE1-CB 4.02Å; K86-C118 PolarHBondContact NZ-OXT 3Å

Retrieved 118 of 118 residues in 24.1 ms (Link to these results)

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